FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK580465
Synonyms: 6-(3-chlorophenyl)-2-methyl-7-(pyridin-3-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1cccc(c1)C1Oc2ccc(cc2C2=C1C(c1cccnc1)n1ncnc1N2)C

STK580467
Synonyms: 2-{3-[(Z)-(2-hydroxy-5-oxo-1-phenyl-1,5-dihydro-4H-imidazol-4-ylidene)methyl]-1H-indol-1-yl}-N-phenylacetamide
Smiles: O=C(Cn1cc(c2c1cccc2)/C=C/1\N=C(N(C1=O)c1ccccc1)O)Nc1ccccc1

STK580468
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCc1c(Cl)cccc1Cl

STK580469
Synonyms: N-(3,4-dimethylphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccccc1)c1ccccn1

STK580470
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2,6-dimethylphenyl)-5-ethyl-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: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1c(C)cccc1C

STK580471
Synonyms: 3-(1-ethyl-1H-indol-3-yl)-1-(naphthalen-2-yl)pyrrolidine-2,5-dione
Smiles: CCn1cc(c2c1cccc2)C1CC(=O)N(C1=O)c1ccc2c(c1)cccc2

STK580473
Synonyms: (4Z)-6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4-[(3-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1N1CCN(CC1)Cc1nc(N)n/c(=N\c2cccc(c2)C)/[nH]1

STK580474
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK580476
Synonyms: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(propan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Smiles: N#Cc1c(nc(c2c1CCC2)C(C)C)N1CCN(CC1)C(=O)C(C)C

STK580477
Synonyms: (1'S,3R,3'S,7a'S)-1'-[(2,4-dichlorophenyl)carbonyl]-5''-fluoro-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK580479
Synonyms: 7-[(3-chlorobenzyl)oxy]-7'-methoxy-2H,2'H-3,4'-bichromene-2,2'-dione
Smiles: COc1ccc2c(c1)oc(=O)cc2c1cc2ccc(cc2oc1=O)OCc1cccc(c1)Cl

STK580480
Synonyms: (8S,8aR,11aS)-10-(4-acetylphenyl)-8-[(2,5-dimethoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(c(c1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)OC

STK580483
Synonyms: 2-benzyl-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: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)Cc1ccccc1)c1ccccc1

STK580486
Synonyms: N-(2-hydroxyethyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: OCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCCC2

STK580487
Synonyms: (1S,2S)-2-phenyl-N'-[(E)-quinolin-6-ylmethylidene]cyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc2c(c1)cccn2

STK580488
Synonyms: 2-(6-chloro-1,3-benzothiazol-2-yl)-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580489
Synonyms: 8-{[benzyl(methyl)amino]methyl}-7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN(Cc2ccccc2)C)nc2c1c(=O)n(c(=O)n2C)C

STK580490
Synonyms: N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1c1ccccc1)c1cnccn1

STK580492
Synonyms: 6,8-dibromo-N-heptyl-2,4-dihydroxyquinoline-3-carboxamide
Smiles: CCCCCCCNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br

STK580494
Synonyms: 2-{[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1Cc1cccs1

STK580495
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-7-chloro-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: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2Cl)C

STK580496
Synonyms: 2-[(2-methoxyethyl)amino]-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCCC3

STK580497
Synonyms: (5E)-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-1-(3-bromophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Brc1cccc(c1)N1C(=NC(=O)/C(=C\c2cc(Cl)cc(c2O)Br)/C1=O)S

STK580499
Synonyms: 9-methoxy-6-(4-nitrobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1ccc(cc1)[N+](=O)[O-]

STK580500
Synonyms: 5-(2-bromophenyl)-4-{[(E)-pyridin-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccccn1

STK580504
Synonyms: 7,9,9-trimethyl-9a-[(E)-2-(naphthalen-1-yl)ethenyl]-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: O=C1CN2C(N1)(/C=C/c1cccc3c1cccc3)C(c1c2ccc(c1)C)(C)C

STK580506
Synonyms: 10-(2,4-dimethoxyphenyl)-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)c1c2c(c3n1CCOC3c1ccc(cc1OC)OC)n(C)c(=O)n(c2=O)C

STK580507
Synonyms: 5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1ncn2)C

STK580508
Synonyms: 8-chloro-N-(3-chlorophenyl)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Clc1cccc(c1)Nc1nc(C)nc2c1oc1c2cc(cc1)Cl

STK580509
Synonyms: N-(2,2-dimethoxyethyl)-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-amine
Smiles: COC(CNc1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C)OC

STK580510
Synonyms: 2-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(2-ethoxyphenyl)ethanone
Smiles: CCOc1ccccc1C(=O)CSc1c(Cc2ccccc2)c(C)nc2n1nc(c2c1ccccc1)C

STK580511
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: O=c1nc(O)c2c(n1C)nc(n2Cc1cccc2c1cccc2)N1CCC(CC1)Cc1ccccc1

STK580512
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK580514
Synonyms: 7-bromo-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)ccc(c1)Br

STK580515
Synonyms: 8-(2-methoxyphenyl)-1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1ccccc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C

STK580516
Synonyms: (5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)n1cccc1/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O

STK580517
Synonyms: N-(3-methoxyphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK580518
Synonyms: N-[4-({5-[(E)-{4-hydroxy-2,6-dioxo-1-[4-(propan-2-yl)phenyl]-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]-2-methoxybenzyl}oxy)phenyl]acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)C(C)C)O

STK580519
Synonyms: 10-(4-hydroxy-3-methoxyphenyl)-1,3,7,7-tetramethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1cc(ccc1O)C1OCC(n2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)(C)C

STK580520
Synonyms: N-{1-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]-3-methyl-1H-pyrazol-5-yl}-2,4-difluorobenzamide
Smiles: Fc1ccc(c(c1)F)C(=O)Nc1cc(nn1c1nc2c(n1Cc1ccccc1Cl)cccc2)C

STK580522
Synonyms: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)cccc1

STK580523
Synonyms: ethyl2-[1-(3,4-dimethoxyphenyl)-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(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK580524
Synonyms: N-(2-fluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK580526
Synonyms: N-(4-fluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK580527
Synonyms: ethyl4-[1,7-dimethyl-3-(3-methylbutyl)-2,4-dioxo-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CCC(C)C

STK580530
Synonyms: 2-chloro-6-methoxy-3-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}quinoline
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK580531
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-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C

STK580535
Synonyms: N-[(2Z)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
Smiles: O=C(c1nn(ccc1=O)c1ccccc1)/N=c\1/[nH]nc(s1)SCc1ccccc1

STK580536
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1COc1ccccc1

STK580537
Synonyms: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK580540
Synonyms: 3-amino-6-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)benzyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1OC)c1ccc2c(n1)sc(c2N)C(=O)NCc1ccc(cc1)C(F)(F)F

STK580541
Synonyms: N,4-bis(4-chlorophenyl)-1-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)C(C)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

STK580542
Synonyms: 6-(4-fluorophenyl)-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccnc2)ncn3)C1)O

STK580543
Synonyms: methyl4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-6-hydroxy-2-methyl-4,5-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=NC(=C1C(=O)OC)C)O

STK580544
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C

STK580546
Synonyms: (2Z)-1-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Smiles: COc1cc2CCN/C(=C\C(=O)c3cc(Br)c4c(c3)OCCO4)/c2cc1OC

STK580547
Synonyms: N-[4-(butan-2-yl)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)C(CC)C)nnc1COc1ccc(cc1)C

STK580548
Synonyms: 9-(3,4-dimethoxyphenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nc2n(n1)C(c1ccc(c(c1)OC)OC)C1=C(O)CCCC1=N2

STK580549
Synonyms: 1'-(2,2-dimethoxyethyl)-1-methyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)C)OC

STK580550
Synonyms: 3-butyl-5-[(2E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCCCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1)OCC)O

STK580553
Synonyms: 2-[(4-fluorobenzyl)sulfanyl]-7-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1cc(ccc1O)C1CC(=Nc2c1c(=O)nc(n2C)SCc1ccc(cc1)F)O

STK580554
Synonyms: (3S,3'S,3a'R,6a'S)-3'-benzyl-5-fluoro-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: Fc1ccc2c(c1)[C@]1(N[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)CC1CCCO1)Cc1ccccc1)C(=O)N2

STK580555
Synonyms: N-[(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C\1/SC2C(N1c1ccc3c(c1)OCCO3)CS(=O)(=O)C2

STK580556
Synonyms: N-[4-(4-methylphenoxy)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccc(cc1)C)CN1CCc2c(C1)cc1c(c2)OCCCO1

STK580558
Synonyms: N-[(1Z)-1-{1-cyano-2-[(2-methylpropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-3-nitrobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-])/C(=O)NCC(C)C

STK580559
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK580561
Synonyms: 4-{[(Z)-(2-benzyl-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl]amino}benzenesulfonamide
Smiles: O=C1N(Cc2ccccc2)C(=O)c2c(/C/1=C/Nc1ccc(cc1)S(=O)(=O)N)cccc2

STK580562
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dichlorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1COc1ccc(cc1)Cl

STK580563
Synonyms: 1-butyl-2-imino-10-methyl-5-oxo-N-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: CCCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NC(C)C

STK580565
Synonyms: 2-(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1N

STK580569
Synonyms: 3-amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK580571
Synonyms: 2-[3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-phenylacetamide
Smiles: O=C(Cn1c(=O)n(Cc2ccco2)c(=N)c2c1sc1c2CC(OC1)(C)C)Nc1ccccc1

STK580573
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK580575
Synonyms: N-{1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazol-5-yl}furan-2-carboxamide
Smiles: CC1CCN(CC1)CCc1nc2c(n1C)ccc(c2)NC(=O)c1ccco1

STK580576
Synonyms: 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)N(C)C

STK580577
Synonyms: 2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1OC)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580578
Synonyms: 2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)amino]butan-1-ol
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NC(CO)CC

STK580579
Synonyms: 1-(2-fluorophenyl)-2-(2-methoxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCN1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cccc1

STK580581
Synonyms: (3S)-N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)[C@H]1NCc2c(C1)cccc2

STK580582
Synonyms: N-(2-phenylethyl)-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(NCCc2ccccc2)nc2n1nnn2

STK580583
Synonyms: 1-(3-fluorophenyl)-2-(4-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580584
Synonyms: 4-[({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Smiles: CCOc1ccc(cc1)n1c(nnc1COc1ccc(cc1)Cl)SCc1ccc(cc1)C#N

STK580587
Synonyms: (6E)-4-(1-benzofuran-2-yl)-6-[(2,3-dichlorophenyl)imino]-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1[nH]/c(=N\c2cccc(c2Cl)Cl)/nc(n1)c1cc2c(o1)cccc2

STK580589
Synonyms: N,1-bis(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)OC)CCCC3)c1ccccc1

STK580590
Synonyms: 2-({4-[1-(4-fluorophenyl)ethyl]-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one
Smiles: Fc1ccc(cc1)C(n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2)C

STK580591
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2Nc1ccncc1)C(C)(C)C

STK580592
Synonyms: 2-(ethylsulfanyl)-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cccc(c1)[N+](=O)[O-]

STK580593
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)O

STK580594
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-methoxyphenyl)carbonyl]-2'-(pyridin-3-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)c1cccnc1)C(=O)Nc1c2cccc1)cccc3

STK580595
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-[(4-fluorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK580598
Synonyms: 4-(3-chlorophenyl)-8-methyl-1-[(2-oxo-2-phenylethyl)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: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCC(=O)c1ccccc1)nn2)c1cccc(c1)Cl

STK580599
Synonyms: N-(2-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)Nc2ccccc2Cl)n2c3c1CCCCn3c(c2)c1ccc(cc1)OC

STK580600
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1c(C)cccc1C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK580602
Synonyms: 4-fluoro-N-[(3Z)-6-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)F)/c2c1nc1ccc(cc1c2)C

STK580603
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N-(2-methoxyphenyl)-2-methylpropanamide
Smiles: COc1ccccc1N(C(=O)C(C)C)Cc1cc(O)nc2c1cccc2

STK580604
Synonyms: (4E)-4-[(4-methoxyphenyl)imino]-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)/N=c\1/nc(N)nc([nH]1)CN1CCN(CC1)c1ccccn1

STK580606
Synonyms: 4-({(E)-[4-(benzyloxy)-3-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/c1ccc(c(c1)OC)OCc1ccccc1

STK580607
Synonyms: 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(2-methoxyphenyl)ethanone
Smiles: COc1ccccc1C(=O)CSc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C

STK580610
Synonyms: (1'R,2'R)-1'-[(4-chlorophenyl)carbonyl]-7'-methyl-2'-phenyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2c3ccc(cc3C=CC2[C@@]2([C@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)C

STK580612
Synonyms: 1-(4-chlorophenyl)-6-(3-phenylpropyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CCCc1ccccc1

STK580613
Synonyms: [2-chloro-5-(methylsulfanyl)phenyl](5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone
Smiles: CSc1ccc(c(c1)C(=O)N1CCc2c(C1=C)cc1c(c2)OCO1)Cl

STK580615
Synonyms: 16-(2-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: O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1c(c2)OCCCO1)c1ccccc1Br

STK580617
Synonyms: (2S)-N-benzyl-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanamide
Smiles: Oc1nc2ccccc2c(=O)n1[C@H](C(=O)NCc1ccccc1)Cc1ccccc1

STK580618
Synonyms: 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(3-methoxyphenyl)propanamide
Smiles: COc1cccc(c1)NC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)O

STK580619
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(4-nitrophenyl)methylidene]-1-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C(=O)N1c1ccc(cc1)C

STK580620
Synonyms: (5E)-3-benzyl-5-(1-{[4-(diethylamino)phenyl]amino}propylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/CC)CC

STK580621
Synonyms: (2E)-3-(2,4-dichlorophenyl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)/C=C/c1ccc(cc1Cl)Cl

STK580625
Synonyms: 2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(3-hydroxypropyl)acetamide
Smiles: OCCCNC(=O)COc1ccc2c(c1)oc(=O)cc2CC

STK580626
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK580629
Synonyms: (3S)-N-{(1R)-2-[(3,4-dimethylphenyl)amino]-2-oxo-1-phenylethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)Nc1ccc(c(c1)C)C)c1ccccc1

STK580630
Synonyms: (5E)-5-{1-[(2-aminophenyl)amino]ethylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2ccccc2N)/C)/C1=O)O

STK580631
Synonyms: (1'S,3R,3'S,7a'S)-1'-[(2-chlorophenyl)carbonyl]-5''-ethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1Cl

STK580632
Synonyms: 2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1c1cccc(c1)OC

STK580633
Synonyms: ethyl2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
Smiles: CCOC(=O)C(C(=O)C)Sc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK580634
Synonyms: (4Z)-2-(3-chlorophenyl)-4-[2-(4-methoxyphenyl)-4H-chromen-4-ylidene]-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1)C1=C/C(=C\2/N=C(OC2=O)c2cccc(c2)Cl)/c2c(O1)cccc2

STK580636
Synonyms: 2-(benzylsulfanyl)-6-(3-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1cccc(c1)Cc1c(C)nc2n(c1O)nc(n2)SCc1ccccc1

STK580637
Synonyms: 6-(3-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1cccc(c1)Cl

STK580641
Synonyms: 4-chloro-N-(furan-2-ylmethyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1

STK580642
Synonyms: 1-(4-cyclooctylcyclohexylidene)-2-(2,4-dinitrophenyl)hydrazine
Smiles: [O-][N+](=O)c1cc(ccc1N/N=C/1\CCC(CC1)C1CCCCCCC1)[N+](=O)[O-]

STK580643
Synonyms: 5,9-dimethyl-2-phenyl-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(nn2c(n1)C)c1ccccc1

STK580644
Synonyms: 1-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nnc1COc1ccccc1

STK580645
Synonyms: 2-{[3-cyano-5-hydroxy-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)N=C2C(=C(O)CCC2)C1c1ccc(cc1)C

STK580646
Synonyms: (5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK580647
Synonyms: ethyl3-{[(2,4-dimethoxyphenyl)sulfonyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(cc1OC)OC)cc(cc2)OC

STK580648
Synonyms: 7-chloro-1-{4-[(2-chlorobenzyl)oxy]phenyl}-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)OCc1ccccc1Cl)c1noc(c1)C

STK580649
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,4-dichlorophenyl)carbonyl]-2'-(furan-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3

STK580650
Synonyms: 5-(4-methoxyphenyl)-4-{[(E)-pyridin-3-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccnc1

STK580654
Synonyms: N-(3-chlorophenyl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: Clc1cccc(c1)Nc1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK580656
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1-(9H-fluoren-3-yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)c1ccc2c(c1)c1ccccc1C2

STK580658
Synonyms: 6-cyclopentyl-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)C1CCCC1

STK580659
Synonyms: 4-(benzyloxy)-N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1NC(=O)c1ccc(cc1)OCc1ccccc1

STK580662
Synonyms: 3-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl]amino}propan-1-ol
Smiles: OCCCNc1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C

STK580663
Synonyms: N-(3,4-dimethoxybenzyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1ccco1)Cc1ccc(c(c1)OC)OC

STK580664
Synonyms: N-butyl-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: CCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK580666
Synonyms: (7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(3-methylthiophen-2-yl)methanone
Smiles: C=C1c2cc3OCCCOc3cc2CCN1C(=O)c1sccc1C

STK580667
Synonyms: N-(4-{[(3Z)-8-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]sulfamoyl}phenyl)acetamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=O)C)/c2c1nc1c(C)cccc1c2

STK580669
Synonyms: (3a'S,6a'R)-7-chloro-5'-(2-chlorobenzyl)-3'-(propan-2-yl)-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)Nc1c2cccc1Cl)C

STK580670
Synonyms: 9-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Cc1ccc(c(c1)C1C2=C(O)CCCC2=Nc2n1nc(n2)C(F)(F)F)C

STK580671
Synonyms: 4-{[(2-methoxy-5-methylphenyl)ammonio]methyl}-2-oxo-7-phenyl-2H-chromen-6-olate
Smiles: COc1ccc(cc1[NH2+]Cc1cc(=O)oc2c1cc([O-])c(c2)c1ccccc1)C

STK580672
Synonyms: 8-(3-methoxyphenyl)-1-methyl-3-(4-methylbenzyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)C

STK580673
Synonyms: 4-[({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK580674
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK580675
Synonyms: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

STK580676
Synonyms: 3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCOCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)/C1=O

STK580681
Synonyms: 5-(4-chlorophenyl)-10-(2,5-dihydroxyphenyl)-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: Clc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1cc(O)ccc1O

STK580682
Synonyms: 1-(3-chlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(c2cccc(c2)Cl)c2c(C1=O)oc1c(c2=O)cc(c(c1)C)C

STK580684
Synonyms: N'-[(E)-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]-4-methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cc2cc3OCCOc3cc2nc1Cl

STK580687
Synonyms: (4E)-1-{5-[(2,4-dichlorobenzyl)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(cc1Cl)Cl)/O

STK580688
Synonyms: (2E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-(4-hydroxyquinazolin-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1cc(Cl)ccc1Cl)/c1nc(O)c2c(n1)cccc2

STK580690
Synonyms: 4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK580691
Synonyms: (4E)-1-butyl-4-[hydroxy(4-nitrophenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C1=O

STK580692
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-[(2,4-dichlorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1Cl)Cl)C(=O)Nc1c2cccc1)cccc3

STK580694
Synonyms: 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NC1CC(C)(C)NC(C1)(C)C

STK580695
Synonyms: 5-(3,4-dichlorophenyl)-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)N/N=C(/c1ccc2c(c1)cccc2)\C

STK580696
Synonyms: 5,7-dichloro-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)c(Cl)cc(c1)Cl

STK580697
Synonyms: 4-({(E)-[4-(benzyloxy)phenyl]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/c1ccc(cc1)OCc1ccccc1

STK580698
Synonyms: 8-(2-ethylphenyl)-4-hydroxy-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: CCc1ccccc1n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK580700
Synonyms: (5E)-2-hydroxy-1-phenyl-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]pyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(O)N(C(=O)/C/1=C/c1cccn1c1ccccc1)c1ccccc1

STK580701
Synonyms: 1-(4-chlorophenyl)-2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1cccc(c1)Cl

STK580702
Synonyms: (4E)-5-(3-butoxyphenyl)-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: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK580704
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(ccc1O)/C(=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N)/C

STK580705
Synonyms: N-[(2E)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-(propan-2-yloxy)benzamide
Smiles: CC(Oc1cccc(c1)C(=O)/N=c\1/scc([nH]1)c1ccc(cc1)C)C

STK580706
Synonyms: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCCc1ccc(c(c1)OC)OC)c1ccccc1[N+](=O)[O-]

STK580708
Synonyms: {[(2,4-dichlorophenyl)amino][(2-oxo-2-phenylethyl)sulfanyl]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1Cl)Cl)SCC(=O)c1ccccc1)C#N

STK580709
Synonyms: 2-[(3a'S,6a'R)-5-chloro-5'-(4-fluorobenzyl)-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)Cc1ccc(cc1)F)C(=O)Nc1c2cc(Cl)cc1

STK580711
Synonyms: N-(1-hydroxybutan-2-yl)-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: CCC(NC(=O)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)CO

STK580712
Synonyms: (2E)-3-(3,4-dimethoxyphenyl)-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)/N=c\2/[nH]nc(s2)C(C)C)ccc1OC

STK580713
Synonyms: methyl(Z)-3,3,3-trifluoro-2-{[(4-fluorophenyl)carbonyl]amino}-N-[6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]alaninate
Smiles: COC(=O)C(C(F)(F)F)(/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C)NC(=O)c1ccc(cc1)F

STK580714
Synonyms: 8-(3-chlorophenyl)-10-methyl-2-[(2-methylphenoxy)methyl]-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)COc1ccccc1C)C

STK580715
Synonyms: 2-[(2,5-dichlorophenyl)sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl

STK580719
Synonyms: (3S,3a'R,8a'S,8b'S)-5-ethyl-2'-[2-(trifluoromethyl)phenyl]-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: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F

STK580720
Synonyms: 3-[(3a'S,6a'R)-6-chloro-5'-(3,5-dimethylphenyl)-7-methyl-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)c1cc(C)cc(c1)C)C(=O)Nc1c2ccc(c1C)Cl

STK580721
Synonyms: 2'-hydroxy-1'-(4-methylbenzyl)-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
Smiles: Cc1ccc(cc1)CN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2)O

STK580722
Synonyms: methyl5-hydroxy-2-phenyl-1,2,3,4-tetrahydro[1]benzothieno[3'',2'':5',6']pyrimido[1',2':1,5]pyrrolo[2,3-b]quinoxaline-7-carboxylate
Smiles: COC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c2sc2c1CCC(C2)c1ccccc1

STK580723
Synonyms: 1-(3,4-diethoxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1OCC)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580724
Synonyms: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[3-(pentyloxy)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nccs1

STK580725
Synonyms: 10-(3-chlorophenyl)-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)c1cccc(c1)Cl

STK580726
Synonyms: 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(O)nc(=O)n2C)C

STK580727
Synonyms: ethyl2-amino-1-(2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}ethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCNC(=O)c1cc(OC)c(c(c1)OC)OC

STK580728
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK580732
Synonyms: 2-(ethylsulfanyl)-5-hydroxy-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CCSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccc(cc1)C

STK580733
Synonyms: 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK580734
Synonyms: N-(3,5-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1c1cccc(c1)C

STK580735
Synonyms: N-(3-methoxypropyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: COCCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCCC2

STK580736
Synonyms: 7-(2,3-dihydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C)O

STK580737
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)OC)nnc1COc1ccc(cc1)Cl

STK580738
Synonyms: 8-{(E)-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
Smiles: O=c1[nH]c2cc3OCCOc3cc2cc1/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1

STK580740
Synonyms: 2-(10-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)c1c(s2)ncn2c1nc(n2)c1ccccc1C(=O)O

STK580741
Synonyms: 2-[4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CCCN1C(=O)c2c(C1=O)cccc2

STK580743
Synonyms: ethyl4-[({[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK580744
Synonyms: 6-(7,7-dimethyl-2-phenyl-4-thioxo-7,8-dihydro-4H-pyrano[4,3-d]pyrimidin-1(5H)-yl)hexanoicacid
Smiles: OC(=O)CCCCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1

STK580746
Synonyms: 9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O

STK580747
Synonyms: 1-(2,5-dimethoxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1C1N(c2nccs2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C)OC

STK580748
Synonyms: N-(1'-tert-butyl-2',4',6'-trioxo-1',3',4',6',6a,7,8,9,10,11-decahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidin]-3-yl)-4-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)CC1(C3N2CCCCC3)C(=O)NC(=O)N(C1=O)C(C)(C)C

STK580749
Synonyms: methyl[4-(7-ethyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)piperazin-1-yl]acetate
Smiles: COC(=O)CN1CCN(CC1)c1nc2c(n1CC)c(O)nc(=O)n2C

STK580750
Synonyms: 2-{[5-(3-chlorophenyl)-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)nnc1c1cccc(c1)Cl

STK580751
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)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)c2ccccc2Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK580752
Synonyms: 6-(azepan-1-yl)-5-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)C2CCCC2)c(n(c1=O)C)N1CCCCCC1

STK580753
Synonyms: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(4-methylphenyl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccc(cc1)C

STK580756
Synonyms: 6,6-dimethyl-9-(pyridin-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccn2)ncn3)CC(C1)(C)C

STK580757
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1CC)c1ccccc1OC

STK580758
Synonyms: 5-pentyl-3-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylhexanoate
Smiles: CCCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCCC)cccc3)CCC

STK580759
Synonyms: 3-methoxy-N-[(3Z)-6-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]propanamide
Smiles: CCCn1[nH]/c(=N\C(=O)CCOC)/c2c1nc1ccc(cc1c2)C

STK580760
Synonyms: [amino(phenyl)methyl](2-phenylethyl)phosphinicacid
Smiles: NC(P(=O)(CCc1ccccc1)O)c1ccccc1

STK580761
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-N'-[(E)-pyridin-4-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccncc1

STK580762
Synonyms: 7-hydrazinyl-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Smiles: NNc1cc(C)nc2n1nc(c2c1ccccc1)C(F)(F)F

STK580764
Synonyms: 4-chloro-3-(5-{(Z)-[1-(2-fluorobenzyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C/1\N=C(N(C1=O)Cc1ccccc1F)O)Cl

STK580766
Synonyms: N-[2-(2-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)nc1n2CCN(C1)CCc1ccccc1

STK580767
Synonyms: 1-[2-(cyclohex-1-en-1-yl)ethyl]-3-(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)thiourea
Smiles: S=C(Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)NCCC1=CCCCC1

STK580768
Synonyms: 2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2CC)nnc1COc1ccc(cc1)C

STK580769
Synonyms: (3a'R,8b'S)-5-bromo-2'-(2-phenylethyl)-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: Brc1ccc2c(c1)C1(C(=O)N2)N2CCCC2[C@@H]2[C@H]1C(=O)N(C2=O)CCc1ccccc1

STK580771
Synonyms: 7-(2-ethoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK580772
Synonyms: 2-{5-[(3-methoxybenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: COc1cccc(c1)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK580774
Synonyms: (2Z)-2-[(2E)-benzylidenehydrazinylidene]-N-(3,4-dimethylphenyl)-4-hydroxy-5,6-dihydro-2H-1,3-thiazine-6-carboxamide
Smiles: O=C(C1CC(=N/C(=N/N=C/c2ccccc2)/S1)O)Nc1ccc(c(c1)C)C

STK580775
Synonyms: N-(2,3-dimethylphenyl)-2,2-dimethyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: Cc1c(C)cccc1N(C(=O)C(C)(C)C)Cc1cc2ccccc2[nH]c1=O

STK580776
Synonyms: N-(4-methoxyphenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)c1cccc(c1)OC

STK580777
Synonyms: 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)S

STK580779
Synonyms: N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(CN1CCc2c(C1)cc1c(c2)OCCCO1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

STK580781
Synonyms: N-(4-bromophenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK580782
Synonyms: (4E)-1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc(o2)C)/O)/C1c1ccccc1F

STK580784
Synonyms: 14-(4-chlorophenyl)-3,3-dimethyl-2,3,4,6,7,14-hexahydro-1H-[1,3]dioxolo[6,7]isoquino[2,1-a]quinolin-1-one
Smiles: Clc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCOc2c1

STK580785
Synonyms: N-(3-chloro-4-methylphenyl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK580787
Synonyms: 2-phenyl-N-[3-(1H-tetrazol-1-yl)phenyl]butanamide
Smiles: CCC(c1ccccc1)C(=O)Nc1cccc(c1)n1cnnn1

STK580788
Synonyms: 1'-(4-methoxyphenyl)-3-methyl-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: COc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1ccccc1N1C2CN(C)CC1

STK580789
Synonyms: 2-(2-fluorophenyl)-4-[3-(propan-2-yl)phenoxy]quinazoline
Smiles: Fc1ccccc1c1nc(Oc2cccc(c2)C(C)C)c2c(n1)cccc2

STK580790
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc2c(c1)OCCO2

STK580791
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1c1cccc(c1)C

STK580793
Synonyms: 6-({4-chloro-N-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoyl]phenylalanyl}amino)hexanoicacid
Smiles: COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)NC(C(=O)NCCCCCC(=O)O)Cc1ccc(cc1)Cl

STK580794
Synonyms: (1S)-2-methyl-1-{5-[(3-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}propan-1-amine
Smiles: CC([C@@H](c1nnc(o1)S(=O)(=O)Cc1cccc(c1)C)N)C

STK580797
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK580798
Synonyms: 2-{5-[(2,5-dimethylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: Cc1ccc(c(c1)CSc1nnc(n1c1ccccc1)c1cnccn1)C

STK580799
Synonyms: methyl(2S)-2-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoate
Smiles: COC(=O)[C@@H](N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C

STK580801
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-methylphenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccccc1C

STK580803
Synonyms: (5E)-3-(4-ethylphenyl)-6-hydroxy-5-{[2-(2-hydroxyethyl)hydrazinyl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: OCCNN/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)CC)O

STK580804
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-cyclohexyl-3-(3,4-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C1CCCCC1

STK580805
Synonyms: 2-(4-methoxyphenyl)-7,7-dimethyl-4-[(3-methylbutyl)sulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: COc1ccc(cc1)c1nc(SCCC(C)C)c2c(n1)CC(OC2)(C)C

STK580806
Synonyms: 2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]-N-(4-sulfamoylbenzyl)acetamide
Smiles: O=C(NCc1ccc(cc1)S(=O)(=O)N)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK580807
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-phenylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1

STK580808
Synonyms: 4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: COc1c(/C=N/Nc2ncnc3c2c2CCCCc2s3)cccc1OC

STK580809
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1ccccn1

STK580811
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2-chlorophenyl)carbonyl]-3'-[(3,4-dimethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3

STK580812
Synonyms: 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(c(c1OC)OC)/C=N/NC(=O)CC1C(=NN=C1O)C

STK580813
Synonyms: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxybenzyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)CN1CNc2c(C1)c(=O)nc(n2CCc1ccc(c(c1)OC)OC)S

STK580814
Synonyms: (3R,3'S,3a'S,6a'R)-3'-[2-(methylsulfanyl)ethyl]-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: CSCC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)C(F)(F)F)C(=O)Nc1c2cccc1

STK580816
Synonyms: 5-bromo-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-dihydro-2H-indol-2-one
Smiles: COc1cc(cc(c1OC)OC)C(=O)CC1(O)C(=O)Nc2c1cc(Br)cc2

STK580817
Synonyms: (3a'S,6a'R)-5'-butyl-3'-(3,4-dihydroxybenzyl)-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: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(F)cc2

STK580818
Synonyms: 5-(2-methylphenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1C

STK580819
Synonyms: 1-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n(c1=O)CCN(C)C

STK580820
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-6-methoxy-1H-indole-2-carbohydrazide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N/N=C/c1ccccc1O

STK580822
Synonyms: 3-amino-N-(2,2-diphenylethyl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccncc1)NCC(c1ccccc1)c1ccccc1

STK580823
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(OC)ccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)NC2=O

STK580824
Synonyms: 2-ethyl-3-(4-fluorophenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCc1nc2c(c(=O)n1c1ccc(cc1)F)c(=O)c1c(n2C)cccc1

STK580825
Synonyms: 4-hydroxy-8-(3-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1cccc(c1)n1c(cn2c1nc1c2c(O)nc(=O)n1C)c1ccccc1

STK580827
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1cccc(c1C)Cl

STK580828
Synonyms: 3-(3-chlorophenyl)-5-[(3-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: Cc1cccc(c1)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK580831
Synonyms: 1-(2-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1F)C

STK580832
Synonyms: [3-(1H-pyrazol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]aceticacid
Smiles: OC(=O)Cn1c(n[nH]c1=S)c1ccn[nH]1

STK580834
Synonyms: 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c2nc(n(c2c(=O)n1C)CCc1ccccc1)CN1CCN(CC1)c1ccccc1

STK580837
Synonyms: 9-(4-ethoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCOc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SC

STK580838
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-4-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: COc1cc(ccc1O)C1CC(=O)Nc2c1c(O)nc(n2)SCc1ccc(cc1)Cl

STK580840
Synonyms: N'-{(E)-[5-bromo-2-(prop-2-en-1-yloxy)phenyl]methylidene}-3,4-dichlorobenzohydrazide
Smiles: C=CCOc1ccc(cc1/C=N/NC(=O)c1ccc(c(c1)Cl)Cl)Br

STK580841
Synonyms: N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-L-alanyl-S-benzyl-L-cysteine
Smiles: O=C(N[C@H](C(=O)N[C@H](C(=O)O)CSCc1ccccc1)C)CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

STK580842
Synonyms: 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1c2ccccc2cc2c1cccc2

STK580843
Synonyms: 4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]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/C=C/c1ccco1

STK731107
Synonyms:
Smiles: O=S(=O)(c1cccc2c1nsn2)NC1CCCCC1

STK593510
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1ccc2c(c1)OCO2)C

STK584718
Synonyms:
Smiles: O=C(N1CCN(CC1)c1ccccc1F)COc1cccc2c1nsn2

STK731105
Synonyms:
Smiles: CN(S(=O)(=O)c1cccc2c1nsn2)C

STK571877
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NCC(c1ccccc1)c1ccccc1)C

STK731109
Synonyms:
Smiles: Cc1n(C)n(c(=O)c1NS(=O)(=O)c1cccc2c1nsn2)c1ccccc1

STK731114
Synonyms:
Smiles: CCC(C(C(=O)O)NS(=O)(=O)c1cccc2c1nsn2)C

STK786339
Synonyms:
Smiles: COc1ccc(cc1)C1=NO[C@@H]2C1/C(=N/NC(=O)c1cc3c([nH]1)ccc(c3)F)/[C@H]1OC2CO1

STK731113
Synonyms:
Smiles: Fc1cccc(c1)NS(=O)(=O)c1cccc2c1nsn2

STK731110
Synonyms:
Smiles: CC(C(=O)O)NS(=O)(=O)c1cccc2c1nsn2

STK563464
Synonyms:
Smiles: Clc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)c1ccc(cc1)Cl)NS(=O)(=O)c1cccc2c1nsn2

STK731111
Synonyms:
Smiles: CSCCC(C(=O)O)NS(=O)(=O)c1cccc2c1nsn2

STK673441
Synonyms:
Smiles: [O-][N+](=O)[N-][S+](=O)(c1ccccc1)c1ccccc1

STK590802
Synonyms:
Smiles: CCC([C@@H](C(=O)NCc1ccc(cc1)C)NC(=O)N1CCn2c1nc1c2cccc1)C

STK583967
Synonyms:
Smiles: CCC([C@@H](C(=O)NCCc1ccc(c(c1)OC)OC)NC(=O)N1CCn2c1nc1c2cccc1)C

STK584698
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)NCc1ccc(c(c1)OC)OC)C

STK671271
Synonyms:
Smiles: CO/N=C(\C1[C@@H](CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)C([N+](=O)[O-])C)/C

STK735830
Synonyms:
Smiles: O=c1c2c(sc3c2CCCC3)nc(n1Cc1ccccc1)SCc1cccc2c1nsn2

STK731103
Synonyms:
Smiles: COc1ccc(cc1)NS(=O)(=O)c1cccc2c1nsn2

STK731101
Synonyms:
Smiles: OC(=O)C1CCCCN1S(=O)(=O)c1cccc2c1nsn2

STK535370
Synonyms: [(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]propanedinitrile
Smiles: N#CC(C(c1c(C)nn(c1O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])C#N

STK559889
Synonyms: 2,2,2-trifluoro-1-[3-(furan-2-yl)-1-hydroxy-11-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2cccc(c2)[N+](=O)[O-])C(=O)C(F)(F)F)cccc3)CC(C1)c1ccco1

STK835124
Synonyms: 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(o1)c1ccccc1Cl)c(C)n[nH]2

STK580847
Synonyms: methylN-[(4-phenoxyphenyl)carbamoyl]-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)Oc1ccccc1)CC(C)C

STK580849
Synonyms: 7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(propan-2-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(Oc1ccc(cc1)C1N(c2scc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br)C

STK580850
Synonyms: 3-benzyl-2-propyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1

STK580852
Synonyms: 8-(4-bromophenyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Brc1ccc(cc1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C

STK580853
Synonyms: 5-methyl-N-[3-(morpholin-4-yl)propyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CCC2)NCCCN1CCOCC1

STK580855
Synonyms: 4-{(E)-hydroxy[2-(4-hydroxy-3-methoxyphenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene]methyl}-N,N-dimethylbenzenesulfonamide
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N(C)C)/O)/C1c1ccc(c(c1)OC)O

STK580856
Synonyms: 6-(3-fluorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: Fc1cccc(c1)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2

STK580858
Synonyms: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCc1cccc(c1)C(F)(F)F

STK580859
Synonyms: 3-butyl-2,6-dihydroxy-5-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}pyrimidin-4(3H)-one
Smiles: CCCCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1)C(C)C)O

STK580861
Synonyms: (4E)-4-{[(4-ethoxyphenyl)amino]methylidene}-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCOc1ccc(cc1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(n1)C

STK580862
Synonyms: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]prop-2-enamide
Smiles: O=C(/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-])/C=C/c1ccc2c(c1)OCO2

STK580863
Synonyms: 2-[(3a'S,6a'R)-5-chloro-5'-(2-chlorobenzyl)-7-methyl-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)Nc1c2cc(Cl)cc1C

STK580864
Synonyms: N-(3-ethoxypropyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCOCCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCCC2

STK580865
Synonyms: (5E)-5-({[2-(diethylamino)ethyl]amino}methylidene)-6-hydroxy-3-(4-iodophenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN(CCN/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)I)O)CC

STK580866
Synonyms: 4-[(2E)-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}hydrazinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CC(n1cc(c2c1cccc2)/C=N/Nc1ncnc2c1c1CCCCc1s2)C

STK580868
Synonyms: 1-[1-hydroxy-11-(4-methoxyphenyl)-3-methyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C)cccc2)C

STK580869
Synonyms: [4-(3-chlorophenyl)piperazin-1-yl](6-methoxy-1H-indol-2-yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCN(CC1)c1cccc(c1)Cl

STK580870
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1c(OC)cc(cc1OC)OC

STK580871
Synonyms: (2-bromo-4,6-dimethyl-1-benzofuran-3-yl)aceticacid
Smiles: OC(=O)Cc1c(Br)oc2c1c(C)cc(c2)C

STK580872
Synonyms: N-{4-[(2-chlorobenzyl)oxy]phenyl}-6-ethoxy-2-methylquinolin-4-amine
Smiles: CCOc1ccc2c(c1)c(Nc1ccc(cc1)OCc1ccccc1Cl)cc(n2)C

STK580873
Synonyms: 10-(2-hydroxy-3-methoxyphenyl)-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)c1cccc(c1O)OC

STK580874
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580875
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-[(4-methylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3

STK580876
Synonyms: (5S)-5-benzyl-3-(prop-2-en-1-yl)imidazolidine-2,4-dione
Smiles: C=CCN1C(=O)N[C@H](C1=O)Cc1ccccc1

STK580877
Synonyms: (4E)-1-(3-chloro-4-methylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(c(c1)Cl)C

STK580878
Synonyms: 3-(4-bromobenzyl)-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)Br

STK580879
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)C

STK580880
Synonyms: (4E)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-phenylisoquinoline-1,3(2H,4H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)c2c(/C/1=C\NCCCN1CCOCC1)cccc2

STK580881
Synonyms: 8-[4-(3-chlorophenyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1)N1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C

STK580883
Synonyms: 9-(4-fluorophenyl)-1-methyl-3-(3-methylbutyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F)C

STK580884
Synonyms: 6-[3-(benzyloxy)propyl]-7-methyl-6H-indolo[2,3-b]quinoxaline
Smiles: Cc1cccc2c1n(CCCOCc1ccccc1)c1c2nc2c(n1)cccc2

STK580885
Synonyms: 1-{5-chloro-4-[(2,5-dimethoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylicacid
Smiles: COc1ccc(c(c1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3)OC

STK580887
Synonyms: N-(4-bromophenyl)-2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Br)nnc1COc1ccc(cc1)C

STK580889
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-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: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2)C

STK580890
Synonyms: N-{(1Z)-1-[1-cyano-2-oxo-2-(phenylamino)ethylidene]-1H-isoindol-3-yl}-4-fluorobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)F)/C(=O)Nc1ccccc1

STK580892
Synonyms: 4-(4-bromophenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)Br)c([nH]n2)c1cc(Cl)c(cc1O)C

STK580893
Synonyms: 5-{[(2Z)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1Cc1ccc(cc1)F)CS(=O)(=O)C2

STK580894
Synonyms: 7-ethyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK580895
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-(pyridin-3-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)c1cccnc1)C(=O)Nc1c2cccc1)cccc3

STK580896
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Fc1ccccc1c1nnc(n1Cc1ccco1)SCc1c(Cl)cccc1Cl

STK580897
Synonyms: 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)N=C(CC1c1ccc(cc1)OCc1ccccc1)O

STK580898
Synonyms: 1-{N-[3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanyl}piperidine-4-carboxamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NCCC(=O)N1CCC(CC1)C(=O)N

STK580899
Synonyms: 2-[(6,8-dichloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)CSc1nnc2n1cc(Cl)cc2Cl

STK580900
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1Cc1ccco1

STK580902
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1COc1ccc(cc1)C

STK580903
Synonyms: N-(2,6-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2C)nnc1COc1ccccc1

STK580904
Synonyms: 3-[2,6,8-trioxo-10-(pyridin-3-yl)-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(=O)[nH]1

STK580906
Synonyms: 11-(2-methoxyphenyl)-10-methyl-2-[(4-methylphenoxy)methyl]-8-phenyl-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)COc1ccc(cc1)C)c1ccccc1

STK580907
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
Smiles: O=C(NC1CCCc2c1cccc2)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK580908
Synonyms: N,4-bis(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1n2cc(n3c2c(c1c1ccccc1)CCCC3)c1ccc(cc1)OC

STK580909
Synonyms: 1-(3-ethoxyphenyl)-7-fluoro-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK580911
Synonyms: (2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-[(3-nitrophenyl)carbonyl]-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)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3)c1ccc2c(c1)OCO2

STK580912
Synonyms: ethyl3-[({4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)amino]benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK580913
Synonyms: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(4-fluorophenyl)acetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2)Cc1ccc(cc1)F

STK580914
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1c1cccc(c1)C

STK580915
Synonyms: 8-(4-fluorophenyl)-1-methyl-3-(naphthalen-1-ylmethyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Fc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc2c1cccc2

STK580916
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK580917
Synonyms: 8-{[benzyl(methyl)ammonio]methyl}-3-(naphthalen-2-yloxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F)Cc1ccccc1

STK580918
Synonyms: N-[(Z)-(5-iodofuran-2-yl)methylidene]-N-methylamineoxide
Smiles: [O-]/[N+](=C\c1ccc(o1)I)/C

STK580919
Synonyms: 7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK580920
Synonyms: (2E,5Z)-2-[(4-bromophenyl)imino]-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Brc1ccc(cc1)/N=C\1/S/C(=C\c2cccn2C)/C(=N1)O

STK580921
Synonyms: N-(3-methoxyphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK580922
Synonyms: 7-(3-chlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C

STK580926
Synonyms: methyl{2-[(2,6-dichlorobenzyl)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)NCc1c(Cl)cccc1Cl

STK580927
Synonyms: (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2-hydroxy-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: CCOc1ccc2c(c1/C=C\1/N=C(N(C1=O)c1ccccc1)O)cccc2

STK580928
Synonyms: (4Z)-2-(2,4-dichlorophenyl)-4-(3-propoxybenzylidene)-1,3-oxazol-5(4H)-one
Smiles: CCCOc1cccc(c1)/C=C/1\N=C(OC1=O)c1ccc(cc1Cl)Cl

STK580931
Synonyms: methyl(1-{7-methyl-4-oxo-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCNC(=O)C2CC(=O)OC)/C1=O

STK580932
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(N/N=C/c2ccccc2)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK580933
Synonyms: (4E)-1-hexadecyl-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK580935
Synonyms: 2'-hydroxy-1'-(4-methylbenzyl)-1,2,3,4,5,5a-hexahydro-4'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-4',6',8(1'H)-trione
Smiles: Cc1ccc(cc1)CN1C(=NC(=O)C2(C1=O)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2)O

STK580936
Synonyms: (4Z)-2-(3-chlorophenyl)-4-[2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-ylidene]-1,3-oxazol-5(4H)-one
Smiles: COc1cc(cc(c1OC)OC)C1=C/C(=C\2/N=C(OC2=O)c2cccc(c2)Cl)/c2c(O1)cccc2

STK580937
Synonyms: 2-{[2-(dimethylamino)ethyl]amino}-3-(furan-2-ylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CN(CCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3)C

STK580938
Synonyms: N-[(3Z)-1-butyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-methoxyacetamide
Smiles: CCCCn1[nH]/c(=N\C(=O)COC)/c2c1nc1ccccc1c2

STK580939
Synonyms: (4E)-6-[(4-benzylpiperazin-1-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1nc(CN2CCN(CC2)Cc2ccccc2)[nH]/c(=N\c2ccc3c(c2)OCCO3)/n1

STK580940
Synonyms: propan-2-yl{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl)C

STK580941
Synonyms: 1-benzyl-N-butyl-N-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)C

STK580942
Synonyms: N'-(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)-N,N-dimethylpropane-1,3-diamine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCCN(C)C

STK580943
Synonyms: 6-(4-methoxyphenyl)-10-(methylsulfanyl)-7-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1Oc2ccccc2C2=C1C(c1cccs1)n1c(=N2)[nH]c(n1)SC

STK580944
Synonyms: 9-[4-(benzyloxy)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2ccc(cc2)OCc2ccccc2)ncn3)CCC1

STK580945
Synonyms: 6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: OCC(n1cc2c(c1c1ccccc1)c(=O)n(c(=O)n2C)C)(C)C

STK580946
Synonyms: N-[4-({(E)-[1-(2,5-dimethoxyphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: COc1ccc(cc1N1C(=O)N=C(/C(=C\Nc2ccc(cc2)NC(=O)C)/C1=O)O)OC

STK580948
Synonyms: 1-benzyl-6-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CCc1ccccc1)CN2)Cc1ccccc1

STK580950
Synonyms: 3-(1H-benzimidazol-2-yl)-N-(2-methoxyethyl)propanamide
Smiles: COCCNC(=O)CCc1nc2c([nH]1)cccc2

STK580952
Synonyms: (4E)-1-(3-chloro-4-methylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccccc1C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(c(c1)Cl)C

STK580953
Synonyms: (2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)OC(F)(F)F)C

STK580955
Synonyms: 2-[(dimethylammonio)methyl]-3-nitrophenolate
Smiles: C[NH+](Cc1c([O-])cccc1[N+](=O)[O-])C

STK580957
Synonyms: (4Z)-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-[(3-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2cccc(c2)C)/[nH]1

STK580958
Synonyms: (5Z)-3-benzyl-6-hydroxy-5-[5-(4-methoxyphenyl)pyrazolidin-3-ylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)C1NN/C(=C\2/C(=NC(=O)N(C2=O)Cc2ccccc2)O)/C1

STK580959
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-[(2,4-dichlorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK580960
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCc1c(Cl)cccc1Cl

STK580961
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-methylphenyl)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)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C

STK580963
Synonyms: 2-chloro-3-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]-7-methoxyquinoline
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/N=c/1\[nH]c2c([nH]1)cccc2)Cl

STK580965
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
Smiles: CCc1cccc(c1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F)C

STK580966
Synonyms: 6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[2-(propan-2-ylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)CCn1c(NN=C(C)C)nc2c1c(O)nc(=O)n2C

STK580969
Synonyms: N-(3-methoxybenzyl)-2-(10-methoxy-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Smiles: COc1cccc(c1)CNC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)OC

STK580970
Synonyms: 1-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccccc1

STK580971
Synonyms: N-(2-chlorophenyl)-4-(4-chlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Fc1ccc(cc1)c1c(C(=O)Nc2ccccc2Cl)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STK580972
Synonyms: 1,6,7-trimethyl-8-(4-methylphenyl)-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1ccc(cc1)n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCN1CCCCC1

STK580973
Synonyms: 2-(4-chlorophenyl)-8-methoxy-3-pentyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: CCCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)c1ccc(cc1)Cl

STK580976
Synonyms: 3-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-7-nitro-1-benzothiophene-2-carboxamide
Smiles: N#Cc1c(NC(=O)c2sc3c(c2Cl)cccc3[N+](=O)[O-])sc2c1CCC2

STK580977
Synonyms: N-(4-{[7-(4-chlorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nn2c(=NC(=CC2c2ccc(cc2)Cl)c2ccccc2)[nH]1

STK580978
Synonyms: 2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]butanamide
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)C(C)C

STK580979
Synonyms: 4-{[(E)-(4-chlorophenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Cl

STK580980
Synonyms: 8-(4-chlorophenyl)-2-(3,4-dimethoxybenzyl)-11-(furan-2-yl)-10-methyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccc(cc1)Cl

STK580981
Synonyms: 4-ethyl-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)cc(c1cc2)CC

STK580982
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1C(F)(F)F)Cl)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK580983
Synonyms: methyl4-[({[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1cccc(c1)Cl

STK580984
Synonyms: 8-methoxy-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3OC

STK580986
Synonyms: (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(prop-2-en-1-yl)pyrrolidine-2,3-dione
Smiles: C=CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)Br

STK580987
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: CC[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C1=O)CC

STK580988
Synonyms: 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl6-[(tert-butoxycarbonyl)amino]hexanoate
Smiles: O=C(Oc1ccc2c(c1C)oc(=O)c1c2CCC1)CCCCCNC(=O)OC(C)(C)C

STK580989
Synonyms: {[(3-fluorobenzyl)sulfanyl][(4-fluorophenyl)amino]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCc1cccc(c1)F)C#N

STK580990
Synonyms: N-[4-(acetylamino)phenyl]-2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK580993
Synonyms: (4E)-2-[2-chloro-5-(trifluoromethyl)phenyl]-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(ccc1Cl)C(F)(F)F

STK580997
Synonyms: N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-1,4-dihydroquinolin-2-yl]cyclohexanecarboxamide
Smiles: COc1cc(cc(c1OC)OC)c1c(NC(=O)C2CCCCC2)n(C)c2c(c1=O)cccc2

STK580999
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK581001
Synonyms: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1c1cccc(c1)Cl

STK581002
Synonyms: 3-(benzylsulfanyl)-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#Cc1c(Nc2ccc(cc2)C)n2c(SCc3ccccc3)nnc2c2c1CC(C)(C)OC2

STK581004
Synonyms: N-[4-(diethylamino)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1cccc(c1)C)CC

STK581005
Synonyms: (5E)-3-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\c2cc(n(c2C)C)C)/C(=O)N1c1ccc2c(c1)OCO2

STK581006
Synonyms: N-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-4-nitrobenzamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccc(cc1)[N+](=O)[O-])C

STK581008
Synonyms: N'-[(E)-(4-ethoxyphenyl)methylidene]-4-methoxy-1H-indole-2-carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)cccc2OC

STK581009
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[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]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK581012
Synonyms: (2E,5Z)-5-(3-fluorobenzylidene)-2-(pyridin-3-ylimino)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Fc1cccc(c1)/C=C/1\S/C(=N/c2cccnc2)/N=C1O

STK581013
Synonyms: 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1cc(C)ccc1C

STK581014
Synonyms: 3-{[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-yl]amino}propan-1-ol
Smiles: OCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK581015
Synonyms: N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-5-ethoxy-1H-indole-2-carbohydrazide
Smiles: CCOc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1ccc(cc1O)O

STK581016
Synonyms: 2-(4-chlorophenyl)-4-(thiophen-2-ylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C1N(C2C(=O)c2cccs2)CCC1

STK581018
Synonyms: (8aR)-7-(4-fluorobenzyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Smiles: O=C1N(CC(=O)N2[C@H]1CSC2)Cc1ccc(cc1)F

STK581019
Synonyms: 3-(benzyloxy)-N-{[(2E)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]carbamothioyl}benzamide
Smiles: Cc1ccc(cc1)c1cs/c(=N/C(=S)NC(=O)c2cccc(c2)OCc2ccccc2)/[nH]1

STK581022
Synonyms: 7-(2-chlorophenyl)-3-(thiophen-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1cccs1

STK581023
Synonyms: N-[(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]norvalyl-S-benzyl-D-cysteine
Smiles: CCCC(C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C

STK581024
Synonyms: (3E)-3-[4-(dimethylamino)benzylidene]-8-ethoxy-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: CCOc1ccc2c(c1)sc1=NC(=O)/C(=C/c3ccc(cc3)N(C)C)/C(=N)n21

STK581026
Synonyms: 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-ylN-[(benzyloxy)carbonyl]-D-isoleucinate
Smiles: CC[C@@H]([C@H](C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NC(=O)OCc1ccccc1)C

STK581027
Synonyms: (5S)-3-butyl-5-(2-methylpropyl)imidazolidine-2,4-dione
Smiles: CCCCN1C(=O)N[C@H](C1=O)CC(C)C

STK581029
Synonyms: (5E)-3-benzyl-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)Cc1ccccc1)O)/NCCc1c[nH]c2c1cccc2

STK581030
Synonyms: N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccccc1)Cc1cc2cccc(c2[nH]c1=O)C

STK581031
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1N)c1n[nH]c(c1)C

STK581033
Synonyms: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C

STK581034
Synonyms: (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2

STK581036
Synonyms: 2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1c1cccc(c1)Cl

STK581037
Synonyms: N-[(2Z)-3-(4-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)Cl)CS(=O)(=O)C2

STK581038
Synonyms: 2-(5-{(Z)-[4-hydroxy-1-(3-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1)OC)O

STK581039
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK581040
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-ethoxy-4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK581043
Synonyms: 9-(3,5-difluorophenyl)-2,6,6-trimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1cc(F)cc(c1)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)(C)C

STK581044
Synonyms: 2-(furan-2-yl)-3-(4-methoxybenzyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccco1

STK581046
Synonyms: 2-(morpholin-4-ium-4-yl)-5-{[4-(pyrrolidin-1-yl)benzyl]amino}benzoate
Smiles: [O-]C(=O)c1cc(NCc2ccc(cc2)N2CCCC2)ccc1[NH+]1CCOCC1

STK581048
Synonyms: (E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)Cc1ccc[nH+]c1)/[O-])C

STK581051
Synonyms: 4-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1cc(/C=N/n2c(=S)[nH]nc2c2ccccc2C)c(c(c1)Br)O

STK581052
Synonyms: (2Z)-2-(3,4-dichlorobenzylidene)-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(c(c1)Cl)Cl)/C2=O

STK581056
Synonyms: 2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK581057
Synonyms: 2-(2,3-dichlorophenyl)-4-[(4-fluorophenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1cccc(c1Cl)Cl

STK581058
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-cyclohexyl-3-(2,4-dichlorophenyl)-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)C1CCCCC1

STK581061
Synonyms: 4-[(E)-{[3-(4-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O

STK581063
Synonyms: 8-(2,5-dimethyl-1H-pyrrol-1-yl)-2',6'-dihydroxy-3-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)n2c(C)ccc2C)C(=NC(=NC1=O)O)O

STK581065
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1cc(C)cc(c1O)C

STK581067
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)C)nnc1c1cccc(c1)C

STK581068
Synonyms: 5-(2-bromophenyl)-4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK581069
Synonyms: N-[(2Z)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-methylbenzamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N/C(=O)c2cccc(c2)C)/s1

STK581070
Synonyms: 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
Smiles: CCN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2

STK581074
Synonyms: 1-methyl-3-(2-methylprop-2-en-1-yl)-8-(4-phenoxyphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CC(=C)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)Oc1ccccc1

STK581075
Synonyms: 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK581080
Synonyms: N-[3-(4-bromophenyl)-4-oxo-4H-chromen-2-yl]benzamide
Smiles: Brc1ccc(cc1)c1c(NC(=O)c2ccccc2)oc2c(c1=O)cccc2

STK581082
Synonyms: N-[(2Z)-3-(3-chloro-4-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc(c(c1)Cl)F)CS(=O)(=O)C2)Cc1ccccc1

STK581085
Synonyms: (8S,8aR,11aS)-10-(3,5-dimethylphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: NC(=O)[C@@H]1[C@H]2[C@@H](C3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(C)cc(c1)C

STK581087
Synonyms: N'-{(1E)-1-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/CC

STK581088
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dichlorophenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Cl)Cl)nnc1COc1ccc(cc1)C

STK581089
Synonyms: (4E)-2-(2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/NCCCN2CCOCC2)/c2ccccc2C(=O)N1c1ccccc1C

STK581090
Synonyms: (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)c1nnc(s1)C)/O

STK581091
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-bromophenyl)carbonyl]-3'-[(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]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)Br)C(=O)Nc1c2cccc1)cccc3

STK581094
Synonyms: 6-chloro-2-[(4-methoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccc(cc1)CNc1nn2c(n1)nc(c(c2O)Cl)C

STK581095
Synonyms: 4-{2-[(4-methoxyphenoxy)methyl]-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-yl}-N,N-dimethylaniline
Smiles: COc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccc(cc1)N(C)C)c(C)nn2c1ccccc1

STK581097
Synonyms: 1-[(8-benzyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)amino]propan-2-ol
Smiles: CC(CNc1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1)O

STK581098
Synonyms: 7-benzyl-3-methyl-8-({[5-(piperidin-1-ylmethyl)furan-2-yl]methyl}amino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)NCc1ccc(o1)CN1CCCCC1)C

STK581099
Synonyms: (4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Brc1cccc(c1)C1N(c2nccs2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK581101
Synonyms: 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1cc(cc(=O)c2c1c(C)oc2C)c1cccs1

STK581104
Synonyms: N-(2,2-diphenylethyl)-2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NCC(c1ccccc1)c1ccccc1

STK581105
Synonyms: 4-(3-chlorophenyl)-1-[(4-methoxybenzyl)sulfanyl]-8-methyl-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: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CCN(C3)C

STK581106
Synonyms: 2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-diethylacetamide
Smiles: NCCc1nnc(o1)SCC(=O)N(CC)CC

STK581110
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(3,4-dimethoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK581111
Synonyms: 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: Nc1nc(C)c(c(n1)c1ccc(cc1O)OCc1ccc(cc1)C)c1ccc(cc1)Cl

STK581112
Synonyms: 9-(3-chloro-2-methylphenyl)-4-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: Clc1cccc(c1C)N1CCCn2c1nc1c2c(O)nc(=O)n1C

STK581113
Synonyms: 3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)CCn1nnc2c(c1=O)cccc2

STK581116
Synonyms: 1-tert-butyl4-(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1C)oc(=O)c1c2CCCC1

STK581117
Synonyms: N-[(2E)-3-(3-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide
Smiles: COc1cccc(c1)CN1/C(=N\C(=O)CC(C)C)/SC2C1CS(=O)(=O)C2

STK581120
Synonyms: 3'-(4-ethoxyphenyl)-6'-hydroxy-4-methyl-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O

STK581122
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C

STK581124
Synonyms: methyl4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK581125
Synonyms: 3-(4-methoxyphenyl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl3-methylbutanoate
Smiles: COc1ccc(cc1)n1cc(c2c1nc(CC(C)C)n1c2nc2c1cccc2)OC(=O)CC(C)C

STK581126
Synonyms: 6-(4-fluorophenyl)-2-hydroxy-4-phenylpyridine-3-carbonitrile
Smiles: N#Cc1c(O)nc(cc1c1ccccc1)c1ccc(cc1)F

STK581127
Synonyms: 2-{(3a'S,6a'R)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-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: COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3CC(=O)N)C(=O)Nc3c2cc(F)cc3)ccc1OC

STK581128
Synonyms: 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(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=N1)O

STK581130
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(s1)SCc1ccccc1

STK581131
Synonyms: N-(4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)Cc1cccs1

STK581132
Synonyms: 8-{[bis(2-methylpropyl)ammonio]methyl}-3-(3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1occ(c2=O)Oc1cc(C)cc(c1)C)CC(C)C)C

STK581133
Synonyms: 5-(furan-2-ylmethyl)-N-[(2E)-4,6,7-trimethylquinazolin-2(1H)-ylidene]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1cc2c(C)n/c(=N/C3=NCN(CN3)Cc3ccco3)/[nH]c2cc1C

STK581134
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1COc1ccccc1

STK581136
Synonyms: 7-ethyl-6-hydroxy-3-methyl-8-[4-(4-methylbenzyl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Smiles: CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccc(cc1)C

STK581138
Synonyms: 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-ylN-(tert-butoxycarbonyl)-D-alaninate
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C

STK581139
Synonyms: 1-{3-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl}pyrrolidin-2-one
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCCCN1CCCC1=O

STK581141
Synonyms: 4-{[(E)-(3-nitrophenyl)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/c1cccc(c1)[N+](=O)[O-]

STK581142
Synonyms: 2-bromo-N-cyclohexyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccccc1Br)C1CCCCC1

STK581143
Synonyms: 2-({6-cyano-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)-N-(2,4-dimethoxyphenyl)acetamide
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)Nc3ccc(cc3OC)OC)nnc2c2c1CC(C)(C)OC2

STK581145
Synonyms: N-[3-(1H-tetrazol-1-yl)phenyl]butanamide
Smiles: CCCC(=O)Nc1cccc(c1)n1cnnn1

STK581146
Synonyms: 2-chloro-N-[(1Z)-1-{1-cyano-2-oxo-2-[(2-phenylethyl)amino]ethylidene}-1H-isoindol-3-yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)/C(=O)NCCc1ccccc1

STK581148
Synonyms: (4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Cl)N(C(=O)C1=O)Cc1ccco1)/O

STK581149
Synonyms: 9-hydroxy-7,7-dimethyl-10-(4-methylphenyl)-6,7,8,10-tetrahydro-11H-indeno[1,2-b]quinolin-11-one
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=NC2=C1C(=O)c1c2cccc1)(C)C

STK581150
Synonyms: 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CC(CCn1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl)C

STK581151
Synonyms: (6Z)-4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6-[(2-methoxyphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c/1\nc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)nc([nH]1)N

STK581152
Synonyms: 4-(4-methylphenyl)-3-(phenoxymethyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1COc1ccccc1

STK581154
Synonyms: N-benzyl-2-(9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
Smiles: O=C(Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)F)NCc1ccccc1

STK581155
Synonyms: N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide
Smiles: CC1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK581156
Synonyms: 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(4-sulfamoylbenzyl)propanamide
Smiles: O=C(NCc1ccc(cc1)S(=O)(=O)N)CCc1c(=O)oc2c(c1C)ccc(c2)O

STK581157
Synonyms: 1-(4-chlorophenyl)-6-cyclohexyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C1CCCCC1

STK581159
Synonyms: (4E)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2

STK581160
Synonyms: N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxo-2,5-dihydropyridazin-3-yl]benzamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2ccccc2)n(nc(c1=O)C)c1ccc(c(c1)C)C

STK581161
Synonyms: N-[(2Z)-3-(3-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: Clc1cccc(c1)N1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK581165
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-{[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Smiles: Cc1onc(c1)c1nnc(o1)SCC(=O)/N=c\1/sc2c([nH]1)cccc2

STK581166
Synonyms: 2-hydroxy-3-[(2R)-1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]quinazolin-4(3H)-one
Smiles: Oc1nc2ccccc2c(=O)n1[C@@H](C(=O)N1CCCCC1)Cc1ccccc1

STK581167
Synonyms: N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-4-chlorobenzamide
Smiles: CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)Cl)/C#N

STK581168
Synonyms: (3S)-N-{(1R)-2-[(4-methylphenyl)amino]-2-oxo-1-phenylethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2

STK581169
Synonyms: ethyl2-[1-(3-chlorophenyl)-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(C1c1cccc(c1)Cl)c(=O)c1c(o2)cccc1

STK581171
Synonyms: (4E)-5-(4-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1N(c2nccs2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK581172
Synonyms: (2S)-2-amino-N'-[(E)-(6-methoxyquinolin-2-yl)methylidene]-4-methylpentanehydrazide(non-preferredname)
Smiles: COc1ccc2c(c1)ccc(n2)/C=N/NC(=O)[C@H](CC(C)C)N

STK581175
Synonyms: 8-(2,4-dimethoxyphenyl)-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCCc1ccccc1

STK581178
Synonyms: N-benzyl-2-[(2-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: O=C(CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CCCC3)NCc1ccccc1

STK581179
Synonyms: 7-benzyl-6-hydroxy-3-methyl-8-(pentylamino)-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCNc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STK581180
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK581182
Synonyms: 2-(4-chlorophenyl)-5-ethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1cc(O)n2c(n1)cc(n2)c1ccc(cc1)Cl

STK581183
Synonyms: 3-(2-methylphenyl)-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1ccccc1C

STK581185
Synonyms: N-(2-bromo-4-methylphenyl)-2,4-dihydroxy-6,7-dimethoxyquinoline-3-carboxamide
Smiles: COc1cc2nc(O)c(c(c2cc1OC)O)C(=O)Nc1ccc(cc1Br)C

STK581187
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-methylphenyl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C

STK581188
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-fluorophenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)F

STK581189
Synonyms: 2-[(3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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: N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2

STK581190
Synonyms: 8-methoxy-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: COc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK581192
Synonyms: (3'E)-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)-1-(prop-2-en-1-yl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C21C(=O)N(c1c2cccc1)CC=C

STK581193
Synonyms: (4E)-5-(3-chlorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1nccs1)/O

STK581194
Synonyms: 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(Cc1nc2c(n1CC(C)C)c(=O)n(c(=O)n2C)C)Cc1ccccc1

STK581195
Synonyms: (5E)-5-(1-{[2-(dimethylamino)ethyl]amino}propylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCN(C)C

STK581196
Synonyms: 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1F

STK581197
Synonyms: N-(2,6-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK581198
Synonyms: 2,2,5-trimethyl-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

STK581200
Synonyms: N-benzyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C)Cc1ccccc1

STK581201
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nnc1Cc1cccs1

STK581203
Synonyms: 6-[(dimethylammonio)methyl]-4-ethyl-8-methyl-2-oxo-2H-chromen-7-olate
Smiles: CCc1cc(=O)oc2c1cc(C[NH+](C)C)c(c2C)[O-]

STK581204
Synonyms: 16-(3-methoxyphenyl)-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: COc1cccc(c1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCCCOc2c1

STK581205
Synonyms: 1-{1-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: CCC1CCCCN1c1ncnc(c1)n1ncc(c1C)C(=O)C

STK581206
Synonyms: 10,10-dimethyl-2-[(naphthalen-2-yloxy)methyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)COc1ccc2c(c1)cccc2

STK581208
Synonyms: 1-[4-(benzyloxy)phenyl]-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)OCc1ccccc1)c1noc(c1)C

STK581209
Synonyms: N'-{(E)-[4-hydroxy-1-(2-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: COc1ccccc1N1C(=O)N=C(/C(=C\NNC(=O)c2ccncc2)/C1=O)O

STK581210
Synonyms: 6-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCCc1ccccc1

STK581214
Synonyms: 2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc(OC)c(c1)OC)c1ccc(o1)c1ccc(cc1[N+](=O)[O-])Cl

STK581216
Synonyms: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-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: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK581217
Synonyms: 4-{[(E)-1H-indol-3-ylmethylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1c[nH]c2c1cccc2)C

STK581218
Synonyms: 8-(2,4-dimethoxyphenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1cc(OC)ccc1n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK581219
Synonyms: 2-{4-(4-methylphenyl)-5-[(naphthalen-1-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Cc1ccc(cc1)n1c(SCc2cccc3c2cccc3)nnc1c1ccccn1

STK581220
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1cccnc1

STK581221
Synonyms: (1'S,3R,3'S,7a'S)-7''-methyl-1'-(naphthalen-2-ylcarbonyl)-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: O=C([C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1C)c1ccc2c(c1)cccc2

STK581222
Synonyms: 2,5-bis(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK581223
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(F)ccc1C)/c1scc(n1)c1ccc2c(c1)OCO2

STK581225
Synonyms: 6-(4-chlorophenyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(c(c1)OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccc(cc1)Cl

STK581227
Synonyms: 8-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-3-methyl-7-(2-phenylethyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(O)nc(=O)n2C

STK581228
Synonyms: 2,2-dimethyl-8-(morpholin-4-yl)-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCOCC1

STK581230
Synonyms: N-[(2E)-3-(3-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: COc1cccc(c1)CN1/C(=N\C(=O)Cc2ccccc2)/SC2C1CS(=O)(=O)C2

STK581231
Synonyms: N-(2-fluorophenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK581232
Synonyms: N-[(3Z)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: CCCCn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1c(c2)cccc1C

STK581233
Synonyms: 8-[(4-ethoxyphenyl)sulfonyl]-7-methyl-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: CCOc1ccc(cc1)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK581235
Synonyms: 5,10-bis(4-chlorophenyl)-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: Clc1ccc(cc1)C1OCCn2c1c1c(c2c2ccc(cc2)Cl)c(=O)n(c(=O)n1C)C

STK581236
Synonyms: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)CN1CCc2c(C1)cc1c(c2)OCCCO1

STK581237
Synonyms: dicyclohexyl[(phenylamino)(pyridin-3-yl)methyl]phosphonate
Smiles: O=P(C(c1cccnc1)Nc1ccccc1)(OC1CCCCC1)OC1CCCCC1

STK581238
Synonyms: (3a'S,6a'R)-5-chloro-3'-(3,4-dihydroxybenzyl)-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(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(Cl)cc2

STK581239
Synonyms: 2-(3-ethoxy-4-methoxyphenyl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: CCOc1cc(ccc1OC)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

STK581242
Synonyms: 2-chloro-N-(6-methyl-5-oxo-2,4-diphenyl-2,5-dihydropyridazin-3-yl)benzamide
Smiles: Clc1ccccc1C(=O)Nc1n(nc(c(=O)c1c1ccccc1)C)c1ccccc1

STK581243
Synonyms: 1-(4-chlorophenyl)-2-hydroxy-6-(3-phenylpropyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)CCCc1ccccc1

STK581244
Synonyms: 5-[3-(propan-2-yloxy)phenyl]-4-{[(E)-thiophen-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccs1)C

STK581246
Synonyms: N-(4-ethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)CC)nnc1COc1ccccc1

STK581248
Synonyms: 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropanenitrile
Smiles: N#CCC(=O)N1CCc2c(C1)cc(c(c2)OC)OC

STK581249
Synonyms: 6-hydroxy-3-methyl-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-7-propyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCn1c(N/N=C/c2ccc(cc2)C)nc2c1c(O)nc(=O)n2C

STK581250
Synonyms: 5-(2-fluorophenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK581252
Synonyms: methylN-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)NCCc1ccccc1F)C

STK581253
Synonyms: 2-[(6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
Smiles: CC(C(=O)NCc1ccncc1)Oc1cc2oc(=O)c(c(c2cc1Cl)C)C