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STK590650
Synonyms: (4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK590653
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
Smiles: COc1cc2CCN(Cc2cc1OC)CC(=O)Nc1cc(C)c(cc1[N+](=O)[O-])C

STK590654
Synonyms: N-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1ccncc1

STK590655
Synonyms: 2-[(3a'S,6a'R)-5-bromo-5'-(2-methoxyethyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(Br)cc2

STK590656
Synonyms: 1-(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)-3-phenylthiourea
Smiles: S=C(Nc1ccccc1)Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C

STK590658
Synonyms: 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(CC(CC2=N1)(C)C)O)c1ccc(c(c1)OC)OC

STK590659
Synonyms: 1'-hexyl-15,16-dihydro-2'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone
Smiles: CCCCCCN1C(=O)NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2

STK590663
Synonyms: 1,7-dimethyl-3-(3-phenylpropyl)-8-(prop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: C=CCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCCc1ccccc1

STK590665
Synonyms: 2,4-dichloro-N-[(1Z)-1-{1-cyano-2-[(2-methylpropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1Cl)Cl)/C(=O)NCC(C)C

STK590666
Synonyms: methylN-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)c1nc2c(s1)cccc2

STK590667
Synonyms: 2-{5-[(naphthalen-1-ylmethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
Smiles: c1ccc(cc1)n1c(SCc2cccc3c2cccc3)nnc1c1ccccn1

STK590669
Synonyms: (4E)-5-(4-bromophenyl)-1-butyl-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)Br

STK590670
Synonyms: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CNc2ccccc2C(=O)N)c2nonc2N)ccc1O

STK590671
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK590672
Synonyms: (2S)-N-(2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: COc1cc(OC)ccc1NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C(C)C

STK590673
Synonyms: (4E)-1-(3-chloro-4-methylphenyl)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: O/C(=C/1\C(c2ccccc2F)N(C(=O)C1=O)c1ccc(c(c1)Cl)C)/c1ccccc1

STK590674
Synonyms: N-[(2Z)-3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: COc1ccc(cc1)CN1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK590675
Synonyms: methylN-[(2-fluorophenyl)carbamoyl]-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccccc1F)C

STK590676
Synonyms: (3a'S,6a'R)-5'-tert-butyl-5-fluoro-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(F)cc1

STK590677
Synonyms: 6-(3,4-dimethoxyphenyl)-9-(furan-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1OC)C1CC(=C2C(=Nc3n(C2c2ccco2)ncn3)C1)O

STK590678
Synonyms: 2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2nccs2)c2c(n1)CC(OC2)(C)C

STK590679
Synonyms: 1-tert-butyl4-(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)piperidine-1,4-dicarboxylate
Smiles: Cc1cc(OC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)c2c(c1)oc(=O)c(c2C)C

STK590680
Synonyms: 2-chloro-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C(Cl)C

STK590681
Synonyms: 7-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)/C1=O

STK590684
Synonyms: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2)COc1ccccc1

STK590685
Synonyms: 8-(4-ethoxyphenyl)-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)OCC

STK590686
Synonyms: 4-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1c(O)ccc2c1cccc2

STK590687
Synonyms: 7'-({(Z)-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)c1ccccc1C

STK590688
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NCCC1=CCCCC1

STK590690
Synonyms: N-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-L-leucyl-D-leucine
Smiles: CC(C[C@@H](C(=O)N[C@@H](C(=O)O)CC(C)C)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C

STK590692
Synonyms: 2-(4-fluorophenyl)-4-hydroxy-1-phenyl-6-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Smiles: N#CC1=C(S)N(C(N=C1O)c1ccc(cc1)F)c1ccccc1

STK590693
Synonyms: N-(4-bromophenyl)-2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Br)nnc1c1ccccc1Cl

STK590694
Synonyms: (5E)-5-{1-[(3-fluorophenyl)amino]ethylidene}-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2cccc(c2)F)/C)/C1=O)O

STK590696
Synonyms: 6-(2-hydroxyphenyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Oc1ccccc1C1CC(=C2C(=Nc3n(C2c2ccccc2)ncn3)C1)O

STK590697
Synonyms: 4-{[bis(2-methylpropyl)ammonio]methyl}-8-methyl-2-oxo-2H-chromen-7-olate
Smiles: CC(C[NH+](Cc1cc(=O)oc2c1ccc(c2C)[O-])CC(C)C)C

STK590698
Synonyms: 1'-(4-fluorophenyl)-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)NC(=O)N(C1=O)c1ccc(cc1)F

STK590699
Synonyms: N-[(2Z)-3-(3,5-dichlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: Clc1cc(Cl)cc(c1)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK590700
Synonyms: (2E)-N-{[(2Z)-4-(naphthalen-1-yl)-1,3-thiazol-2(3H)-ylidene]carbamothioyl}-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Smiles: O=C(NC(=S)/N=c/1\scc([nH]1)c1cccc2c1cccc2)/C=C/c1ccc(cc1)C(C)C

STK590703
Synonyms: 7'-({(Z)-[4-hydroxy-1-(2-methoxyethyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H
Smiles: COCCN1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK590704
Synonyms: 7-(2-chlorobenzyl)-6-hydroxy-3-methyl-8-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)CN1CCN(CC1)c1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C

STK590705
Synonyms: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2,2-diphenylacetamide
Smiles: COc1ccc2c(c1)[nH]cc2CCNC(=O)C(c1ccccc1)c1ccccc1

STK590707
Synonyms: 2-(4-bromophenyl)-3-(6-phenoxyhexyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccccc1

STK590709
Synonyms: N-[2-(furan-2-yl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1cc(O)nc2n1nc(n2)c1ccco1

STK590711
Synonyms: methyl{2-[(3-bromobenzyl)amino]-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)NCc1cccc(c1)Br

STK590712
Synonyms: (4Z)-4-[(1,3-benzothiazol-2-ylamino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)/C(=C\Nc2nc3c(s2)cccc3)/c2c(C1=O)cccc2

STK590715
Synonyms: N'-{(E)-[2-hydroxy-4,6-dioxo-1-(2,4,6-trimethylphenyl)-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: Cc1cc(C)c(c(c1)C)N1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)O

STK590716
Synonyms: 5-(2-ethyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-2,6-dihydroxy-3-(2,4,6-trimethylphenyl)pyrimidin-4(3H)-one
Smiles: CCN1CCc2c(C1c1c(O)nc(n(c1=O)c1c(C)cc(cc1C)C)O)[nH]c1c2cccc1

STK590717
Synonyms: (2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1OC)OC)/C2=O)CCOC

STK590719
Synonyms: 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Cc1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)NCCc1c[nH]c2c1cccc2

STK590721
Synonyms: 2-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)c1ccc(cc1Cl)Cl

STK590724
Synonyms: (2'S,3R,3'S,7a'S)-6''-chloro-7''-methyl-2'-[(3-nitrophenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: [O-][N+](=O)c1cccc(c1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2ccc(c3C)Cl)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2

STK590725
Synonyms: N-(3-chlorophenyl)-2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Cl)nnc1c1cccc(c1)Cl

STK590726
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(furan-2-ylmethyl)-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccco1)/O

STK590727
Synonyms: 4-bromo-N'-[(E)-(6-hydroxy[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]benzohydrazide
Smiles: Brc1ccc(cc1)C(=O)N/N=C/c1cc2cc3OCOc3cc2nc1O

STK590728
Synonyms: 6-oxo-6H-benzo[c]chromen-3-ylN-(tert-butoxycarbonyl)-5-methyl-L-norleucinate
Smiles: CC(CC[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1c2cccc1)NC(=O)OC(C)(C)C)C

STK590731
Synonyms: N-(2-tert-butylphenyl)-2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C(C)(C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK590732
Synonyms: 6-[(2E)-2-(4-chlorobenzylidene)-1-ethylhydrazinyl]-2-hydroxy-3-methylpyrimidin-4(3H)-one
Smiles: CCN(c1cc(=O)n(c(n1)O)C)/N=C/c1ccc(cc1)Cl

STK590735
Synonyms: N-(2,5-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK590736
Synonyms: (4Z)-6-[(4-benzylpiperazin-1-yl)methyl]-4-[(3-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Cc1cccc(c1)/N=c\1/[nH]c(CN2CCN(CC2)Cc2ccccc2)nc(n1)N

STK590738
Synonyms: 7-(4-fluorobenzyl)-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK590739
Synonyms: 3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2)/C1=O

STK590740
Synonyms: methylN-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1cc(C)cc(c1)C

STK590741
Synonyms: 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK590743
Synonyms: 4-methyl-1'-phenyl-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CN1CC2(Cc3c1ccc1c3cccc1)C(=O)NC(=O)N(C2=O)c1ccccc1

STK590744
Synonyms: 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1Cl)Cl

STK590745
Synonyms: 9-(5-methyl-1,2-oxazol-3-yl)-8-(pyridin-4-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccncc1)c(=O)c1c(o2)c2ccccc2cc1

STK590746
Synonyms: 1-(2-chloro-6-fluorobenzyl)pyridin-2(1H)-one
Smiles: Fc1cccc(c1Cn1ccccc1=O)Cl

STK590748
Synonyms: (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O)S

STK590749
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-methoxyphenyl)carbonyl]-2'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK590751
Synonyms: N-(2-cyanoethyl)-5-fluoro-N-methyl-1H-indole-2-carboxamide
Smiles: N#CCCN(C(=O)c1cc2c([nH]1)ccc(c2)F)C

STK590753
Synonyms: (3-{5-chloro-4-[(3-hydroxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)aceticacid
Smiles: OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1cccc(c1)O

STK590755
Synonyms: 2-{5-[(4-bromobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: Brc1ccc(cc1)CSc1nnc(n1c1ccccc1)c1nccnc1

STK590756
Synonyms: N-[4-(acetylamino)phenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C

STK590757
Synonyms: 2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK590760
Synonyms: N-(3,4-dimethoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)OC)OC)nnc1c1ccccn1

STK590761
Synonyms: (1'R,2'R)-1'-[(4-chlorophenyl)carbonyl]-2'-(3-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cccc(c1)[C@H]1[C@H](C(=O)c2ccc(cc2)Cl)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK590764
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dichlorophenyl)-6-methyl-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C

STK590765
Synonyms: 3,4,5-trimethoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1

STK590766
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK590768
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@@H]1ON=C2c1ccccc1Cl

STK590769
Synonyms: 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl

STK590773
Synonyms: (3R,3'S,3a'S,6a'R)-3'-(propan-2-yl)-5'-[3-(trifluoromethyl)phenyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC([C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)C(F)(F)F)C(=O)Nc1c2cccc1)C

STK590774
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethanone
Smiles: Cc1ccc(cc1)c1nc(SCC(=O)c2ccccc2)c2c(n1)CC(OC2)(C)C

STK590777
Synonyms: 3-{[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=C/N=c/1\sc2c([nH]1)cccc2

STK590778
Synonyms: propyl[4-(dimethylamino)phenyl]{[4-(dimethylamino)phenyl](phenylamino)methyl}phosphinate
Smiles: CCCOP(=O)(C(c1ccc(cc1)N(C)C)Nc1ccccc1)c1ccc(cc1)N(C)C

STK590779
Synonyms: (1'S,3R,3'S,7a'S)-5''-chloro-1'-[(4-fluorophenyl)carbonyl]-7''-methyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C

STK590780
Synonyms: 5-methyl-6-pentyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCCCc1c(C)nc2n(c1O)nc(n2)C(F)(F)F

STK590783
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-methoxypropyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(o1)C

STK590784
Synonyms: N-[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-methoxypropanamide
Smiles: COCCC(=O)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)CC

STK590785
Synonyms: (2'S,3R,7a'S)-7-chloro-N-(4-methoxyphenyl)-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cccc1Cl)CCC2

STK590786
Synonyms: 5-chloro-N-(2,3-dimethoxybenzyl)-N-(prop-2-en-1-yl)-1H-indole-2-carboxamide
Smiles: C=CCN(C(=O)c1cc2c([nH]1)ccc(c2)Cl)Cc1cccc(c1OC)OC

STK590787
Synonyms: 9-chloro-2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1cccc(c1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)Cl)Cl

STK590789
Synonyms: 2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1COc1ccc(cc1)C

STK590790
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: O=C([C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)Nc1ccc2c(c1)OCCO2

STK590791
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1CC)COc1ccc(cc1)Cl

STK590792
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methylphenyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)N(S(=O)(=O)c1ccccc1)Cc1cc2ccc(cc2[nH]c1=O)C

STK590793
Synonyms: 2-fluoro-N-[(3Z)-6-methoxy-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CCCn1[nH]/c(=N\C(=O)c2ccccc2F)/c2c1nc1ccc(cc1c2)OC

STK590795
Synonyms: 3-(furan-2-ylmethyl)-2-[(4-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK590798
Synonyms: 7-(4-bromobenzyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C

STK590800
Synonyms: 5-[4-(dimethylamino)phenyl]-4-{[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)N(C)C

STK590801
Synonyms: (3R)-2,2-dimethyl-N-{(2S)-1-[(4-methylbenzyl)amino]-1-oxopropan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK590804
Synonyms: 5-formyl-1,4-dimethyl-2-oxo-6-(piperidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
Smiles: O=Cc1c(N2CCCCC2)n(C)c(=O)c(c1C)C#N

STK590805
Synonyms: 5-hydroxy-3-(4-methoxybenzyl)-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1ccc(cc1)CN1C(=NC(C1=O)(O)C(F)(F)F)c1ccccc1

STK590806
Synonyms: 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STK590808
Synonyms: 1-{[1,3-dimethyl-2,6-dioxo-7-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Smiles: CC(=O)Cn1c(CN2CCC(CC2)C(=O)N)nc2c1c(=O)n(c(=O)n2C)C

STK590809
Synonyms: 3-(butan-2-yl)-11-(2,5-dichlorophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCC(n1cnc2c(c1=O)c1nc3ccccc3nc1n2c1cc(Cl)ccc1Cl)C

STK590810
Synonyms: 7-chloro-1-(2,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1cc(OC)ccc1OC)c(=O)c1c(o2)ccc(c1)Cl

STK590811
Synonyms: 1-(4-chlorophenyl)-2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK590812
Synonyms: N-(pyridin-3-ylmethyl)-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(NCc1cccnc1)COc1ccc2c(c1C)oc(=O)c(c2C)C

STK590814
Synonyms: N-[(2Z)-3-(4-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: Clc1ccc(cc1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK590815
Synonyms: 6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)Cn1c(NCCCN2CCOCC2)nc2c1c(O)nc(=O)n2C

STK590816
Synonyms: 2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: C=CCn1c(SCc2nc3c([nH]2)cccc3)nnc1c1cccc(c1)OC

STK590817
Synonyms: N-(2-methoxyethyl)-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: COCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK590819
Synonyms: (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK590821
Synonyms: (4E)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK590823
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethanone
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)N1CCOCC1

STK590824
Synonyms: 2-(2-oxo-5a,11b-dihydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-3(6H)-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Cn1c(=O)sc2c1SCC1C2c2ccccc2OC1)Nc1cccc(c1)C(F)(F)F

STK590825
Synonyms: 4-hydroxy-2-oxo-1-propyl-N'-[(E)-pyridin-3-ylmethylidene]-1,2-dihydroquinoline-3-carbohydrazide
Smiles: CCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(c2c1cccc2)O

STK590827
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-7-(2-hydroxy-2-phenylethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(c1ccccc1)O)c(O)nc(=O)n2C

STK590828
Synonyms: (3a'S,6a'R)-5'-(4-fluorobenzyl)-3'-(1-hydroxyethyl)-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cccc2C

STK590829
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: O=C(/N=c/1\sc2c([nH]1)cccc2)CCn1cnc2c(c1=O)cccc2

STK590830
Synonyms: 2-(4-ethylpiperazin-1-yl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCN1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1ccccc1)CCCCC3

STK590831
Synonyms: 9-bromo-2,5-bis(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1cccc(c1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1cccc(c1)OC

STK590832
Synonyms: benzyl{[3-cyano-6-hydroxy-4-(4-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)N=C(CC1c1ccc(cc1)[N+](=O)[O-])O

STK590833
Synonyms: N'-{(1E)-1-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}pyridine-4-carbohydrazide
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NNC(=O)c2ccncc2)/C)/C1=O)O

STK590835
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK590836
Synonyms: (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1Cl

STK590837
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK590838
Synonyms: 8-cyclohexyl-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1c(n2)n(c(c1C)C)C1CCCCC1)C

STK590840
Synonyms: 2-[(2,6-dimethylphenoxy)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1cccc(c1OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)C

STK590842
Synonyms: N-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-L-asparticacid
Smiles: O=C(C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)N[C@H](C(=O)O)CC(=O)O

STK590843
Synonyms: (2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-(pyridin-3-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3)c1ccc2c(c1)OCO2

STK590845
Synonyms: 4-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]-2-ethoxyphenol
Smiles: CCOc1cc(/C=N/N=c/2\[nH]c3c([nH]2)cccc3)ccc1O

STK590846
Synonyms: 5-ethoxy-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: CCOc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1ccccc1OC

STK608132
Synonyms:
Smiles: CCC([C@@H](C(=O)N1CCCCC1)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1)C

STK618604
Synonyms:
Smiles: CCn1nc(c(c1C)[I]c1ccccc1)C

STK641110
Synonyms:
Smiles: CCC([C@@H](C(=O)NCc1ccco1)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)OC)C

STK591241
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NC1CCN(CC1)Cc1ccccc1)C

STK662466
Synonyms:
Smiles: O=S(=O)(c1cccc2c1nsn2)N1CCN(CC1)c1ccccc1

STK593377
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NCc1cccnc1)C

STK675653
Synonyms:
Smiles: Fc1ccccc1[C@@H]1N=C([C@H]2N1C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK563542
Synonyms:
Smiles: CCOC(=O)c1c(sc2c1CCCC2)NC(=O)C1CCCN1S(=O)(=O)c1cccc2c1nsn2

STK586912
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)Nc1ccc(cc1)Cl)C

STK616001
Synonyms:
Smiles: CCC([C@@H](C(=O)NCC1CCCO1)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1)C

STK607921
Synonyms:
Smiles: CCC([C@@H](C(=O)N1CCN(CC1)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C

STK784846
Synonyms:
Smiles: Brc1ccc(c(c1)/C=N/NP(=O)(Oc1cccc(c1C)C)Oc1cccc(c1C)C)O

STK594226
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)Nc1ccc(cc1OC)OC)C

STK602667
Synonyms:
Smiles: CCC([C@@H](C(=O)NCc1ccc2c(c1)OCO2)NC(=O)N1CC(=Nc2c1cccc2)O)C

STK784848
Synonyms:
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/NP(=O)(Oc1cccc(c1C)C)Oc1cccc(c1C)C

STK615318
Synonyms:
Smiles: CCC([C@@H](C(=O)Nc1cccc(c1)OC)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK672569
Synonyms:
Smiles: Oc1ccc(c(c1)O)/C=N/NP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C

STK593217
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccc(c(c1)OC)OC)C

STK644008
Synonyms:
Smiles: Clc1ccc(cc1Cl)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STK585330
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1C)NC(=O)OC(C)(C)C)C

STK737631
Synonyms:
Smiles: c1ccc2c(c1)c(ncn2)SCc1ccc2c(c1)nsn2

STL357299
Synonyms: 4-amino-5-[(5-bromothiophen-2-yl)carbonyl]-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
Smiles: C=CCNc1sc(c(c1C#N)N)C(=O)c1ccc(s1)Br

STK590847
Synonyms: methyl{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Smiles: COC(=O)Cn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK590848
Synonyms: 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
Smiles: N#Cc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1c(n2)CCN(C1)C(=O)C)C(F)(F)F

STK590849
Synonyms: 5-(4-ethoxyphenyl)-4-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)C

STK590850
Synonyms: (2Z)-2-(2-bromobenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2ccccc2Br)/Oc2c1ccc(c2C[NH+]1CCOCC1)[O-]

STK590851
Synonyms: 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCN(c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC)CC

STK590852
Synonyms: 5-(3-chlorophenyl)-4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)N(C)C

STK590854
Synonyms: N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCCCC1)C

STK590855
Synonyms: 3-(3-chlorophenyl)-4-(4-methylphenyl)-5-[(naphthalen-1-ylmethyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2cccc3c2cccc3)nnc1c1cccc(c1)Cl

STK590857
Synonyms: 3-chloro-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
Smiles: CC(CN(C(=O)c1cccc(c1)Cl)Cc1cc2cccc(c2[nH]c1=O)C)C

STK590858
Synonyms: 2-(4-ethoxyphenyl)-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C

STK590860
Synonyms: 1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/C1=Cc3c(OC1)cccc3)c1ccccc1n2

STK590861
Synonyms: 2-(ethylsulfanyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1[N+](=O)[O-]

STK590862
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK590863
Synonyms: N,N-dibutyl-2-{[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C)CCCC

STK590864
Synonyms: (3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-3'-(1H-indol-3-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)Cc1c[nH]c3c1cccc3)C(=O)N2

STK590865
Synonyms: 1-(4-ethylphenyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2ccccc2)n2c3c1CCCCn3c(c2)c1ccccc1

STK590866
Synonyms: 5-(2-methoxyphenyl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccccc1C(F)(F)F

STK590867
Synonyms: (5E)-6-hydroxy-5-{[(3-hydroxyphenyl)amino]methylidene}-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: Oc1cccc(c1)N/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O

STK590868
Synonyms: 8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(CN2CCN(CC2)CCO)nc2c1c(=O)n(c(=O)n2C)C

STK590870
Synonyms: 3-[(4-chlorophenoxy)methyl]-5-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(COc2ccc(cc2)Cl)nnc1SCc1ccc(c(c1)Cl)Cl

STK590871
Synonyms: 2-[(3a'S,6a'R)-5'-(2-methoxyethyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cccc2

STK590872
Synonyms: 2,2,5-trimethyl-N-(2-phenylethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCc1ccccc1

STK590873
Synonyms: (3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-5'-(4-methylphenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)C)Cc1ccc(cc1)O)C(=O)N2

STK590874
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-pentyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)CC

STK590875
Synonyms: (3a'S,6a'R)-5'-tert-butyl-5-fluoro-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)C)C(=O)N2

STK590877
Synonyms: 3-[1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)N1CCCC1

STK590878
Synonyms: N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]butanamide
Smiles: CCCC(=O)Nc1c(c2ccccc2)c(=O)c(nn1c1ccc(cc1)Cl)C

STK590879
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)Nc1ccc(cc1)OCc1ccccc1

STK590880
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-3,6-bis(4-chlorophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1O[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK590881
Synonyms: 6-hydroxy-7-(2-hydroxy-2-phenylethyl)-8-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(c1ccccc1)Cn1c(N/N=C(/c2ccccc2O)\C)nc2c1c(O)nc(=O)n2C

STK590882
Synonyms: N-[4-(butan-2-yl)phenyl]-2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl)C

STK590884
Synonyms: 4-(benzyloxy)-N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: O=C(c1ccc(cc1)OCc1ccccc1)NN1C(=S)S/C(=C\c2cccnc2)/C1=O

STK590885
Synonyms: (4E)-2-(5-chloro-2-methylphenyl)-4-{[(pyridin-2-ylmethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1ccc(c(c1)N1C(=O)/C(=C/NCc2ccccn2)/c2c(C1=O)cccc2)C

STK590886
Synonyms: 6-(4-fluorophenyl)-9-(2-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccccc1C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccc(cc1)F

STK590887
Synonyms: 2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cc(Cl)ccc1Cl

STK590888
Synonyms: N-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C)CN1CCc2c(C1)cc1c(c2)OCCCO1

STK590889
Synonyms: 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1C

STK590890
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1cccc(c1)C)O)c(=O)n(c(=O)n2C)C)CC

STK590891
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2OC)OC)nnc1c1ccccc1F

STK590892
Synonyms: N-(4-fluorophenyl)-2-{(2E)-4-hydroxy-2-[(4-hydroxyphenyl)imino]-2,5-dihydro-1,3-thiazol-5-yl}acetamide
Smiles: O=C(CC1S/C(=N/c2ccc(cc2)O)/N=C1O)Nc1ccc(cc1)F

STK590893
Synonyms: methylN-[(3-methoxyphenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cccc(c1)OC

STK590894
Synonyms: N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(4-fluorophenyl)acetamide
Smiles: O=C(/N=C/1\SC2C(N1Cc1ccccc1)CS(=O)(=O)C2)Cc1ccc(cc1)F

STK590895
Synonyms: (3S)-N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CC([C@@H](C(=O)NC1CCCCC1)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK590896
Synonyms: (4E)-5-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2cccc(c2)[N+](=O)[O-])\O)/C(=O)C(=O)N1Cc1ccco1

STK590900
Synonyms: N-[(2E)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-phenylpropanamide
Smiles: COc1cccc(c1)N1/C(=N\C(=O)CCc2ccccc2)/SC2C1CS(=O)(=O)C2

STK590901
Synonyms: 7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)cc(c(c1)Cl)C

STK590902
Synonyms: (3R)-N-butyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CCCCNC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

STK590903
Synonyms: 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: COc1cc(CCN2CCCn3c2nc2c3c(=O)n(c(=O)n2C)CCC(C)C)ccc1OC

STK590904
Synonyms: 2-[(3a'S,6a'R)-5'-(2-chlorobenzyl)-6,7-dimethyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2ccc(c1C)C

STK590906
Synonyms: 6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CCCCCn1nnc2c(c1=O)cccc2

STK590910
Synonyms: 2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Smiles: S=c1[nH]c2ccccc2c2n1nc(n2)c1cccnc1

STK590911
Synonyms: N-(4-acetylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CCn1nnc2c(c1=O)cccc2

STK590912
Synonyms: 7-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: COc1cc(OC)ccc1C1=NOC2(C1)CC(=O)N(C2=O)c1ccc(cc1)Cl

STK590914
Synonyms: 6-(2-methylphenyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(c(c1OC)OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1C

STK590915
Synonyms: 3-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)CC(C)C

STK590916
Synonyms: 2-({5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STK590917
Synonyms: 4-{[4-(ethoxycarbonyl)piperazin-1-ium-1-yl]methyl}-6-ethyl-2-oxo-2H-chromen-7-olate
Smiles: CCOC(=O)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(CC)c(c2)[O-]

STK590918
Synonyms: 4-iodo-N-[(4E)-2-(3-methylphenyl)quinazolin-4(3H)-ylidene]aniline
Smiles: Ic1ccc(cc1)/N=c\1/[nH]c(nc2c1cccc2)c1cccc(c1)C

STK590920
Synonyms: 2,6-dihydroxy-3-(naphthalen-1-yl)-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)pyrimidin-4(3H)-one
Smiles: O=C1OC(c2c1cccc2)c1c(O)nc(n(c1=O)c1cccc2c1cccc2)O

STK590921
Synonyms: 10,10-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCN(CC1)Cc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK590924
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK590926
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK590927
Synonyms: 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C

STK590928
Synonyms: N-(3-chlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK590931
Synonyms: 8-(3-chlorophenyl)-3-ethyl-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl

STK590932
Synonyms: 9-(3,5-dimethylphenyl)-3-heptyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCCCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1cc(C)cc(c1)C

STK590934
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-(3,4-dimethoxyphenyl)-1H-pyrazole-3-carbohydrazide
Smiles: COc1cc(ccc1OC)c1[nH]nc(c1)C(=O)N/N=C/1\C(=O)Nc2c1cc(Br)cc2

STK590935
Synonyms: 2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-9-thiol
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2S)CCCC1

STK590936
Synonyms: 1-[11-(furan-2-yl)-1-hydroxy-3-methyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Smiles: CCC(=O)N1C(c2ccco2)C2=C(O)CC(CC2=Nc2c1cccc2)C

STK590937
Synonyms: 2-hydroxy-4-[(E)-(7-iminio-2-methyl-5-oxo-5H-[1,2]oxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl]phenolate
Smiles: Cc1on2c(=NC(=O)/C(=C/c3ccc(c(c3)O)[O-])/C2=[NH2+])c1

STK590938
Synonyms: 5-(pyridin-2-yl)-4-{[(E)-thiophen-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1cccs1)c1ccccn1

STK590939
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1Cc1cccs1

STK590941
Synonyms: 4-(1,2,5-trimethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: Cc1ccc2c(c1)c(c1csc(n1)N)c(n2C)C

STK590942
Synonyms: 2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)ccc(c1)C

STK590943
Synonyms: 5-(4-methoxybenzyl)-N-[(2E)-6-methoxy-4-methylquinazolin-2(1H)-ylidene]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)CN1CNC(=NC1)/N=c\1/nc(C)c2c([nH]1)ccc(c2)OC

STK590944
Synonyms: 1-(4-fluorophenyl)-2-hydroxy-6-(2-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Fc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK590945
Synonyms: 4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(s1)Br

STK590946
Synonyms: (1Z,2E)-1-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: [O-]/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[NH+]1CCOCC1)/C=C/c1ccccc1

STK590947
Synonyms: (4Z)-6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2)C)/[nH]1

STK590949
Synonyms: (4E)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)-2-phenylisoquinoline-1,3(2H,4H)-dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1

STK590950
Synonyms: 2-chloro-N'-{(1E)-1-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}benzohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NNC(=O)c1ccccc1Cl

STK590952
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1c1cccc(c1)Cl

STK590953
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

STK590954
Synonyms: ethyl(2E)-2-{[4-(2,4-dichlorophenoxy)butanoyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N/C(=O)CCCOc2ccc(cc2Cl)Cl)/[nH]c1C

STK590956
Synonyms: 2-[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)COc1ccc2c(c1)oc(=O)c1c2CCC1

STK590957
Synonyms: 4-{(2E)-2-[4-methoxy-3-(morpholin-4-ylmethyl)benzylidene]hydrazinyl}-5-phenylthieno[2,3-d]pyrimidine
Smiles: COc1ccc(cc1CN1CCOCC1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK590958
Synonyms: 8-(cyclohexylamino)-6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)CCn1c(NC2CCCCC2)nc2c1c(O)nc(=O)n2C

STK590959
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(naphthalen-2-yloxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)C)COc1ccc2c(c1)cccc2

STK590960
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-ylN-[(benzyloxy)carbonyl]glycinate
Smiles: O=C(OCc1ccccc1)NCC(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK590962
Synonyms: N-[4-(3,4-dimethyl-2-oxo-2H,8H-chromeno[8,7-e][1,3]oxazin-9(10H)-yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1COc2c(C1)c1oc(=O)c(c(c1cc2)C)C

STK590963
Synonyms: 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: Cc1ccc2c(c1)cc1c(n2)N2CCOCC2C2(C1)C(=O)N(C)C(=O)N(C2=O)C

STK590965
Synonyms: N-[4-(diethylamino)phenyl]-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)c1ccccc1F)CC

STK590966
Synonyms: 2',2',9-trimethyl-2,3,4,4a-tetrahydro-1H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-[1,3]dioxane]-4',6'-dione
Smiles: Cc1ccc2c(c1)cc1c(n2)N2CCCCC2C2(C1)C(=O)OC(OC2=O)(C)C

STK590967
Synonyms: (3S)-N-{(2S)-1-[(2,4-dimethylphenyl)amino]-3-methyl-1-oxobutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2

STK590969
Synonyms: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1)O

STK590971
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(C)C)nnc1c1cccc(c1)C

STK590973
Synonyms: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1CCC(C)C)c(=O)n(c(=O)n2C)C

STK590974
Synonyms: 2-[(naphthalen-1-ylmethyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: O=c1c2CCCc2nc2n1nc([nH]2)NCc1cccc2c1cccc2

STK590977
Synonyms: N-{5-methoxy-2-methyl-4-[({[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]phenyl}benzamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CSc1nnc(n1C)c1cccc(c1)C)C

STK590978
Synonyms: 4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Br

STK590979
Synonyms: 3-[(4-fluorobenzyl)sulfanyl]-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccc(cc1)C)c(SCc1ccc(cc1)F)nn2

STK590981
Synonyms: (4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

STK590982
Synonyms: 9-(3-methylthiophen-2-yl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2sccc2C)nc(n3)SCc2ccc(cc2)[N+](=O)[O-])CCC1

STK590983
Synonyms: 3-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
Smiles: O=C(Nc1ccc(cc1)C(F)(F)F)CCn1cnc2c(c1=O)cccc2

STK590984
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK590985
Synonyms: N-[(2Z)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1Cc1ccccc1Cl)CS(=O)(=O)C2

STK590986
Synonyms: methyl(2S)-2-[({4-[2-({[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}amino)ethyl]piperazin-1-yl}carbonyl)amino]-3-phenylpropanoate(non-preferredname)
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCN1CCN(CC1)C(=O)N[C@H](C(=O)OC)Cc1ccccc1

STK590987
Synonyms: 3'-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-6'-hydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CCN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC)O

STK590988
Synonyms: 4-butyl-7-methyl-2-oxo-2H-chromen-5-ylN-[(4-methylphenyl)sulfonyl]-L-valinate
Smiles: CCCCc1cc(=O)oc2c1c(OC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C)cc(c2)C

STK590989
Synonyms: N-[4-(diethylamino)phenyl]-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C)CC

STK590990
Synonyms: 2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1c1cccc(c1)C

STK590991
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-[(3-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(c(c2)OC)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK590992
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK590994
Synonyms: 1-[2-(diethylamino)ethyl]-3-(2-phenylethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: CCN(CCn1c2sc3c(c2c(=O)n(c1=O)CCc1ccccc1)CCCCC3)CC

STK590996
Synonyms: N-[4-(acetylamino)phenyl]-6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CCCCCn1c(O)nc2c(c1=O)cccc2

STK590997
Synonyms: 3-(3-chlorophenyl)-5-[(3,4-dimethylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1C)SCc1ccc(c(c1)C)C

STK590999
Synonyms: 4-[({[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK591000
Synonyms: 2-chloro-N-[(1Z)-1-{1-cyano-2-[(3-methoxypropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Smiles: COCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)/C#N

STK591001
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK591002
Synonyms: N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C\1/SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK591003
Synonyms: 9-(4-fluorophenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccc(cc2)F)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)Cc1ccccc1C

STK591004
Synonyms: N,N-diethyl-N'-[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)CC

STK591005
Synonyms: 2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: O=C(C(Oc1cc(C)cc2c1c1CCCc1c(=O)o2)C)NCc1cccnc1

STK591006
Synonyms: (5E)-6-hydroxy-3-(4-methylphenyl)-5-(1-{[3-(trifluoromethyl)phenyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/Nc1cccc(c1)C(F)(F)F

STK591007
Synonyms: 6-(4-ethoxy-3-methoxyphenyl)-2-methyl-7-(pyridin-3-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CCOc1ccc(cc1OC)C1Oc2ccc(cc2C2=C1C(c1cccnc1)n1c(N2)ncn1)C

STK591009
Synonyms: 3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)c1ccccc1F)/C=C/1\SC(=S)N(C1=O)C1CCCC1

STK591010
Synonyms: (2Z)-2-(3,4-dichlorobenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2ccc(c(c2)Cl)Cl)/Oc2c1ccc(c2C[NH+]1CCOCC1)[O-]

STK591011
Synonyms: N,N-dimethyl-3-[(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)carbonyl]benzenesulfonamide
Smiles: O=C(N1CCc2c(C1=C)cc1c(c2)OCCCO1)c1cccc(c1)S(=O)(=O)N(C)C

STK591014
Synonyms: 3-[(3a'S,6a'R)-6-chloro-7-methyl-5'-(3-methylphenyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)C)C(=O)Nc1c2ccc(c1C)Cl

STK591015
Synonyms: (3aR,6aS)-5-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)OC

STK591020
Synonyms: 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(2-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl)F

STK591022
Synonyms: N-[3-(3,4-dichlorophenyl)-4-oxo-4H-chromen-2-yl]benzamide
Smiles: O=C(c1ccccc1)Nc1oc2ccccc2c(=O)c1c1ccc(c(c1)Cl)Cl

STK591023
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK591024
Synonyms: 8-(3-chlorophenyl)-10-methyl-2-(phenoxymethyl)-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1cccnc1)nc(n3)COc1ccccc1)C

STK591025
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl(2S)-[(tert-butoxycarbonyl)amino](phenyl)ethanoate
Smiles: O=C(OC(C)(C)C)N[C@@H](c1ccccc1)C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK591027
Synonyms: (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCN(C)C)/C1=O)S

STK591030
Synonyms: 3-benzyl-1-methyl-8-(2-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Cc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1

STK591032
Synonyms: N-[4-(butan-2-yl)phenyl]-2-({5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C)C

STK591033
Synonyms: N-benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=S)NCc1ccccc1

STK591034
Synonyms: 1,3-dimethyl-7-(3-methylbutyl)-8-[(3-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(CN2CCCC(C2)C)nc2c1c(=O)n(c(=O)n2C)C)C

STK591035
Synonyms: 2-(6-chloro-1,3-benzothiazol-2-yl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1

STK591036
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK591038
Synonyms: 3-(3-chlorophenyl)-5-[(2-methylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccccc2C)nnc1c1cccc(c1)Cl

STK591039
Synonyms: N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1Cc1cccs1

STK591040
Synonyms: N-[(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=C\1/SC2C(N1c1ccc3c(c1)OCCO3)CS(=O)(=O)C2

STK591041
Synonyms: (2-bromo-5-chloro-6-methyl-1-benzofuran-3-yl)aceticacid
Smiles: OC(=O)Cc1c(Br)oc2c1cc(Cl)c(c2)C

STK591042
Synonyms: (5E)-3-(3-chlorophenyl)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)c1cccc(c1)Cl)O

STK591044
Synonyms: methylN-[(2-methylcyclohexyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)NC1CCCCC1C

STK591045
Synonyms: S-benzyl-N-[(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-cysteinylglycine
Smiles: OC(=O)CNC(=O)[C@@H](NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)CSCc1ccccc1

STK591046
Synonyms: 7'-[(1E)-3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCC1)/C=C/C(=O)c1c(O)n(C)c(=O)n(c1=O)C

STK591049
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dihydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidin-4(3H)-one
Smiles: COc1cc2CCNC(c2cc1OC)c1c(O)nc(n(c1=O)c1cccc(c1)C(F)(F)F)O

STK591050
Synonyms: 12-methyl-7-(prop-2-en-1-ylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: C=CCSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(CC3)C

STK591052
Synonyms: 3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-cyclopropylpropanamide
Smiles: O=C(NC1CC1)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C

STK591055
Synonyms: 2-[(4-chlorophenoxy)methyl]-9-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)COc1ccc(cc1)Cl

STK591056
Synonyms: 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl2-{[(benzyloxy)carbonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1cc(C)cc2c1c1CCCCc1c(=O)o2)NC(=O)OCc1ccccc1

STK591058
Synonyms: N-(3-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Cc1cccc(c1)N(S(=O)(=O)c1ccccc1)Cc1cc2ccccc2[nH]c1=O

STK591060
Synonyms: 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl

STK591063
Synonyms: 2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(C)C)nnc1COc1ccc(cc1)C

STK591065
Synonyms: 1-(4-methylphenyl)-6-(1-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)C(c1ccccc1)C

STK591067
Synonyms: 1-(2-fluorophenyl)-6-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccccc1F)S

STK591070
Synonyms: N,N-diethyl-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nnc(n1c1ccccc1)c1ccccn1)CC

STK591071
Synonyms: 1'-(2,2-dimethoxyethyl)-3-(4-fluorophenyl)-6-hydroxy-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C2=O)c1ccc(cc1)F)O)OC

STK591072
Synonyms: 2-benzyl-7-fluoro-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccnc1)Cc1ccccc1

STK591073
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-methylphenyl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(cc1)C

STK591074
Synonyms: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[3-(propan-2-yloxy)propyl]acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)cc2C)NCCCOC(C)C

STK591075
Synonyms: 4-(4-ethylpiperazin-1-yl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CCN1CCN(CC1)c1ncnc2c1oc1c2cc2c(n1)CC(OC2)(C)C

STK591076
Synonyms: 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]butanamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CCCn1nnc2c(c1=O)cccc2

STK591078
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-6-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1Cl)Cl

STK591080
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK591081
Synonyms: 2-({[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: Cc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1cnccn1

STK591082
Synonyms: N-(3-methoxyphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: COc1cccc(c1)NC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

STK591083
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK591084
Synonyms: 7-methyl-8-[(2,4,6-trimethylphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK591085
Synonyms: 4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(2-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK591086
Synonyms: (2'S,3S,3'S,10b'R)-2',3'-bis[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)OC)C(=O)Nc1c2cccc1)cccc3

STK591087
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-methoxyphenyl)carbonyl]-3'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK591090
Synonyms: 1-(2-methylphenyl)-6-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1ccccc1n1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK591091
Synonyms: (4Z)-4-[2-(3,4-dimethoxyphenyl)-4H-chromen-4-ylidene]-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1OC)C1=C/C(=C\2/N=C(OC2=O)c2cccs2)/c2c(O1)cccc2

STK591092
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Oc1cc(CSc2nnc(s2)C)nc(n1)N1CCN(CC1)c1ccccc1F

STK591093
Synonyms: 7-(4-fluorophenyl)-10-(methylsulfanyl)-6-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1[nH]c2=NC3=C(C(n2n1)c1ccc(cc1)F)C(Oc1c3cccc1)c1cccs1

STK591094
Synonyms: N,N-diethyl-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-amine
Smiles: CCN(c1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C)CC

STK591096
Synonyms: 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1C1N(CCN(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1)OC

STK591097
Synonyms: N-(2,5-dimethylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1c1ccccc1)c1cnccn1

STK591098
Synonyms: 2,2-dimethyl-8-(piperidin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(c1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCCCC1)C

STK591099
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1O[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1Cl)Cl

STK591101
Synonyms: (4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1noc(c1)C

STK591103
Synonyms: N-phenyl-2-[(2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CC(OC3)(C)C

STK591104
Synonyms: 3-(2-methoxyethyl)-10-methyl-2-(thiophen-2-yl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccs1

STK591105
Synonyms: 5,7-dimethyl-N-(pyridin-2-ylmethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)NCc1ccccn1

STK591106
Synonyms: 1,3-dimethyl-7-(2-methylbenzyl)-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccccc1Cn1c(CN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C

STK591107
Synonyms: 4-fluoro-N-(6-methyl-5-oxo-2,4-diphenyl-2,5-dihydropyridazin-3-yl)benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1n(nc(c(=O)c1c1ccccc1)C)c1ccccc1

STK591108
Synonyms: N-[4-(4-methyl-2-oxo-2H,8H-chromeno[8,7-e][1,3]oxazin-9(10H)-yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1COc2c(C1)c1oc(=O)cc(c1cc2)C

STK591110
Synonyms: 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccccn1

STK591111
Synonyms: (3a'S,6a'R)-5-chloro-3'-(1-hydroxyethyl)-5'-(2-methoxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2

STK591114
Synonyms: 1-[5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]urea
Smiles: Clc1ccc(cc1)c1n(NC(=O)N)cc2c1c(=O)n(C)c(=O)n2C

STK591115
Synonyms: 4-methyl-N'-[(E)-quinoxalin-5-ylmethylidene]benzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cccc2c1nccn2

STK591116
Synonyms: 3-(2-chlorobenzyl)-8-(3-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl

STK591117
Synonyms: (E)-{2-(4-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1F)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC[NH+]1CCOCC1)/[O-])C

STK591118
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1COc1ccc(cc1)C

STK591120
Synonyms: (4E)-4-{[(2-hydroxyethyl)amino]methylidene}-2-(2-methylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1C

STK591121
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccnc1)c(=O)c1c(o2)cccc1

STK591123
Synonyms: 2-(6-chloro-1,3-benzothiazol-2-yl)-1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591126
Synonyms: 9-(4-fluorophenyl)-1,7-dimethyl-3-(3-phenylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccc(cc2)F)c2n(C1)c1c(=O)n(CCCc3ccccc3)c(=O)n(c1n2)C

STK591127
Synonyms: 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl2-[(tert-butoxycarbonyl)amino]butanoate
Smiles: CCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CC)NC(=O)OC(C)(C)C

STK591128
Synonyms: (5S)-3-{4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-5-(2-methylpropyl)imidazolidine-2,4-dione
Smiles: CC(C[C@@H]1NC(=O)N(C1=O)c1ccc(cc1)N1CCN(CC1)C(=O)C(C)C)C

STK591130
Synonyms: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1CC(=O)c1ccccc1)c(=O)n(c(=O)n2C)C

STK591131
Synonyms: N-{2-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}acetamide
Smiles: COc1ccccc1CCn1c(O)nc(=O)c2c1NC(=O)C2(NC(=O)C)C(F)(F)F

STK591132
Synonyms: 1-{[3,5-di(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]methyl}-1H-indole-2,3-dione
Smiles: O=C1c2ccccc2N(C1=O)CN1N=C(CC1c1cccs1)c1cccs1

STK591135
Synonyms: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-4H-imidazol-5-ol
Smiles: OC1=NC(=N/C/1=C\c1ccc2c(c1)OCO2)c1ccccc1

STK591136
Synonyms: N-[(2S)-1-(cyclopentylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: CSCC[C@@H](C(=O)NC1CCCC1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK591138
Synonyms: 6-ethyl-2,5-dimethyl-3-phenyl-7-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CCc1c(C)nc2n(c1N1CCCCC1)nc(c2c1ccccc1)C

STK591139
Synonyms: 7'-{[(Z)-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1N=C(O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1Cc1ccccc1

STK591140
Synonyms: N-(2-tert-butylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1COc1ccc(cc1)Cl

STK591142
Synonyms: 4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1

STK591144
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCc1ccncc1

STK591145
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-[(2-hydroxypropyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(NCC(O)C)nc2c1c(O)nc(=O)n2C)COc1cccc(c1)C

STK591148
Synonyms: 2,6-dihydroxy-1'-methyl-6'-nitro-2'-propyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinolin]-4-one
Smiles: CCCC1N(C)c2ccc(cc2CC21C(=NC(=NC2=O)O)O)[N+](=O)[O-]

STK591149
Synonyms: 3-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-(2-methoxyethyl)propanamide
Smiles: COCCNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F

STK591151
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccc(cc1)C

STK591152
Synonyms: 9-(4-methoxyphenyl)-2-methyl-3-phenyl-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1nc(c2c1ccccc1)C

STK591153
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1c1ccccc1F

STK591154
Synonyms: 1-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OCc1ccccc1Cl)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591156
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-3,4-dihydronaphthalen-1(2H)-ylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/1\CCCc2c1cccc2

STK591157
Synonyms: 4-(3-methoxy-4-nitrophenoxy)aniline
Smiles: COc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1)N

STK591158
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK591161
Synonyms: (5-chloro-1H-indol-2-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl

STK591162
Synonyms: N-(4-acetylphenyl)-3-amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)Nc1ccc(cc1)C(=O)C

STK591163
Synonyms: 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(c1ccccc1)O)c(=O)n(c(=O)n2C)C

STK591165
Synonyms: N-(4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK591167
Synonyms: 7-chloro-1-(4-methoxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK591168
Synonyms: methyl3-{[(4-methoxyphenyl)sulfonyl]amino}-1H-indole-2-carboxylate
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)OC

STK591170
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nnc(n1N)c1n[nH]c(c1)C

STK591171
Synonyms: 5-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-ethylphenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccc(cc1)OCc1ccccc1Cl

STK591172
Synonyms: N-(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)-3-methylbenzamide
Smiles: Cc1cccc(c1)C(=O)Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C

STK591174
Synonyms: N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1c(c2ccc(c(c2)Cl)Cl)c(=O)c2c(n1C)cccc2

STK591175
Synonyms: (1S,2S)-N'-[(E)-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)methylidene]-2-phenylcyclopropanecarbohydrazide
Smiles: COc1ccc2c(c1)c(/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c(n2C)C

STK591176
Synonyms: (4E)-4-({[2-(5-hydroxy-3-sulfanyl-1,2,4-triazin-6-yl)phenyl]amino}methylidene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
Smiles: Cc1cccc(n1)N1C(=O)/C(=C/Nc2ccccc2c2nnc(nc2O)S)/c2c(C1=O)cccc2

STK591177
Synonyms: 8-{[bis(2-methylpropyl)ammonio]methyl}-3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F)CC(C)C)C

STK591179
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK591180
Synonyms: 3-(4-methylbenzyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: N=C1SC2C(N1Cc1ccc(cc1)C)CS(=O)(=O)C2

STK591181
Synonyms: (4E)-2-(2,3-dimethylphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/NC2CCS(=O)(=O)C2)/c2ccccc2C(=O)N1c1cccc(c1C)C

STK591184
Synonyms: 9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O)C

STK591185
Synonyms: 3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(propan-2-yl)propanamide
Smiles: CC(NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)C

STK591186
Synonyms: 4-bromo-N'-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidene]benzohydrazide
Smiles: Brc1ccc(cc1)C(=O)N/N=C/c1cc2cc(C)ccc2nc1Cl

STK591187
Synonyms: 3-[2-(ethylsulfanyl)ethyl]-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazine
Smiles: CCSCCc1nnc2n1nc(c1ccc(cc1)OC)c1c2cccc1

STK591189
Synonyms: (5E)-5-{1-[(2-aminophenyl)amino]propylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2ccccc2N)/CC)/C1=O)O

STK591190
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1CC)COc1ccccc1

STK591191
Synonyms: N-{(1Z)-1-[2-(benzylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-2-methylbenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1C)/C(=O)NCc1ccccc1

STK591192
Synonyms: N-(3-chloro-4-fluorophenyl)-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CCCCCn1cnc2c(c1=O)cccc2

STK591193
Synonyms: N'-[(E)-(2,4-dichlorophenyl)methylidene]-5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-3-carbohydrazide
Smiles: CCOc1ccc(cc1OC)c1[nH]nc(c1)C(=O)N/N=C/c1ccc(cc1Cl)Cl

STK591194
Synonyms: 2-[8-(3-chlorophenyl)-11-(2-methoxyphenyl)-10-methyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1O)c1cccc(c1)Cl

STK591195
Synonyms: 7-bromo-1-(3-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK591196
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1ccccn1)C

STK591197
Synonyms: N-(5-chloro-2-methylphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C

STK591198
Synonyms: 3-chloro-4-[(2,5-dimethylphenyl)amino]-1-(2-methoxyphenyl)-1H-pyrrole-2,5-dione
Smiles: COc1ccccc1N1C(=O)C(=C(C1=O)Nc1cc(C)ccc1C)Cl

STK591199
Synonyms: 4-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
Smiles: O=C(c1ccc(cc1)Oc1ccccc1)NCCc1nnc2n1cccc2

STK591201
Synonyms: 4-methoxy-N-(2-methoxyethyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccc(cc1)OC)Cc1cc2cc(C)ccc2[nH]c1=O

STK591202
Synonyms: (1'R,2'R)-2'-(2,3-dimethoxyphenyl)-1'-(2,2-dimethylpropanoyl)-7'-methyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cccc(c1OC)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)C)C(=O)C(C)(C)C

STK591203
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK591204
Synonyms: (3Z)-3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)c1ccc(cc1s2)S(=O)(=O)C

STK591205
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccco1)/C2=O

STK591207
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-methoxyphenyl)carbonyl]-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)CC(C)C)C(=O)Nc1c2cccc1)cccc3

STK591209
Synonyms: 4-[2,4-dihydroxy-1-(3-methoxypropyl)-6-oxo-5,6-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoicacid
Smiles: COCCCn1c(O)nc(c2c1=NC1=C(C2c2ccc(cc2)C(=O)O)C(=O)c2c1cccc2)O

STK591211
Synonyms: 1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl]phenyl}ethanone
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1ccc(cc1)C(=O)C

STK591212
Synonyms: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methoxyphenoxy)-4-oxo-4H-chromen-7-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)Oc1cccc(c1)OC

STK591214
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-4-methoxy-1H-indole-2-carbohydrazide
Smiles: COc1cccc2c1cc([nH]2)C(=O)N/N=C/c1ccccc1O

STK591216
Synonyms: N-(4-fluorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccccc1)c1nccnc1

STK591217
Synonyms: N-(3,5-dimethylphenyl)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: COc1cc(ccc1O)C1NC(=NC(=C1C(=O)Nc1cc(C)cc(c1)C)C)S

STK591218
Synonyms: 1-[4-(benzyloxy)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)OCc1ccccc1)c(=O)c1c(o2)cccc1

STK591219
Synonyms: 8-(2,4-dimethoxyphenyl)-3-(2-fluorobenzyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F

STK591221
Synonyms: (2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-1-[2-(thiophen-2-yl)quinolin-4-yl]ethanone
Smiles: O=C(c1cc(nc2c1cccc2)c1cccs1)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK591222
Synonyms: N-(2-tert-butylphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)(C)C)CSc1nnc(n1C)c1ccccc1

STK591224
Synonyms: (3S)-N-[(2S)-1-[(4-methoxyphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1ccc(cc1)OC)NC(=O)[C@H]1NCc2c(C1)cccc2

STK591225
Synonyms: 3-(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
Smiles: NC(=O)CCn1c(=O)oc2c1cc(Cl)cc2

STK591226
Synonyms: 2-[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]-N-(4-sulfamoylbenzyl)acetamide
Smiles: O=C(NCc1ccc(cc1)S(=O)(=O)N)COc1ccc2c(c1)oc(=O)c1c2CCC1

STK591227
Synonyms: 4-{(2E)-2-[4-(propan-2-yl)benzylidene]hydrazinyl}benzoicacid
Smiles: CC(c1ccc(cc1)/C=N/Nc1ccc(cc1)C(=O)O)C

STK591228
Synonyms: (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide
Smiles: COc1ccc(cc1)/C=C(/C(=O)NCCc1nc2c([nH]1)cccc2)\NC(=O)/C=C/c1ccc(cc1)OC

STK591229
Synonyms: 2-(butylsulfanyl)-5-hydroxy-4-[4-(propan-2-yl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CCCCSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccc(cc1)C(C)C

STK591230
Synonyms: N-(4-bromophenyl)-2-({5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)[C@@H]1CCCN1

STK591232
Synonyms: (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(ccc1Cl)[N+](=O)[O-]

STK591233
Synonyms: 7-[(3-fluorobenzyl)oxy]-7'-methoxy-2H,2'H-3,4'-bichromene-2,2'-dione
Smiles: COc1ccc2c(c1)oc(=O)cc2c1cc2ccc(cc2oc1=O)OCc1cccc(c1)F

STK591235
Synonyms: 2,2-dimethyl-5-(propan-2-yl)-N-[3-(propan-2-yloxy)propyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CC(OCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)C

STK591236
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1Cl

STK591237
Synonyms: N-benzyl-8-propyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCCN1CCc2c(C1)sc1c2c(NCc2ccccc2)nc2n1nnn2

STK591238
Synonyms: 8-(2-methoxyphenyl)-1-methyl-3-pentyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1OC

STK591240
Synonyms: 4-(4-oxoquinazolin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]butanamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CCCn1cnc2c(c1=O)cccc2

STK591242
Synonyms: 1,6-bis(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Sc1nc(=O)c2c(n1CCc1ccccc1)NCN(C2)CCc1ccccc1

STK591247
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-ylN-[(4-methylphenyl)sulfonyl]-D-isoleucinate
Smiles: CC[C@@H]([C@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NS(=O)(=O)c1ccc(cc1)C)C

STK591250
Synonyms: 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1OC

STK591251
Synonyms: 2-[(2E)-2-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)hydrazinyl]benzoicacid
Smiles: SC1=NC(=O)/C(=N/Nc2ccccc2C(=O)O)/C(=N1)O

STK591253
Synonyms: 6-amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1cc(OC)c(c(c1)OC)OC)c(C)nn2c1ccc(c(c1)C)C

STK591256
Synonyms: 8-(4-butylphenyl)-1-methyl-3-(2-methylprop-2-en-1-yl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCCCc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C

STK591258
Synonyms: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(prop-2-en-1-ylsulfanyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: C=CCSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)OC

STK591259
Synonyms: N-benzyl-4-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccccc1

STK591261
Synonyms: N-benzyl-4,5,6-trimethoxy-N-methyl-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N(Cc1ccccc1)C

STK591262
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1Cc1cccs1

STK591263
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCCNc1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C

STK591264
Synonyms: (5Z)-5-{1-[(furan-2-ylmethyl)amino]ethylidene}-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: C/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCc1ccco1

STK591266
Synonyms: N-{(1Z)-1-[1-cyano-2-(cyclopentylamino)-2-oxoethylidene]-1H-isoindol-3-yl}-4-methoxybenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)OC)/C(=O)NC1CCCC1

STK591267
Synonyms: 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Oc1cc(CSc2nnc(s2)C)nc(n1)Nc1nc(C)c2c(n1)c(C)ccc2

STK591268
Synonyms: N-ethyl-N-(2-{2-[(E)-{2,4,6-trioxo-1-[3-(trifluoromethyl)phenyl]tetrahydropyrimidin-5(2H)-ylidene}methyl]-1H-indol-3-yl}ethyl)acetamide
Smiles: CCN(C(=O)C)CCc1c(/C=C/2\C(=O)NC(=O)N(C2=O)c2cccc(c2)C(F)(F)F)[nH]c2c1cccc2

STK591269
Synonyms: (3R)-5-oxo-N-pentyl-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CCCCCNC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

STK591272
Synonyms: N-[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2

STK591273
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK591274
Synonyms: 4-[(4-fluorophenyl)carbonyl]-2-(2-methoxy-5-nitrophenyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(cc2)F)CCC1)[N+](=O)[O-]

STK591275
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK591276
Synonyms: 9-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: COc1cc(CCN2CCCn3c2nc2c3c(O)nc(=O)n2C)ccc1OC

STK591280
Synonyms: 2-[(6-chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCCCN1CCCC1=O

STK591284
Synonyms: 1-(3,4-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591285
Synonyms: (3a'S,6a'R)-5'-butyl-7-chloro-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C)C(=O)Nc2c1cccc2Cl

STK591286
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)N

STK591288
Synonyms: N-[2-hydroxy-1-(2-methoxybenzyl)-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: COc1ccccc1CN1C(=NC(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)O

STK591290
Synonyms: N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-tryptophyl-S-benzyl-D-cysteine
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)N[C@@H](C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)Cc1c[nH]c2c1cccc2

STK591291
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-bromophenyl)-7-chloro-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: O=C1N(c2ccccc2Br)C(=O)[C@@H]2[C@H]1[C@@H]1CCCN1[C@]12C(=O)Nc2c1cccc2Cl

STK591293
Synonyms: (3R,3'S,5'R)-5-chloro-N-(2,5-dimethoxyphenyl)-5'-[2-(methylsulfanyl)ethyl]-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: CSCC[C@H]1C[C@@H]([C@]2(N1)C(=O)Nc1c2cc(Cl)cc1)C(=O)Nc1cc(OC)ccc1OC

STK591294
Synonyms: tert-butyl(3S)-3-{[2-oxo-2-(propylamino)ethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: CCCNC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK591295
Synonyms: 4-(6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenylacetate
Smiles: CCCc1[nH]nc2c1C(c1ccc(cc1)OC(=O)C)C(=C(O2)N)C#N

STK591296
Synonyms: 3-butyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCCCn1cnc2c(c1=O)cc(s2)c1ccccc1

STK591297
Synonyms: 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3NCc1ccccn1)C

STK591298
Synonyms: 3-(4-fluorophenyl)-10-methyl-2-(thiophen-2-yl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: Fc1ccc(cc1)n1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccs1

STK591299
Synonyms: 7-(2-ethoxyethyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCn1c(CN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C

STK591300
Synonyms: 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1cc(O)n2c(n1)c(c1ccccc1)c(n2)c1ccccc1

STK591301
Synonyms: 3-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]-7-methoxyquinolin-2-ol
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/N=c/1\[nH]c2c([nH]1)cccc2)O

STK591302
Synonyms: 4-{[(2Z)-3-(4-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1Cc1ccc(cc1)Cl)CS(=O)(=O)C2

STK591303
Synonyms: N,N-dibenzyl-4,5,6-trimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N(Cc1ccccc1)Cc1ccccc1

STK591304
Synonyms: 2-chloro-3-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]-6-methylquinoline
Smiles: Cc1ccc2c(c1)cc(c(n2)Cl)/C=N/N=c/1\[nH]c2c([nH]1)cccc2

STK591305
Synonyms: N-(4-methylphenyl)-2-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK591307
Synonyms: (3a'S,6a'R)-5'-(2-chlorobenzyl)-3'-(1-hydroxyethyl)-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cccc1C)O

STK591309
Synonyms: 1-(2-bromophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(nnc1c1ccccn1)SCC(=O)c1ccccc1Br

STK591310
Synonyms: 3-[3-oxo-3-(piperidin-1-yl)propyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCCCC1)CCn1nnc2c(c1=O)cccc2

STK591311
Synonyms: (2-bromophenyl)(5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone
Smiles: C=C1c2cc3OCOc3cc2CCN1C(=O)c1ccccc1Br

STK591312
Synonyms: 1-(4-methylphenyl)-6-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK591314
Synonyms: N-benzyl-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide
Smiles: O=C(NCc1ccccc1)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK591315
Synonyms: 1-benzyl-6-(butan-2-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCC(N1CNc2c(C1)c(=O)nc(n2Cc1ccccc1)S)C

STK591317
Synonyms: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1nnc(s1)SCc1ccccc1)/O

STK591318
Synonyms: N-(2-hydroxyethyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: OCCNC(=O)c1nc2n(n1)cnc1c2c2CC(C)(C)OCc2s1

STK591319
Synonyms: (3R,3'S,5'R)-N-(4-methoxyphenyl)-5-methyl-2-oxo-5'-(propan-2-yl)-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1)C(C)C

STK591321
Synonyms: 2,2-dimethyl-N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)hydrazinecarboxamide
Smiles: CN(NC(=O)NC1(C)CCS(=O)(=O)C1)C

STK591323
Synonyms: 3-(2-chloro-6-fluorobenzyl)-10-methyl-6-propyl-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1c(F)cccc1Cl

STK591324
Synonyms: 4-hydroxy-1,6,7-trimethyl-8-(4-methylbenzyl)-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Cc1ccc(cc1)Cn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK591326
Synonyms: N-[(4-acetylphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)C(=O)C

STK591327
Synonyms: N-(2-{6-[(E)-{2-[(2-hydroxyphenyl)carbonyl]hydrazinylidene}methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-N-methylacetamide
Smiles: COc1c(/C=N/NC(=O)c2ccccc2O)c(CCN(C(=O)C)C)cc2c1OCO2

STK591330
Synonyms: 3-(4-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: OCCN1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C

STK591331
Synonyms: N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propyl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNCCC(c1ccc(cc1)C)C1CCOC(C1)(C)C)C

STK591332
Synonyms: N-[4-(4-methoxyphenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]-4-nitrobenzamide
Smiles: COc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)C

STK591333
Synonyms: 2-(2,4-dichlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C(Oc1ccc(cc1Cl)Cl)C

STK591336
Synonyms: 9-(4-butylphenyl)-1-methyl-3-(2-methylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C

STK591337
Synonyms: 3'-[2-(cyclohex-1-en-1-yl)ethyl]-6'-hydroxy-4-methyl-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: O=C1N=C(O)C2(C(=O)N1CCC1=CCCCC1)CN(C)c1c(C2)c2ccccc2cc1

STK591340
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nnc1c1cccc(c1)C

STK591342
Synonyms: 3-[7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]naphthalen-2-ol
Smiles: Clc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1cc2ccccc2cc1O

STK591344
Synonyms: (7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2,3,5-trichlorophenyl)methanone
Smiles: Clc1cc(Cl)c(c(c1)C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1)Cl

STK591345
Synonyms: 3-(3-methoxyphenoxy)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C[NH+]1CCCC(C1)C)[O-]

STK591346
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[3-(dimethylammonio)propyl]-2,4',5'-trioxo-1-(prop-2-en-1-yl)-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: C=CCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CCC[NH+](C)C

STK591347
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK591349
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1OC

STK591350
Synonyms: 2-(4-bromophenyl)-3-(2-methoxyethyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccc(cc1)Br

STK591353
Synonyms: N-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=S)Nc1cccc(c1)Cl

STK591354
Synonyms: 2-[(1Z)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-5-methyl-2-oxohexan-3-yl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc2/C(=C/C(=O)C(N3C(=O)c4c(C3=O)cccc4)CC(C)C)/NCCc2cc1OC

STK591355
Synonyms: 4-({N-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-alanyl}amino)butanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N[C@H](C(=O)NCCCC(=O)O)C

STK591356
Synonyms: (5-bromofuran-2-yl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(o1)Br

STK591359
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccccc1Br

STK591360
Synonyms: 2-[(2,4-dichlorobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)NCc1ccc(cc1Cl)Cl

STK591361
Synonyms: 3-pentyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCCCCn1cnc2c(c1=O)cc(s2)c1ccccc1

STK591362
Synonyms: (3a'S,6a'R)-5-chloro-5'-cyclohexyl-3'-(1H-indol-3-ylmethyl)-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCCC1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK591363
Synonyms: (3a'S,6a'R)-7-chloro-5'-cyclohexyl-3'-(3,4-dihydroxybenzyl)-5-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Cc1cc(Cl)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCCC1)Cc1ccc(c(c1)O)O)C(=O)N2

STK591366
Synonyms: N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: CCCc1n[nH]/c(=N\C(=O)c2ccco2)/s1

STK591367
Synonyms: 16-(3-bromophenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Smiles: Brc1cccc(c1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCCCOc2c1

STK591369
Synonyms: 2-[(3-chlorobenzyl)amino]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol
Smiles: Clc1cccc(c1)CNc1nc2n(n1)c(O)c1c(n2)CCC1

STK591372
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1COc1ccccc1

STK591373
Synonyms: N-(2-tert-butylphenyl)-2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1ccccn1

STK591374
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-difluorophenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1F)F

STK591375
Synonyms: methylN-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1cccc(c1)NC(=O)C

STK591376
Synonyms: 8-ethyl-N-[2-(morpholin-4-yl)ethyl]-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCN1CCc2c(C1)sc1c2c(NCCN2CCOCC2)nc2n1nnn2

STK591377
Synonyms: (4E)-5-(4-bromophenyl)-4-[hydroxy(4-nitrophenyl)methylidene]-1-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C(=O)N1c1ccc(cc1)C

STK591378
Synonyms: 8-methyl-N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CN1CCc2c(C1)sc1c2c(NCc2cccnc2)nc2n1nnn2

STK591379
Synonyms: 4-[(2-fluorobenzyl)sulfanyl]-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCc2ccccc2F)c2c(n1)sc1c2CCCC1

STK591380
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-propyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCCN1CCc2c(C1)sc1c2c(NCCc2ccc(c(c2)OC)OC)nc2n1nnn2

STK591382
Synonyms: 2-(furan-2-yl)-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nc(n2)c1ccco1

STK591383
Synonyms: N-[1-(2-chlorobenzyl)-2-hydroxy-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Smiles: CC(=O)NC1(C(=O)Nc2c1c(=O)nc(n2Cc1ccccc1Cl)O)C(F)(F)F

STK591384
Synonyms: 6'-chloro-7'-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: OC1=NC(=O)/C(=C/c2ccc3c(c2Cl)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=N1)O

STK591385
Synonyms: 6,7-dimethoxy-1-methyl-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: C=CCNC(=S)N1CCc2c(C1C)cc(c(c2)OC)OC

STK591386
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nccs1)C

STK591387
Synonyms: (5E)-6-hydroxy-3-(4-methylphenyl)-5-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCCN2CCOCC2)/C)/C1=O)O

STK591389
Synonyms: (3S)-N-{(2S)-1-[(4-methoxyphenyl)amino]-3-methyl-1-oxobutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H](C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2

STK591391
Synonyms: 7-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cc(cc1OC)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK591392
Synonyms: N-[4-(diethylamino)phenyl]-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)N(CC)CC)nnc1COc1ccc(cc1)C

STK591393
Synonyms: 5-(2-chloro-6-fluorobenzyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
Smiles: CN1CCN(CC1)CCCNC(=O)c1nnc(o1)Cc1c(F)cccc1Cl

STK591394
Synonyms: 2-[(3R,3'S,3a'S,6a'R)-5'-cyclohexyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)C[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2cccc1

STK591395
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl

STK591396
Synonyms: (4E)-5-(4-tert-butylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)C(C)(C)C

STK591397
Synonyms: (2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3)c1ccc2c(c1)OCO2

STK591398
Synonyms: N-(1,3-thiazol-2-yl)-2-[(2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1nccs1)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CC(OC3)(C)C

STK591401
Synonyms: 1-hydroxy-9-oxo-9H-xanthen-3-yl2-{[(4-methylphenyl)sulfonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)NS(=O)(=O)c1ccc(cc1)C

STK591402
Synonyms: N-(2-bromo-4-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1Br)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK591404
Synonyms: 2-(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoicacid
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1C(=O)O

STK591405
Synonyms: 9-(4-ethoxyphenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK591406
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1N)c1n[nH]c(c1)C

STK591407
Synonyms: (4E)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)-2-(3-methylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(c1)C

STK591409
Synonyms: N-[(2E)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/SC2C(N1Cc1ccccc1)CS(=O)(=O)C2

STK591410
Synonyms: 5-[3-(benzyloxy)phenyl]-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C(/c1cccs1)\C

STK591411
Synonyms: 5-tert-butyl-7-hydrazinyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: NNc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK591412
Synonyms: 3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2)/C1=O)C

STK591414
Synonyms: 7-chloro-1,2-di(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccn1)c1ccccn1

STK591415
Synonyms: (5E)-3-benzyl-5-{1-[(2,4-dimethoxyphenyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/Nc1ccc(cc1OC)OC

STK591416
Synonyms: 5-{[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: COc1cccc(c1)N1/C(=N/C(=O)CCCC(=O)O)/SC2C1CS(=O)(=O)C2

STK591420
Synonyms: (2R)-2-amino-N'-[(E)-(2-methyl-2H-chromen-3-yl)methylidene]propanehydrazide(non-preferredname)
Smiles: O=C([C@H](N)C)N/N=C/C1=Cc2ccccc2OC1C

STK591421
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK591422
Synonyms: 4-{[(E)-(3-chlorophenyl)methylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccnc1

STK591423
Synonyms: 5-[(2,4-dichlorobenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: Clc1ccc(c(c1)Cl)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1

STK591424
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(cc1)OCc1ccccc1

STK591427
Synonyms: 5-{[(2-methoxynaphthalen-1-yl)methyl]amino}-2-(morpholin-4-ium-4-yl)benzoate
Smiles: COc1ccc2c(c1CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1)cccc2

STK591428
Synonyms: 1-[1-hydroxy-3,3-dimethyl-11-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-phenylethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2cccc(c2)[N+](=O)[O-])C(=O)Cc2ccccc2)cccc3)CC(C1)(C)C

STK591430
Synonyms: 5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-9,10,11,12-tetrahydro-8H-quino[1,2-a]quinazoline-7-carbonitrile
Smiles: N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccccc1)C(=O)CC(C2)c1ccco1)cccc3

STK591431
Synonyms: 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK591432
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

STK591433
Synonyms: (5E)-3-cyclohexyl-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/NCCc1c[nH]c2c1cccc2

STK591434
Synonyms: N-(4-methoxyphenyl)-4-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)Cc1cc2ccccc2[nH]c1=O

STK591436
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,4-dimethoxyphenyl)carbonyl]-2'-(pyridin-3-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3

STK591437
Synonyms: 5-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-ol
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc(C)c(c(n1)O)Cc1ccccc1

STK591438
Synonyms: 2-(6-methoxy-1,3-benzothiazol-2-yl)-7-methyl-1-[4-(propan-2-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)OC(C)C)c(=O)c1c(o2)ccc(c1)C

STK591439
Synonyms: methyl4-{(3E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK591441
Synonyms: N-{2-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}benzamide
Smiles: O=C(c1ccccc1)NC1(N=C(N(C1=O)CCc1c[nH]c2c1cccc2)O)C(F)(F)F

STK591442
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK591444
Synonyms: (3S,3'S,3a'R,6a'S)-5-fluoro-3'-(propan-2-yl)-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC([C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cc(F)cc1)C

STK591445
Synonyms: N-[(1Z)-1-{1-cyano-2-[(3,5-dimethylphenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1)/C(=O)Nc1cc(C)cc(c1)C

STK591446
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
Smiles: Oc1ccc(cc1)N1C(=O)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK591448
Synonyms: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl[(tert-butoxycarbonyl)amino](phenyl)acetate
Smiles: O=C(OC(C)(C)C)NC(c1ccccc1)C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)C

STK591449
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: COc1cc(CCNc2ncnc3c2oc2c3c3CC(C)(C)OCc3c(n2)CC(C)C)ccc1OC

STK591450
Synonyms: 8-(3-chlorophenyl)-1-methyl-3-[(2E)-3-phenylprop-2-en-1-yl]-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Clc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)C/C=C/c1ccccc1

STK591452
Synonyms: 2-(4-fluorophenyl)-N-[(2E)-3-(3-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=C\1/SC2C(N1c1cccc(c1)F)CS(=O)(=O)C2)Cc1ccc(cc1)F

STK591453
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl){1-[(2-fluorophenyl)sulfonyl]piperidin-4-yl}methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1F

STK591456
Synonyms: N-(3-fluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)F)nnc1c1cccc(c1)C

STK591458
Synonyms: 7-hydroxy-5-(2-methoxyphenyl)-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1ccccc1C1CC(=Nc2c1c(=O)nc(n2C)SC)O

STK591459
Synonyms: 4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(2-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK591463
Synonyms: 2-chloro-7-propyl-14H-chromeno[2',3':4,5]pyrimido[1,6-a]benzimidazol-14-one
Smiles: CCCc1nc2oc3ccc(cc3c(=O)c2c2n1c1ccccc1n2)Cl

STK591464
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)c1nnc(s1)SCc1ccc(cc1)Cl)/O

STK591468
Synonyms: N-butyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK591470
Synonyms: N-(3-chlorophenyl)-1-(4-ethylphenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)Cl)n2c3c1CCCCn3c(c2)c1ccc(cc1)OC

STK591471
Synonyms: N-(4-ethoxyphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK591472
Synonyms: (4Z)-4-(hydroxyimino)-3,6,6-trimethyl-N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)Nc1nccs1

STK591473
Synonyms: [(4Z)-4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl](4-methylpiperazin-1-yl)methanone
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)N1CCN(CC1)C

STK591476
Synonyms: 2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-N-(2,3,4-trifluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1F)F)F)CN1CCc2c(C1C)cc1c(c2)OCCCO1

STK591477
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK591478
Synonyms: N-(3,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1c1cccc(c1)C

STK591482
Synonyms: methyl2-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1)Cl

STK591483
Synonyms: 2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine-7-thiol
Smiles: CCCc1cc(S)n2c(n1)c(c1ccccc1)c(n2)C

STK591485
Synonyms: 8-(4-chlorophenyl)-11-(2-methoxyphenyl)-10-methyl-2-(pyridin-4-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccncc1)c1ccc(cc1)Cl

STK591486
Synonyms: 4-(4-chlorophenyl)-3-[(2,4-dichlorobenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(cc2Cl)Cl)nnc1c1cccc(c1)C

STK591488
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK591489
Synonyms: 3,4-dimethyl-9-(3,4,5-trimethoxyphenyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COc1cc(cc(c1OC)OC)N1COc2c(C1)c1oc(=O)c(c(c1cc2)C)C

STK591491
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1C)c1cccc(c1)Cl

STK591493
Synonyms: N-(2,6-dibromo-4-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2c(Br)cc(cc2Br)C)nnc1Cc1cccs1

STK591494
Synonyms: 3-(4-fluorophenyl)-10-methyl-2-propylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCc1nc2c(c(=O)n1c1ccc(cc1)F)c(=O)c1c(n2C)cccc1

STK591495
Synonyms: N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2cc3c([nH]2)ccc(c3OC)OC)cccc1OC

STK591496
Synonyms: 4-(3-chlorophenyl)-8-methyl-1-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC1CCN(CC1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CCN(C3)C

STK591497
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1cccc(c1)Cl

STK591498
Synonyms: 6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)C)nc2c1c(O)nc(=O)n2C)COc1ccccc1

STK591499
Synonyms: 1-(4-butoxy-3-methoxyphenyl)-6,7-dimethyl-2-(4-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCCOc1ccc(cc1OC)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C

STK591500
Synonyms: N-(4-methoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)Cc1cc2cccc(c2[nH]c1=O)C

STK591501
Synonyms: (5E)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCN1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCN(C4)c3ccccc3)C(=NC(=NC2=O)O)O)/C1=O

STK591502
Synonyms: 2-[7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)c1ccccc1O

STK591503
Synonyms: 1-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]urea
Smiles: COc1ccc(cc1)c1n(NC(=O)N)cc2c1c(=O)n(C)c(=O)n2C

STK591505
Synonyms: (3,4-diethoxyphenyl)(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: CCOc1cc(ccc1OCC)C(=O)N1CCc2c(C1C)cc(c(c2)OC)OC

STK591507
Synonyms: 3-(2-hydroxyphenyl)-5-(4-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: OC(=O)C1NC(C2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1O

STK591508
Synonyms: N-[2-(4-tert-butylphenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C(C)(C)C

STK591509
Synonyms: 9-tert-butyl-N-(pyridin-4-ylmethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C)NCc1ccncc1

STK591511
Synonyms: (4E)-2-(2-ethylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: CCc1ccccc1N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2

STK591513
Synonyms: N-(4-chlorophenyl)-2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK591515
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-bromopyridin-2-yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK591516
Synonyms: 3-[(3a'S,6a'R)-5'-butyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cccc2

STK591517
Synonyms: N-(4-acetylphenyl)-5-hydroxy-2-oxo-2,3,4,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: O=C1N=C2CCCC(=C2C(C1)C(=O)Nc1ccc(cc1)C(=O)C)O

STK591518
Synonyms: methylN-[(3,4-dimethoxybenzyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NCc1ccc(c(c1)OC)OC

STK591519
Synonyms: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C(=O)N1c1cccc(c1)C(F)(F)F

STK591520
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2E)-1-phenoxypropan-2-ylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/COc1ccccc1)\C

STK591521
Synonyms: 6-hydroxy-3-methyl-7-(2-methylbenzyl)-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CN1CCN(CC1)c1nc2c(n1Cc1ccccc1C)c(O)nc(=O)n2C

STK591522
Synonyms: 10-(3,4-dihydroxyphenyl)-5-(4-methoxyphenyl)-1,3,7,7-tetramethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2c2n1C(C)(C)COC2c1ccc(c(c1)O)O)C

STK591524
Synonyms: N-(furan-2-ylmethyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: CC(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1

STK591526
Synonyms: 5-(3-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(Cl)cc(c1O)Cl

STK591527
Synonyms: 7-[(4-methoxybenzyl)sulfanyl]-12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(CC3)C

STK591531
Synonyms: 1-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: CCn1c(SCC(=O)C(C)(C)C)nnc1c1cccc(c1)Cl

STK591532
Synonyms: 5-[4-(dimethylamino)phenyl]-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(cc2)N(C)C)cc(c1OC)OC

STK591536
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK591537
Synonyms: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O

STK591539
Synonyms: 4-hydroxy-2-[3-methoxy-4-(propan-2-yloxy)phenyl]-1-phenyl-6-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Smiles: N#CC1=C(S)N(C(N=C1O)c1ccc(c(c1)OC)OC(C)C)c1ccccc1

STK591540
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethanone
Smiles: Cc1ccc(cc1)C(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK591541
Synonyms: 4-({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1CC)COc1ccccc1

STK591542
Synonyms: N-(4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK591543
Synonyms: 2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1ccc2c(c1C)oc(=O)c1c2CCC1

STK591544
Synonyms: 4-(4-chlorophenyl)-3-[(3,4-dichlorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(c(c1)Cl)Cl

STK591545
Synonyms: (8aR)-7-(2-chloro-6-fluorobenzyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Smiles: O=C1N(CC(=O)N2[C@H]1CSC2)Cc1c(F)cccc1Cl

STK591546
Synonyms: (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc2c(c1)c(=O)c(co2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C

STK591547
Synonyms: 3-(4-fluorobenzyl)-8-(2-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)F

STK591549
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK591550
Synonyms: N'-{(E)-[1-(3-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C)S

STK591551
Synonyms: (E)-{4-[(3-methylbenzyl)oxy]phenyl}[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1cc[nH+]cc1)/[O-]

STK591552
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK591553
Synonyms: (2E)-2-(2-chlorobenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide
Smiles: S=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)N/N=C/c1ccccc1Cl

STK591554
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(OC)ccc1OC

STK591555
Synonyms: N-(4-acetylphenyl)-2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)Nc1ccc(cc1)C(=O)C

STK591558
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK591559
Synonyms: 1-amino-2-(dimethylamino)-4-[(4-fluorophenyl)amino]anthracene-9,10-dione
Smiles: Fc1ccc(cc1)Nc1cc(N(C)C)c(c2c1C(=O)c1ccccc1C2=O)N

STK591560
Synonyms: N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: S=C(N1CCc2c(C1)cc1c(c2)OCCCO1)Nc1cccc(c1C)Cl

STK591561
Synonyms: 3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)CCCn1nnc2c(c1=O)cccc2

STK591562
Synonyms: 6-hydroxy-3-methyl-8-[(2-methylpropyl)amino]-7-(propan-2-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(CNc1nc2c(n1C(C)C)c(O)nc(=O)n2C)C

STK591563
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(butan-2-yl)phenyl]acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C)C

STK591564
Synonyms: 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1c1ccc(cc1)F)SCc1cc(C)ccc1C

STK591565
Synonyms: 2-ethyl-1-{(2E)-2-[(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc3cc4OCCOc4cc3nc1O)c1ccccc1n2

STK591566
Synonyms: 4-chloro-N-[(1Z)-1-{1-cyano-2-[(3,5-dimethylphenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)Cl)/C(=O)Nc1cc(C)cc(c1)C

STK591567
Synonyms: (E)-1-benzofuran-2-yl{1'-[2-(morpholin-4-ium-4-yl)ethyl]-2,4',5'-trioxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)N(CC[NH+]1CCOCC1)C(=O)C(=O)/C/2=C(\c1cc2c(o1)cccc2)/[O-]

STK591569
Synonyms: (4Z)-4-[(4-chlorophenyl)imino]-6-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Clc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1ccccc1

STK591570
Synonyms: (3a'S,6a'R)-5'-tert-butyl-5-chloro-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(Cl)cc1)C

STK591571
Synonyms: 4-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1CC)c1ccc(cc1)Cl

STK591572
Synonyms: (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]propanamide
Smiles: O=C([C@@H](n1c(O)nc2c(c1=O)cccc2)C)Nc1ccc(cc1)C(C)C

STK591573
Synonyms: 8-[4-(2,6-dichlorobenzyl)piperazin-1-yl]-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1c(Cl)cccc1Cl

STK591574
Synonyms: 4-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)Cc1cccnc1

STK591575
Synonyms: 3-(3-ethoxypropyl)-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOCCCn1cnc2c(c1=O)n(C)c1c2cc(cc1)OC

STK591577
Synonyms: N,N-diethyl-N'-[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]propane-1,3-diamine
Smiles: CCN(CCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)CC

STK591579
Synonyms: 2-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OC)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591580
Synonyms: 2-(6-chloro-1,3-benzothiazol-2-yl)-1-[4-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCOc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591581
Synonyms: 2-(4-bromophenyl)-9-chloro-5-(2-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccccc1C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)Br)Cl

STK591582
Synonyms: (2Z,5Z)-5-(4-chlorobenzylidene)-2-[(3-hydroxyphenyl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Clc1ccc(cc1)/C=C/1\S/C(=N\c2cccc(c2)O)/N=C1O

STK591583
Synonyms: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK591585
Synonyms: 10-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccccc1O

STK591586
Synonyms: (2E,5E)-5-(4-chlorobenzylidene)-2-[(4-hydroxyphenyl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Oc1ccc(cc1)/N=C/1\N=C(/C(=C\c2ccc(cc2)Cl)/S1)O

STK591588
Synonyms: 4-({[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK591589
Synonyms: 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1)c1ccc(cc1)OC

STK591590
Synonyms: N-(3,4-difluorophenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK591591
Synonyms: 2-[(5Z)-5-(4-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-cyclohexylacetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccc(cc2)Cl)/C1=O)NC1CCCCC1

STK591592
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)F

STK591593
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(3,4-dimethylphenyl)ethanediamide
Smiles: O=C(C(=O)NCC1COc2c(O1)cccc2)Nc1ccc(c(c1)C)C

STK591594
Synonyms: 7-(2-chlorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK591595
Synonyms: (3a'S,6a'R)-5'-(3,4-dichlorophenyl)-5-fluoro-3'-(4-hydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)Cl)Cc1ccc(cc1)O)C(=O)N2

STK591596
Synonyms: 2,6-dimethoxy-4-[(E)-{[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenylacetate
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2cc(OC)c(c(c2)OC)OC)cc(c1OC(=O)C)OC

STK591598
Synonyms: N-(2,4-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)C)nnc1c1ccccn1

STK591600
Synonyms: N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-methylpropanamide
Smiles: O=C(C(C)C)Nc1ncc(s1)Cc1ccc(cc1)F

STK591602
Synonyms: N-phenyl-2-(3-{(E)-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-1H-indol-1-yl)acetamide
Smiles: O=C(Cn1cc(c2c1cccc2)/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1)Nc1ccccc1

STK591603
Synonyms: ethyl1-acetyl-5-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1)Cl)C(=O)C

STK591607
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)CC)nnc1COc1ccc(cc1)Cl

STK591609
Synonyms: ethyl7-[4-(benzyloxy)phenyl]-2,5-dimethyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCc1ccccc1)nc([nH]2)C

STK591610
Synonyms: 6-(4-ethylpiperazin-1-yl)-5-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: COCCCN1C(=S)S/C(=C\c2c(N3CCN(CC3)CC)n(C)c(=O)c(c2C)C#N)/C1=O

STK591611
Synonyms: 9-benzyl-2-(phenoxymethyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1ccc(cc1)OCc1nc2n(n1)cnc1c2c2CCN(Cc2s1)Cc1ccccc1

STK591612
Synonyms: 2-[(2-methoxyphenoxy)methyl]-10-methyl-11-(4-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccccc1OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccc(cc1)C)c(C)nn2c1ccccc1

STK591614
Synonyms: 2,5,10-trimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1nc(n2)C)C

STK591615
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)CSc1nnc(s1)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STK591616
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)SCc1ccc(cc1)Cl

STK591618
Synonyms: 4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)Br

STK591619
Synonyms: (4E)-1,5-bis(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)Br

STK591620
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-tert-butyl-5-fluoro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)Cc1ccccc1)C(=O)N2

STK591621
Synonyms: 7-(2,3-dihydroxypropyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C)O

STK591622
Synonyms: (1'R,2'R)-7'-chloro-2'-(4-methylphenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Cc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)Cl

STK591623
Synonyms: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-N-(3-methoxyphenyl)ethanethioamide
Smiles: COc1cccc(c1)NC(=S)/C=C/1\NCCc2c1cc1OCOc1c2

STK591624
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)OCC)c([nH]n2)c1cc(Cl)c(cc1O)C

STK591627
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-methoxyphenyl)carbonyl]-2'-[(4-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK591628
Synonyms: 4-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
Smiles: Fc1ccc(cc1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK591630
Synonyms: methyl[(2E)-5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: COC(=O)/N=c/1\[nH]nc(s1)c1ccc(cc1Cl)Cl

STK591631
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK591632
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1)C

STK591633
Synonyms: N-[(2E)-3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-phenylpropanamide
Smiles: COc1ccc(cc1)CN1/C(=N\C(=O)CCc2ccccc2)/SC2C1CS(=O)(=O)C2

STK591634
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-methoxyphenyl)carbonyl]-2'-(pyridin-4-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)cccc3

STK591635
Synonyms: 5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-2-(propylsulfanyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(C2=C(CC(CC2=N1)(C)C)O)c1ccc(cc1)OC

STK591637
Synonyms: 5-(4-fluorophenyl)-4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CSc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK591639
Synonyms: (2S)-N-(4-fluorophenyl)-2-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: O=C([C@@H](n1cnc2c(c1=O)cccc2)C)Nc1ccc(cc1)F

STK591641
Synonyms: 2-{[4-(4-chlorophenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1)C

STK591642
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)CCc1ccccc1)CCc1ccccc1

STK591644
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-methylphenyl)carbonyl]-3'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK591645
Synonyms: 2-[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C

STK591648
Synonyms: 1-(4-ethylphenyl)-N-(2-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1OC)cc3c1ccccc1

STK591649
Synonyms: N-(3-fluorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1c1ccccc1)c1cnccn1

STK591650
Synonyms: N-(2-tert-butylphenyl)-2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C(C)(C)C)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Cl

STK591651
Synonyms: {(5S)-3-[2-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxy-5-nitrophenyl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: COc1ccc(cc1NC(=O)[C@@]1(ON=C(C1)c1ccccc1OCC(=O)N)CC(=O)O)[N+](=O)[O-]

STK591652
Synonyms: (4E)-4-{[(2-hydroxyethyl)amino]methylidene}-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1OC

STK591653
Synonyms: 3-[(3-bromobenzyl)sulfanyl]-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2cccc(c2)Br)nnc1c1cccc(c1)Cl

STK591654
Synonyms: N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-2-phenoxypropanamide
Smiles: O=C(C(Oc1ccccc1)C)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK591657
Synonyms: 9-(2,4-dimethoxyphenyl)-3,4-dimethyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COc1cc(OC)ccc1N1COc2c(C1)c1oc(=O)c(c(c1cc2)C)C

STK591658
Synonyms: 7,7-dimethyl-2-phenyl-4-(propylsulfanyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CCCSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK591659
Synonyms: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)OC)nnc1c1cccc(c1)Cl

STK591660
Synonyms: 2-(ethylsulfanyl)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nc2n(n1)C(c1cc(OC)c(c(c1)OC)OC)C1=C(O)CCCC1=N2

STK591661
Synonyms: 4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK591662
Synonyms: 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK591663
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(2-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1OC

STK591666
Synonyms: (3E)-4-imino-3-(1H-pyrrol-2-ylmethylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C\c1ccc[nH]1)cccc3

STK591667
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethanone
Smiles: Cc1ccc(cc1)C(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK591668
Synonyms: 4-(5-{(Z)-[1-(4-fluorobenzyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}furan-2-yl)benzonitrile
Smiles: N#Cc1ccc(cc1)c1ccc(o1)/C=C/1\N=C(N(C1=O)Cc1ccc(cc1)F)O

STK591669
Synonyms: N-[(2E)-3-(3-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: COc1cccc(c1)CN1/C(=N\C(=O)C)/SC2C1CS(=O)(=O)C2

STK591670
Synonyms: 1-amino-N-benzyl-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)NCc1ccccc1

STK591672
Synonyms: (3S,3a'R,8a'S,8b'S)-7-ethyl-2'-(4-methylphenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C

STK591673
Synonyms: 4,7-dimethoxy-N'-[(E)-(4-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1[nH]c2c(c1)c(OC)ccc2OC

STK591674
Synonyms: (2E,5Z)-2-{[4-chloro-2-(trifluoromethyl)phenyl]imino}-5-[4-(prop-2-en-1-yloxy)benzylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: C=CCOc1ccc(cc1)/C=C/1\S/C(=N/c2ccc(cc2C(F)(F)F)Cl)/N=C1O

STK591675
Synonyms: 5-(3-methylphenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK591676
Synonyms: 4-{[(3-chlorophenyl)ammonio]methyl}-2-oxo-7-phenyl-2H-chromen-6-olate
Smiles: Clc1cccc(c1)[NH2+]Cc1cc(=O)oc2c1cc([O-])c(c2)c1ccccc1

STK591680
Synonyms: ethyl2-[1-(4-nitrophenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)cccc1

STK591682
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Smiles: CCN(C(=O)CSc1nnc(n1C)c1cccc(c1)Cl)CC

STK591683
Synonyms: 4-benzyl1-(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)N-(tert-butoxycarbonyl)-L-aspartate
Smiles: O=C(C[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)NC(=O)OC(C)(C)C)OCc1ccccc1

STK591684
Synonyms: 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroquinoxaline1,4-dioxide
Smiles: [O-][n+]1cc(c2cc3c(o2)cccc3)[n+](c2c1CCCC2)[O-]

STK591685
Synonyms: propan-2-yl[4-(dimethylamino)phenyl][(2-methoxyphenyl)(phenylamino)methyl]phosphinate
Smiles: COc1ccccc1C(P(=O)(c1ccc(cc1)N(C)C)OC(C)C)Nc1ccccc1

STK591686
Synonyms: 7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK591690
Synonyms: N-(butan-2-yl)-11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCC(NC(=O)c1nn2c(n1)c1c(nc2)sc2c1C(C)CCC2)C

STK591692
Synonyms: 1-amino-8,8-dimethyl-N-phenyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)Nc1ccccc1

STK591693
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: Fc1ccccc1c1nnc(n1c1ccccc1)SCc1c(Cl)cccc1Cl

STK591695
Synonyms: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1F

STK591697
Synonyms: 1,3-dimethyl-7-(3-methylbenzyl)-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(c(=O)n2C)C

STK591700
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK591702
Synonyms: 7-bromo-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK591703
Synonyms: 3-[(3a'S,6a'R)-5'-butyl-7-chloro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cccc2Cl

STK591705
Synonyms: (3R)-N-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxopropan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK591706
Synonyms: 9-(4-butylphenyl)-1-methyl-3-(prop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CC=C

STK591707
Synonyms: 4-chloro-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylbenzenesulfonamide
Smiles: CCCN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STK591709
Synonyms: (2Z)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Smiles: CCOc1cc(ccc1OC(F)F)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2

STK591711
Synonyms: {(5S)-5-[(3-chloro-2-methylphenyl)carbamoyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: N#CCOc1ccc(cc1OC)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1cccc(c1C)Cl

STK591713
Synonyms: 2-(4-methoxybenzyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nc2n(n1)cnc1c2C(c2ccccc2OC)c2c(O1)n(nc2C)c1ccccc1

STK591714
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK591718
Synonyms: 5-(3-methylphenyl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)cc(c1/C=N/n1c(=S)[nH]nc1c1cccc(c1)C)OC

STK591719
Synonyms: 2-(2-chlorobenzyl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cc(cc1OC)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591720
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK591723
Synonyms: (2Z)-2-(4-bromobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)Br)/C2=O

STK591724
Synonyms: (E)-N-{[11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}-1-phenylmethanimine
Smiles: Cc1nn(c2c1C(c1ccco1)c1c(O2)ncn2c1nc(n2)CO/N=C/c1ccccc1)c1ccccc1

STK591725
Synonyms: methyl2-{[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CCCn1nnc2c(c1=O)cccc2

STK591726
Synonyms: methyl4-[2-(6-methyl-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591729
Synonyms: 3-[2-(morpholin-4-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCOCC1)Cn1nnc2c(c1=O)cccc2

STK591730
Synonyms: 7-fluoro-1-[4-(propan-2-yl)phenyl]-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)C)c1ccccn1

STK591731
Synonyms: 7-methyl-10-(pyridin-3-ylmethyl)-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one
Smiles: O=c1oc2c(C)c3OCN(Cc3cc2c2c1CCCC2)Cc1cccnc1

STK591733
Synonyms: 4-{[(E)-(2-chlorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1Cl

STK591734
Synonyms: S-methyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-cysteinyl-S-benzyl-D-cysteinyl-D-valine
Smiles: CSC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK591739
Synonyms: 1-(2-fluorophenyl)-2-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccccc1C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591741
Synonyms: N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: O=C(Nc1ccc(cc1)N(C)C)CCCn1nnc2c(c1=O)cccc2

STK591743
Synonyms: 3-[(3-chlorophenyl)sulfonyl]-9,10-dimethoxy-2-(4-methoxyphenyl)-6,7-dihydro-2H-pyrido[2,1-a]isoquinolin-4-amine
Smiles: COc1ccc(cc1)C1C=C2c3cc(OC)c(cc3CCN2C(=C1S(=O)(=O)c1cccc(c1)Cl)N)OC

STK591745
Synonyms: 4-imino-9,10-dimethoxy-2-(2-methoxyphenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc2c(cc1OC)CCn1c2cc(c2ccccc2OC)c(c1=N)C#N

STK591746
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)C

STK591748
Synonyms: 2-(2,6-dichlorophenyl)-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)Cc1c(Cl)cccc1Cl

STK591750
Synonyms: 8,8-dimethyl-3-(3-phenylpropyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: O=c1n(CCCc2ccccc2)cnc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK591751
Synonyms: N-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-alanine
Smiles: C[C@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1

STK591754
Synonyms: 6-cyclohexyl-1-(2,3-dimethylphenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)C1CCCCC1)c1cccc(c1C)C

STK591757
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1cccc(c1)Cl

STK591758
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK591759
Synonyms: 2-(2,4-dichlorophenoxy)-N-[3-(1H-tetrazol-1-yl)phenyl]propanamide
Smiles: O=C(C(Oc1ccc(cc1Cl)Cl)C)Nc1cccc(c1)n1cnnn1

STK591761
Synonyms: 1-tert-butyl4-(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)piperidine-1,4-dicarboxylate
Smiles: CCc1cc(=O)oc2c1ccc(c2C)OC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

STK591762
Synonyms: 3-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: Cc1ccc(cc1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK591764
Synonyms: 4-(propan-2-yl)-7-(pyrrolidin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3N1CCCC1)C

STK591766
Synonyms: (4E)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1ccc(nc1)N/C=C\1/C(=O)N(c2ccc(c(c2)C)C)C(=O)c2c1cccc2

STK591767
Synonyms: 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2)/C1=O)NCCc1ccc(cc1)O

STK591768
Synonyms: 3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Smiles: COc1cc2CCN(C(c2cc1OC)C)C1CC(=O)N(C1=O)c1cccc(c1)C(F)(F)F

STK591769
Synonyms: 6-[3-(4-chlorophenoxy)propyl]-9-methoxy-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(cc1)Cl

STK591770
Synonyms: N,N-dimethyl-4-[10-methyl-8-phenyl-2-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-yl]aniline
Smiles: CN(c1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1cccnc1)c1ccccc1)C

STK591771
Synonyms: ethyl[3-(4-chlorophenyl)-7-hydroxy-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate
Smiles: CCOC(=O)Cc1c(C)nc2n(c1O)nc(c2c1ccc(cc1)Cl)C

STK591772
Synonyms: N-(furan-2-ylmethyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CCCC2)NCc1ccco1

STK591773
Synonyms: (3R,3'S,5'R)-5'-(2-amino-2-oxoethyl)-5-chloro-N-(2,5-dimethoxyphenyl)-7-methyl-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(Cl)cc1C)CC(=O)N)OC

STK591774
Synonyms: 4-({[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: COc1ccccc1c1nnc(n1c1ccccc1)SCc1ccc(cc1)C#N

STK591775
Synonyms: N-(3-chlorophenyl)-2-[(11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCC(=O)Nc1cccc(c1)Cl)nn2

STK591776
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-4-amine
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1ccc(cc1)Br

STK591777
Synonyms: (4E)-2-(5-chloro-2-methylphenyl)-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(Cl)ccc1C

STK591778
Synonyms: (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK591779
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1cc(ccc1OC)c1cnoc1c1ccc(cc1O)OCc1cccc(c1)Cl

STK591780
Synonyms: (3a'S,6a'R)-5-chloro-5'-cyclopentyl-3'-(3,4-dihydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCC1)Cc1ccc(c(c1)O)O)C(=O)N2

STK591781
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK591782
Synonyms: N-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-hydroxybenzamide
Smiles: Oc1ccc(cc1)C(=O)NN1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O

STK591784
Synonyms: 3-(2,6-dimethylphenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: N=C1SC2C(N1c1c(C)cccc1C)CS(=O)(=O)C2

STK591786
Synonyms: 2-chloro-N'-{(1Z)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}benzohydrazide
Smiles: C/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/NNC(=O)c1ccccc1Cl

STK591787
Synonyms: (5Z)-5-{4-[(2-chlorobenzyl)oxy]benzylidene}-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: O=C1N=C(/C(=C/c2ccc(cc2)OCc2ccccc2Cl)/S1)O

STK591788
Synonyms: 3-[7-(2,5-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]phenol
Smiles: Cc1ccc(c(c1)n1ncc2c1ncn1c2nnc1c1cccc(c1)O)C

STK591790
Synonyms: (2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-4-hydroxy-N-(4-methylphenyl)-5,6-dihydro-2H-1,3-thiazine-6-carboxamide
Smiles: O=C(C1CC(=N/C(=N/N=C/c2ccco2)/S1)O)Nc1ccc(cc1)C

STK591791
Synonyms: N-(4-fluorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK591792
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl(2S)-{[(4-methylphenyl)sulfonyl]amino}(phenyl)ethanoate
Smiles: O=C([C@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK591794
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-7-(4-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2ccccc2)nc2c1c(O)nc(=O)n2C

STK591799
Synonyms: 7'-[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1CCC1=CCCCC1

STK591800
Synonyms: 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide
Smiles: Oc1cc(CN(C(=O)CN2C(=O)S/C(=C\c3ccccc3)/C2=O)C)c2c(n1)cccc2

STK591801
Synonyms: 4-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)cc3c1ccc(c(c1)Cl)Cl

STK591802
Synonyms: dimethyl7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Smiles: COC(=O)C1=C(Sc2c(C1c1cc(ccc1O)[N+](=O)[O-])sc(=O)[nH]2)C(=O)OC

STK591803
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK591805
Synonyms: 3-methyl-7-sulfanyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Smiles: Sc1nn2c(s1)nnc(c2=O)C

STK591806
Synonyms: 1-(4-bromophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)CC(C2=C1COC2=O)c1ccccc1

STK591807
Synonyms: 2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-2-ylmethyl)acetamide
Smiles: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCc1ccccn1

STK591810
Synonyms: N-(2-bromophenyl)-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1c1cccc(c1)Cl

STK591812
Synonyms: 6,6'-[(2,3-dichlorophenyl)methanediyl]bis(7-hydroxy-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one)
Smiles: Oc1nc2SCCn2c(=O)c1C(c1c(O)nc2n(c1=O)CCS2)c1cccc(c1Cl)Cl

STK591814
Synonyms: 6-(2-chlorobenzyl)-2-[(4-chlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)CSc1nn2c(n1)nc(c(c2O)Cc1ccccc1Cl)C

STK591818
Synonyms: 6-(4-fluorophenyl)-7-hydroxy-2,9,9-trimethyl-6,8,9,10-tetrahydro[1,2,4]triazolo[5',1':2,3]pyrimido[4,5-b]quinolin-5(4H)-one
Smiles: Fc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c1n2nc(n1)C)(C)C

STK591819
Synonyms: 6-(4-chlorophenyl)-2-methyl-7-(pyridin-3-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1cccnc1)n1c(N2)ncn1)C

STK591820
Synonyms: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-6-hydroxy-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCCSc1nc2c(s1)cccc2)N1CCCCC1)O

STK591821
Synonyms: 2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-(4-phenoxyphenyl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(cc1)Oc1ccccc1

STK591822
Synonyms: N-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxopropan-2-yl}-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)C1CN(C(=O)C1)c1ccc(cc1)OC)C

STK591824
Synonyms: 7-chloro-1-(4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(c2scc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK591826
Synonyms: 5-(4-ethoxyphenyl)-4-methyl-N'-[(1E)-1-phenylethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: CCOc1ccc(cc1)c1[nH]nc(c1C)C(=O)N/N=C(/c1ccccc1)\C

STK591827
Synonyms: N-(3-methylphenyl)-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)C)c1ccccc1

STK591828
Synonyms: 7'-({(Z)-[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3
Smiles: COCCN1C(=NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S

STK591830
Synonyms: 4-fluoro-N-(2-methoxyethyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccc(cc1)F)Cc1cc2ccccc2[nH]c1=O

STK591832
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK591834
Synonyms: 5-{[1-(3-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Oc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK591835
Synonyms: 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-methylpropan-1-one
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(C)C)cccc2)(C)C

STK591836
Synonyms: (3R)-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC([C@@H](C(=O)NC1CCCC1)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1)C

STK591837
Synonyms: 7-(2-fluorobenzyl)-1,3-dimethyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(OCCCNc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C)C

STK591838
Synonyms: (4E)-5-(4-bromophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1N(c2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)C)/O

STK591839
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-{[4-(propan-2-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CC(Oc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C

STK591841
Synonyms: 2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK591842
Synonyms: 9'-fluoro-1-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1cccc(c1N1C2CCC1)F

STK591843
Synonyms: (4E)-5-(4-bromophenyl)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)O

STK591845
Synonyms: 8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCc1ccccc1)CN1CCC(CC1)Cc1ccccc1

STK591846
Synonyms: 5-(4-fluorophenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(F)(F)F

STK591847
Synonyms: 3-(furan-2-ylmethyl)-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1n2C)Cc1ccco1

STK591848
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1ccccc1F

STK591849
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-fluorophenyl)carbonyl]-2'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK591850
Synonyms: 7-chloro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK591853
Synonyms: 2-[4-(benzyloxy)-3-methoxyphenyl]-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc(ccc1OCc1ccccc1)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC

STK591854
Synonyms: 2-[4-(7-benzyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)piperazin-1-yl]acetamide
Smiles: NC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STK591856
Synonyms: 1-(biphenyl-4-yl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)c2ccccc2)nnc1COc1ccc(cc1)C

STK591858
Synonyms: 8-chloro-N-(3-ethoxypropyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CCOCCCNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK591860
Synonyms: 1-{N-[(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]glycylglycyl}piperidine-4-carboxamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NCC(=O)NCC(=O)N1CCC(CC1)C(=O)N

STK591861
Synonyms: 5-(4-methoxyphenyl)-1,3-dimethyl-10-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccc(cc1)C

STK591863
Synonyms: N-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-tryptophan
Smiles: O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2

STK591864
Synonyms: N-(3-methylphenyl)-2-[(11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCC(=O)Nc1cccc(c1)C)nn2

STK591865
Synonyms: N-[(2Z)-3-(3-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: COc1cccc(c1)CN1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK591866
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK591868
Synonyms: (5E)-6-hydroxy-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cc(C)ccc2C(C)C)/C(=N1)O

STK591869
Synonyms: (3R,3'S,5'S)-N-(2,5-dimethoxyphenyl)-5,7-dimethyl-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1C)CC(C)C)OC

STK591870
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F)C

STK591871
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl)CC

STK591874
Synonyms: 10-(3,4-dihydroxyphenyl)-1,3,7,7-tetramethyl-5-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Cc1ccc(cc1)c1c2c(c3n1C(C)(C)COC3c1ccc(c(c1)O)O)n(C)c(=O)n(c2=O)C

STK591875
Synonyms: 3'-(2-chlorophenyl)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)c1ccccc1Cl)O)[N+](=O)[O-]

STK591877
Synonyms: 3-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]-5H-[1,2,4]triazino[5,6-b]indole
Smiles: c1ccc2c(c1)c(/C=N/Nc1nnc3c(n1)[nH]c1c3cccc1)ccn2

STK591878
Synonyms: 4-[(E)-{[3-(2-chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK591879
Synonyms: 3-[2-(cyclohex-1-en-1-yl)ethyl]-11-{[(E)-pyridin-4-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(CCC2=CCCCC2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccncc1

STK591880
Synonyms: (2E,5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-(phenylimino)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2ccccc2)/S/C/1=C\c1cn(c2c1cccc2)C

STK591881
Synonyms: 7-chloro-3-methyl-1',3'-diphenyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=O)N(c2ccccc2)C(=O)N(C1=O)c1ccccc1

STK591882
Synonyms: N-[(2Z)-3-(2,6-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1c(C)cccc1C)CS(=O)(=O)C2

STK591883
Synonyms: 4-(2-methoxyphenyl)-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: COc1ccccc1C1N=C(N)N=c2n1c1ccccc1[nH]2

STK591884
Synonyms: N-[2-(3,4-dimethylphenyl)-6-methyl-4-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)C)C)c1ccc(c(c1)C)C

STK591885
Synonyms: N-(butan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamide
Smiles: CCC(NC(=O)CCC1COc2c(O1)cccc2)C

STK591888
Synonyms: N-(2-methoxyethyl)-5,11-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: COCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1C(C)CCC2

STK591889
Synonyms: methylN-[(thiophen-2-ylmethyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NCc1cccs1

STK591890
Synonyms: methyl2-[(3E)-3-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC(C)C)/O)/C1c1cccnc1

STK591891
Synonyms: (3E,11aS)-3-{4-[(2,4-dichlorobenzyl)oxy]benzylidene}-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: O=C1N/C(=C/c2ccc(cc2)OCc2ccc(cc2Cl)Cl)/C(=O)N2[C@H]1Cc1ccccc1C2

STK591892
Synonyms: N-[(2Z)-3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1OC)OC)CS(=O)(=O)C2

STK591894
Synonyms: 2-[(3a'S,6a'R)-5'-(4-butylphenyl)-5-fluoro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: CCCCc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2

STK591895
Synonyms: 1,3-dimethyl-5-(5-phenyl-1-propanoylpyrazolidin-3-ylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(=O)N1NC(=C2C(=O)N(C)C(=O)N(C2=O)C)CC1c1ccccc1

STK591896
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK591897
Synonyms: 7-chloro-1',3'-diethyl-3-phenyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CCN1C(=O)N(CC)C(=O)C2(C1=O)Cc1c(Cl)cccc1N1C2CN(CC1)c1ccccc1

STK591899
Synonyms: methylN-{(E)-[4-hydroxy-2,6-dioxo-1-(propan-2-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)C(C)C)O

STK591901
Synonyms: N-(3-fluorophenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK591903
Synonyms: 1-(4-chlorophenyl)-4-(4-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Clc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)cc3c1ccc(cc1)F

STK591904
Synonyms: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)Cl)nnc1c1ccccc1Cl

STK591905
Synonyms: 4-[(Z)-(8-ethoxy-4-iminio-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]-2-hydroxyphenolate
Smiles: CCOc1ccc2c(c1)sc1=NC(=O)/C(=C\c3ccc(c(c3)O)[O-])/C(=[NH2+])n21

STK591906
Synonyms: 7-butyl-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK591907
Synonyms: 2-(benzylsulfanyl)-9-(2,5-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(c(c1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1)OC

STK591908
Synonyms: ethyl4-[({[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK591909
Synonyms: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)NCc1ccncc1

STK591910
Synonyms: (3aR,6aS)-3-(2,5-dimethoxyphenyl)-5-(2,4-dimethylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)C)OC

STK591912
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)Nc1ccc2c(c1)OCCO2

STK591914
Synonyms: 4-chloro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1

STK591916
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(C)cc(c1)C

STK591917
Synonyms: tert-butyl[(1S)-1-{4-amino-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(n1N)SCc1ccccc1Cl)C(C)C

STK591918
Synonyms: 8-(4-ethylphenyl)-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)CC

STK591919
Synonyms: 7-bromo-2-(2-hydroxyethyl)-1-(2-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccccc1OC)c(=O)c1c(o2)ccc(c1)Br

STK591920
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1C)c1cccc(c1)Cl

STK591922
Synonyms: N-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK591923
Synonyms: 1-(3-chlorophenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591924
Synonyms: 3-[4-(ethoxycarbonyl)phenoxy]-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate
Smiles: CCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2C[NH+]1CCCCC1)[O-]

STK591925
Synonyms: N-({4-phenyl-1-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]piperidin-4-yl}carbonyl)-beta-alanine
Smiles: OC(=O)CCNC(=O)C1(CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)c1ccccc1

STK591927
Synonyms: methyl4-({[(2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)COc1ccc2c(c1)oc(=O)cc2

STK591930
Synonyms: 2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl

STK591932
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK591934
Synonyms: 3-[(3a'S,6a'R)-5-fluoro-5'-(2-methoxyethyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(F)cc2

STK591935
Synonyms: 5-(pyrazin-2-yl)-4-(quinolin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)cccn2)c1nccnc1

STK591936
Synonyms: 5-(4-fluorophenyl)-4-{[(E)-(2-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK591937
Synonyms: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1c1ccccc1Cl

STK591938
Synonyms: 2-(benzylsulfanyl)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1cc(cc(c1OC)OC)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK591939
Synonyms: N-(2,4-dichlorophenyl)-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CCCCCn1cnc2c(c1=O)cccc2

STK591941
Synonyms: (5Z)-3-ethyl-6-hydroxy-5-({1-[3-(2-methoxyphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN1C(=O)N=C(/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2OC)/C1=O)O

STK591943
Synonyms: 4-chloro-N-[3-(2-fluorophenyl)-4-oxo-4H-thiochromen-2-yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1sc2ccccc2c(=O)c1c1ccccc1F

STK591944
Synonyms: N-[4-oxo-3-(thiophen-2-yl)-4H-thiochromen-2-yl]benzamide
Smiles: O=C(c1ccccc1)Nc1sc2ccccc2c(=O)c1c1cccs1

STK591945
Synonyms: 10-(4-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Cc1ccc(cc1)c1c2c(c3n1CCOC3c1ccc(cc1)O)n(C)c(=O)n(c2=O)C

STK591947
Synonyms: (4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK591948
Synonyms: 4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK591949
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)Cl

STK591951
Synonyms: 6,7-dimethoxy-2-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1ccccc1

STK591952
Synonyms: (E)-(4-bromophenyl){2-(4-bromophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(c2ccc(cc2)Br)/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C1=O)CC

STK591953
Synonyms: N-[2-(morpholin-4-yl)ethyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-amine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCN1CCOCC1

STK591954
Synonyms: N-(2-tert-butylphenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1COc1ccc(cc1)C

STK591960
Synonyms: N-(2-tert-butylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1Cc1cccs1

STK591961
Synonyms: 5-(3-methylphenyl)-4-{[(E)-thiophen-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccs1

STK591962
Synonyms: 5-(4-fluorophenyl)-2,4-dihydroxy-1-methyl-1,5-dihydro-6H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-one
Smiles: Fc1ccc(cc1)C1C2=C(N=c3c1c(O)nc(n3C)O)c1c(C2=O)cccc1

STK591964
Synonyms: N-(2-bromophenyl)-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccccc1Br)CCCCCn1cnc2c(c1=O)cccc2

STK591965
Synonyms: 9-(4-chlorophenyl)-6-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Cc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccc(cc2)Cl)ncn3)C1)O

STK591966
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylicacid
Smiles: Clc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)O

STK591967
Synonyms: 3-(2-chlorophenyl)-2,6-dihydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1c(O)nc(n(c1=O)c1ccccc1Cl)O

STK591968
Synonyms: 5-(2-chlorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccccc1Cl

STK591970
Synonyms: 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1,1',2,3',4,4',4a,6'-octahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carbaldehyde
Smiles: O=CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N(C)C(=O)N(C1=O)C

STK591971
Synonyms: 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
Smiles: [O-][N+](=O)c1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccc3c(c2)OCO3)C(=O)OC(OC1=O)(C)C

STK591972
Synonyms: (2Z)-N-(3,4-dimethoxyphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanamide
Smiles: COc1ccc(cc1OC)NC(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK591974
Synonyms: (4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK591976
Synonyms: 4-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-4,11-dihydro-1H-pyrazolo[3',4':4,5]pyrimido[1,2-a]benzimidazole
Smiles: COc1ccc(cc1)C1n2c(nc3c2cccc3)Nc2c1c(C)nn2c1ccccc1C

STK591978
Synonyms: N,N-dimethyl-N'-[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3NCCN(C)C)C

STK591979
Synonyms: N-(2,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1c(C)cccc1C

STK591982
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(OC)c(c(c1)OC)OC

STK591983
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1COc1ccccc1

STK591984
Synonyms: methyl{2-[(2-fluorobenzyl)amino]-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)NCc1ccccc1F

STK591988
Synonyms: N-[4-(acetylamino)phenyl]-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK591991
Synonyms: methylN-[(2-fluorophenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1ccccc1F

STK591992
Synonyms: 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1cc(CCN2CNc3c(C2)c(=O)nc(n3Cc2ccco2)S)ccc1OC

STK591993
Synonyms: 4-fluoro-N-[4-(4-methoxyphenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]benzamide
Smiles: COc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccc(cc1)F)c1ccc(cc1)C

STK591994
Synonyms: 6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-ylN-[(benzyloxy)carbonyl]norleucinate
Smiles: CCCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)NC(=O)OCc1ccccc1

STK591995
Synonyms: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-7-methyl-2-oxo-2H-chromen-6-olate
Smiles: CCN1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)C

STK591996
Synonyms: 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)C

STK591997
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-3-(4-chlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1O[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)Cl

STK591999
Synonyms: 6-cyclohexyl-2-hydroxy-1-(4-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C1CCCCC1

STK592001
Synonyms: N-[(2Z)-5,5-dioxido-3-phenyltetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(thiophen-2-yl)acetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccccc1)CS(=O)(=O)C2)Cc1cccs1

STK592002
Synonyms: N-(2-ethoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)OC)Cc1cccs1

STK592003
Synonyms: (4E)-4-({1-[2-hydroxy-3-(phenylamino)propyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: OC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)CNc1ccccc1

STK592004
Synonyms: 2-[(3a'S,6a'R)-5-fluoro-5'-(3-methoxypropyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2

STK592005
Synonyms: N-[6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl]-3,4-dimethoxybenzamide
Smiles: COc1ccc(cc1OC)C(=O)Nc1oc2ccc(cc2c(=O)c1c1ccc(cc1)F)Cl

STK592006
Synonyms: (1S)-3-(methylsulfanyl)-1-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)propan-1-amine
Smiles: CSCC[C@@H](c1nnc(o1)SC/C=C/c1ccccc1)N

STK592007
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)[N+](=O)[O-]

STK592008
Synonyms: {5-[(2E)-3-(3,4-dimethoxyphenyl)-1-(oxo-kappaO)prop-2-en-1-yl]-6-(hydroxy-kappaO)-1,3-dimethylpyrimidine-2,4(1H,3H)-dionato}(difluoro)boron
Smiles: COc1ccc(cc1OC)/C=C/C1=[O+][B-](F)(F)Oc2c1c(=O)n(C)c(=O)n2C

STK592009
Synonyms: 4-methoxy-N-[(3Z)-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)OC)/c2c1nc1ccccc1c2

STK592010
Synonyms: [2-({(2'S,3S,3'S,10b'R)-2'-[(4-chlorophenyl)carbonyl]-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl}carbonyl)phenoxy]acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)cccc3

STK592012
Synonyms: 3-(4-oxoquinazolin-3(4H)-yl)-N-(4-phenoxyphenyl)propanamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)CCn1cnc2c(c1=O)cccc2

STK592013
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)C

STK592014
Synonyms: 3-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1scc(n1)c1ccc(cc1)Cl

STK592015
Synonyms: N-(3,5-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK592016
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1

STK592017
Synonyms: (1'S,3R,3'S,7a'S)-1'-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: C=CCOc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1

STK592020
Synonyms: (5E)-3-(4-chlorophenyl)-6-hydroxy-5-(1-{[3-(morpholin-4-yl)propyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/NCCCN1CCOCC1

STK592021
Synonyms: 2-{4-[6-hydroxy-3-methyl-7-(2-methylpropyl)-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetamide
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)CC(=O)N)C

STK592027
Synonyms: (4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Smiles: CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1ccc(cc1)F

STK592028
Synonyms: (1'R,2'S)-2'-(2-fluorophenyl)-7'-methyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Cc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccccc2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1ccccc1F

STK592029
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-nitrophenyl)acetamide
Smiles: COc1cc2CCN(Cc2cc1OC)CC(=O)Nc1cccc(c1)[N+](=O)[O-]

STK592030
Synonyms: (5E)-1-(2,5-dimethylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1ccc(c(c1)N1C(=NC(=O)/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/C1=O)S)C

STK592031
Synonyms: 4-(4-fluorophenyl)-N-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1n2cc(n3c2c(c1c1ccccc1)CCCC3)c1ccc(cc1)F

STK592032
Synonyms: 1-(1-phenylpropan-2-yl)-1H-pyrrole-2,5-dione
Smiles: CC(N1C(=O)C=CC1=O)Cc1ccccc1

STK592035
Synonyms: 1-tert-butyl4-(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)piperidine-1,4-dicarboxylate
Smiles: CCc1cc(=O)oc2c1c(OC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)cc(c2)C

STK592036
Synonyms: 1-hydroxy-9-oxo-9H-xanthen-3-yl6-{[(4-methylphenyl)sulfonyl]amino}hexanoate
Smiles: O=C(Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)CCCCCNS(=O)(=O)c1ccc(cc1)C

STK592039
Synonyms: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-(2,6-dichlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1Cn1c(Sc2nc3c(s2)cccc3)nc2c1c(O)nc(=O)n2C)Cl

STK592040
Synonyms: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)Cl

STK592042
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(4-methylphenyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK592043
Synonyms: 1,1',3',10-tetramethyl-2-phenyl-2H,2'H,4H-spiro[dipyrido[1,2-a:2',3'-d]pyrimidine-3,5'-pyrimidine]-2',4',5,6'(1H,1'H,3'H)-tetrone
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1c(N(C2c2ccccc2)C)nc2n(c1=O)cccc2C

STK592045
Synonyms: (5E)-5-({1-[2-(4-chlorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK592047
Synonyms: N-(2,4-dichlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Cl)Cl)nnc1Cc1cccs1

STK592048
Synonyms: 2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
Smiles: O=C(C(Oc1cc(C)cc2c1c1CCCc1c(=O)o2)C)NCc1ccncc1

STK592049
Synonyms: 8-methyl-4-[(2E)-2-(2,3,4-trimethoxybenzylidene)hydrazinyl]-5H-pyrimido[5,4-b]indole
Smiles: COc1c(/C=N/Nc2ncnc3c2[nH]c2c3cc(cc2)C)ccc(c1OC)OC

STK592051
Synonyms: 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK592052
Synonyms: N-{4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5-nitro-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

STK592053
Synonyms: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)C(n1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C)C

STK592054
Synonyms: N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-N-methylbenzamide
Smiles: CN(C(=O)c1ccccc1)c1ccc2c(c1)nc1n2CCOC1

STK592055
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(nnc1c1cccc(c1)OC)SCc1c(Cl)cccc1Cl

STK592056
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-5-fluoro-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(CC)C)C(=O)Nc1c2cc(F)cc1

STK592058
Synonyms: 8-fluoro-5-methyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1ccc2c(c1)c1ncn(c(=O)c1n2C)Cc1cccnc1

STK592059
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-furan-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccco1