Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK580413
Synonyms: 3- (4- chlorobenzyl)- 1,7- dimethyl- 8- (tetrahydrofuran- 2- ylmethyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)CC1CCCO1)C

STK580414
Synonyms: N'- [(1E)- 1- (1- benzyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]benzohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NNC(=O)c1ccccc1

STK580415
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1cccc(c1)Cl

STK580416
Synonyms: (1'S,3R,3'S,7a'R)- 7''- chloro- 5''- methyl- 1'- [(4- propoxyphenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(C)cc1Cl

STK580417
Synonyms: (1'R,2'R)- 7'- methyl- 2'- phenyl- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Cc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccccc2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1ccccc1

STK580419
Synonyms: 9- (5- methyl- 1,2- oxazol- 3- yl)- 8- (2,3,4- trimethoxyphenyl)- 8,9- dihydrobenzo[7,8]chromeno[2,3- c]pyrrole- 7,10- dione
Smiles: COc1c(ccc(c1OC)OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK580420
Synonyms: 3- (2,4- dichlorobenzyl)- 1- methyl- 8- phenyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Clc1ccc(c(c1)Cl)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1

STK580421
Synonyms: 4- [4- (2- methoxyphenyl)piperazin- 1- yl]- 1- methyl- 3- nitroquinolin- 2(1H)- one
Smiles: COc1ccccc1N1CCN(CC1)c1c2ccccc2n(c(=O)c1[N+](=O)[O-])C

STK580423
Synonyms: (4E)- 5- (2,4- dimethoxyphenyl)- 4- [hydroxy(4- nitrophenyl)methylidene]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK580424
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- sulfamoylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1c1cccc(c1)Cl

STK580426
Synonyms: 2- [2- (4- phenylpiperazin- 1- yl)benzylidene]- 1H- indene- 1,3(2H)- dione
Smiles: O=C1/C(=C/c2ccccc2N2CCN(CC2)c2ccccc2)/C(=O)c2c1cccc2

STK580427
Synonyms: N'- [(E)- 2H- chromen- 3- ylmethylidene]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C/C1=Cc2c(OC1)cccc2

STK580429
Synonyms: (4E)- 4- [hydroxy(thiophen- 2- yl)methylidene]- 5- phenyl- 1- [5- (propylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: CCCSc1nnc(s1)N1C(c2ccccc2)/C(=C(/c2cccs2)\O)/C(=O)C1=O

STK580430
Synonyms: (5E)- 5- [(1- benzyl- 1,2,3,4- tetrahydroquinolin- 6- yl)methylidene]- 3- (4- ethoxyphenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)O

STK580435
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- phenylethanone
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)c1ccccc1

STK580439
Synonyms: 7- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- [4- (propan- 2- yl)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)C)c1noc(c1)C

STK580440
Synonyms: 2- [(3a'S,6a'R)- 5- chloro- 5'- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 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(Cl)cc2

STK580441
Synonyms: N- [3- (4- bromophenyl)- 4- oxo- 4H- chromen- 2- yl]thiophene- 2- carboxamide
Smiles: Brc1ccc(cc1)c1c(NC(=O)c2cccs2)oc2c(c1=O)cccc2

STK580443
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- ethyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,5- dimethoxyphenyl)acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2CC)COc2ccc(cc2)Cl)cc(c1)OC

STK580445
Synonyms: 1- benzyl2- (6- chloro- 4- ethyl- 2- oxo- 2H- chromen- 7- yl)(2S)- pyrrolidine- 1,2- dicarboxylate
Smiles: CCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

STK580446
Synonyms: 3- cyclopentyl- 10- methyl- 2- (2- methylphenyl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: Cc1ccccc1c1nc2n(C)c3ccccc3c(=O)c2c(=O)n1C1CCCC1

STK580448
Synonyms: N- [(2E)- 5- [(4- chlorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (4- chlorophenyl)acetamide
Smiles: Clc1ccc(cc1)CC(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)Cl

STK580449
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (phenylcarbonyl)- 2'- {[4- (prop- 2- en- 1- yloxy)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: C=CCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK580450
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 8- (piperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1)COc1ccc(cc1)C

STK580452
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[methyl(phenyl)amino]methyl}- N'- [(E)- thiophen- 2- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C/c1cccs1

STK580453
Synonyms: 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK580454
Synonyms: ethyl4- phenyl- 2- [(pyrrolidin- 1- ylacetyl)amino]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccccc1)NC(=O)CN1CCCC1

STK580455
Synonyms: 2- [(3a'S,6a'R)- 7- chloro- 5'- (2- chlorobenzyl)- 5- 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(C)cc1Cl

STK580458
Synonyms: methylN- {(1Z)- 1- [4- hydroxy- 1- (4- methoxyphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/C

STK580460
Synonyms: (5Z)- 3- benzyl- 6- hydroxy- 5- (1- {[3- (piperidin- 1- yl)propyl]amino}ethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(/NCCCN2CCCCC2)\C)/C(=O)N1Cc1ccccc1

STK580461
Synonyms: tert- butyl(3S)- 3- {[4- (propan- 2- yl)phenyl]carbamoyl}- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1ccc(cc1)C(C)C

STK580462
Synonyms: 2- {[4- (4- chlorophenyl)- 3- cyano- 5- hydroxy- 7,7- dimethyl- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C2=C(CC(CC2=N1)(C)C)O)c1ccc(cc1)Cl

STK580463
Synonyms: N- (tetrahydrofuran- 2- ylmethyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCCC2)NCC1CCCO1

STK580464
Synonyms: 4- ({(2'S,3S,3'S,10b'R)- 2'- [(4- bromophenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)Br)C(=O)Nc1c2cccc1)cccc3

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

STK581254
Synonyms: (4E)- 1- (3- bromophenyl)- 5- (4- chlorophenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)Br

STK581255
Synonyms: methyl3- (1,6,7- trimethyl- 2,4- dioxo- 8- phenyl- 1,2,4,8- tetrahydro- 3H- imidazo[2,1- f]purin- 3- yl)propanoate
Smiles: COC(=O)CCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccccc1

STK581257
Synonyms: 2- ({3- [(E)- 2- (3,4- dimethoxyphenyl)ethenyl]- 1H- 1,2,4- triazol- 5- yl}sulfanyl)- N- phenylacetamide
Smiles: COc1cc(/C=C/c2n[nH]c(n2)SCC(=O)Nc2ccccc2)ccc1OC

STK581258
Synonyms: (2Z)- 7- {[benzyl(methyl)ammonio]methyl}- 2- (2- methoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: COc1ccccc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](Cc1ccccc1)C)[O-]

STK581260
Synonyms: 8- [(4- chlorophenyl)sulfonyl]- 7- methyl- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: Clc1ccc(cc1)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK581261
Synonyms: N- [(2Z)- 3- (5- chloro- 2- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: COc1ccc(cc1N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2)Cl

STK581263
Synonyms: 2- (3,4- dichlorophenyl)- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: COc1cc2CCn3c(c2cc1OC)cc(c(c3=N)C#N)c1ccc(c(c1)Cl)Cl

STK581264
Synonyms: (5E)- 5- {1- [(3,3- diphenylpropyl)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)/NCCC(c1ccccc1)c1ccccc1

STK581265
Synonyms: 9- (3- methoxyphenyl)- 1,7- dimethyl- 3- [2- (morpholin- 4- yl)ethyl]- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: COc1cccc(c1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCOCC1

STK581266
Synonyms: N- (2- hydroxyethyl)- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: OCCNC(=O)c1nc2n(n1)c(C)nc1c2c2CC(C)(C)OCc2s1

STK581267
Synonyms: 8- [benzyl(methyl)amino]- 6- hydroxy- 3- methyl- 7- [3- (pyrimidin- 2- ylsulfanyl)propyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: O=c1nc(O)c2c(n1C)nc(n2CCCSc1ncccn1)N(Cc1ccccc1)C

STK581268
Synonyms: 6,7,10- trimethyl- 3- (pyridin- 4- ylmethyl)- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: O=c1oc2c(C)c3OCN(Cc3cc2c(c1C)C)Cc1ccncc1

STK581270
Synonyms: 6- decyl- 9- methoxy- 6H- indolo[2,3- b]quinoxaline
Smiles: CCCCCCCCCCn1c2ccc(cc2c2c1nc1ccccc1n2)OC

STK581271
Synonyms: 3- (3,5- dichloro- 2- hydroxyphenyl)- 5- (2,4- dimethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(Cl)cc(c1O)Cl

STK581272
Synonyms: 8- amino- N- (2- ethoxyphenyl)- 3,4- dihydro- 2H- 1,4- ethanothieno[2,3- b][1,5]naphthyridine- 7- carboxamide
Smiles: CCOc1ccccc1NC(=O)c1sc2c(c1N)cc1c(n2)C2CCN1CC2

STK581273
Synonyms: 4- {[(E)- (2,4- dichlorophenyl)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(cc1Cl)Cl

STK581275
Synonyms: 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1- (pyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccn1)c(=O)c1c(o2)cccc1

STK581276
Synonyms: (4E)- 4- ({[(1- ethylpyrrolidin- 2- yl)methyl]amino}methylidene)- 2- (2- methylphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1C

STK581277
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1)C

STK581278
Synonyms: 2- [(6- chloro- 2- oxo- 4- propyl- 2H- chromen- 7- yl)oxy]- N- (pyridin- 2- ylmethyl)acetamide
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCc1ccccn1

STK581280
Synonyms: (5s,7s)- 2- (5- bromo- 2- ethoxyphenyl)- 5- ethyl- 7- methyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CCOc1ccc(cc1C1N2C[C@@]3(CN1C[C@](C2)(C3=O)CC)C)Br

STK581281
Synonyms: 3- [(3R,3'S,3a'S,6a'R)- 5'- (3- chlorophenyl)- 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]propanoicacid
Smiles: OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)Cl)C(=O)Nc1c2cccc1

STK581284
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(2,4- dichlorophenyl)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)c1ccc(cc1Cl)Cl

STK581285
Synonyms: 3- (3,5- dichloro- 2- hydroxyphenyl)- 5- (2- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(Cl)cc(c1O)Cl

STK581286
Synonyms: 2- fluoro- N- [1- methyl- 4- oxo- 3- (3,4,5- trimethoxyphenyl)- 1,4- dihydroquinolin- 2- yl]benzamide
Smiles: COc1cc(cc(c1OC)OC)c1c(NC(=O)c2ccccc2F)n(C)c2c(c1=O)cccc2

STK581287
Synonyms: (5E)- 5- (3,4- dimethoxybenzylidene)- 3- (4- methoxyphenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1ccc(cc1)N1C(=O)/C(=C\c2ccc(c(c2)OC)OC)/N=C1c1ccccc1

STK581289
Synonyms: N- (2- ethyl- 6- methylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2CC)nnc1c1ccccn1

STK581290
Synonyms: N- (2- ethylphenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2CC)nnc1c1ccccc1F

STK581291
Synonyms: (4E)- 4- [(benzylamino)methylidene]- 2- (2,5- dimethoxyphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(c(c1)N1C(=O)/C(=C/NCc2ccccc2)/c2c(C1=O)cccc2)OC

STK581292
Synonyms: 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 1- (2,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(OC)c(cc1C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1)OC

STK581295
Synonyms: N- (biphenyl- 2- yl)- 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1c1cccc(c1)Cl

STK581296
Synonyms: 3- [(3- chlorobenzyl)oxy]- 1- hydroxy- 5- methyl- 9H- xanthen- 9- one
Smiles: Clc1cccc(c1)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK581297
Synonyms: N- (2- ethyl- 6- 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)Nc1c(C)cccc1CC

STK581298
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK581299
Synonyms: 4- (3- chloro- 4- fluorophenyl)- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1Cl)n1c(=S)[nH]nc1c1ccncc1

STK581302
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- sulfamoylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)S(=O)(=O)N

STK581303
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(2- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- [4- (propan- 2- yl)phenyl]pyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1ccccc1F)c1ccc(cc1)C(C)C

STK581305
Synonyms: methyl2- (3- {(E)- [1- (4- methoxyphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 2,5- dimethyl- 1H- pyrrol- 1- yl)benzoate
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2ccccc2C(=O)OC)C)/C1=O)S

STK581306
Synonyms: (3a'S,6a'R)- 5- fluoro- 3'- (4- hydroxybenzyl)- 5'- (3- nitrophenyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])Cc1ccc(cc1)O)C(=O)N2

STK581309
Synonyms: 2- {[3- cyano- 4- (furan- 2- yl)- 5- hydroxy- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)N=C2C(=C(O)CCC2)C1c1ccco1

STK581311
Synonyms: N- [4- chloro- 3- (trifluoromethyl)phenyl]- 2- [(2- oxo- 2H- chromen- 7- yl)oxy]acetamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)COc1ccc2c(c1)oc(=O)cc2

STK581312
Synonyms: 4,5,6- trimethoxy- N- (3- methoxypropyl)- 1H- indole- 2- carboxamide
Smiles: COCCCNC(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC

STK581313
Synonyms: 8- hydroxy- 9- [4- (methylsulfanyl)phenyl]- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazoline- 2- carboxylicacid
Smiles: CSc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1nc(n2)C(=O)O

STK581314
Synonyms: (5E)- 5- {[2,5- dimethyl- 1- (4- methylpyridin- 2- yl)- 1H- pyrrol- 3- yl]methylidene}- 1- methyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1ccnc(c1)n1c(C)cc(c1C)/C=C/1\C(=O)N=C(N(C1=O)C)S

STK581315
Synonyms: ethyl4- (3- benzyl- 1- methyl- 2,4- dioxo- 1,2,3,4,6,7- hexahydro- 8H- imidazo[2,1- f]purin- 8- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1

STK581316
Synonyms: N- carbamimidoyl- 4- [(4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]benzenesulfonamide
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc(cc1)S(=O)(=O)NC(=N)N

STK581318
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C)NCCc1ccccc1

STK581319
Synonyms: 2- (ethylsulfanyl)- 9- (4- methoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nc2n(n1)C(c1ccc(cc1)OC)C1=C(O)CCCC1=N2

STK581320
Synonyms: 3- methyl- 11- phenyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: CC1CC(=C2C(=Nc3ccccc3NC2c2ccccc2)C1)O

STK581324
Synonyms: N- (4- bromo- 2- methylphenyl)- 2- {[5- (2- fluorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK581327
Synonyms: 1- tert- butyl4- (4- butyl- 2- oxo- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: CCCCc1cc(=O)oc2c1ccc(c2)OC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

STK581328
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc(n1N)c1n[nH]c(c1)C

STK581329
Synonyms: N,N- diethyl- N'- (8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)ethane- 1,2- diamine
Smiles: CCN(CCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C)CC

STK581330
Synonyms: (1'R,2'R)- 2'- (4- chlorophenyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Clc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK581335
Synonyms: N- [(2Z)- 3- (2- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccccc1F)CS(=O)(=O)C2)COc1ccccc1

STK581336
Synonyms: 9- (4- hydroxyphenyl)- 6- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Oc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK581337
Synonyms: 4- (2- methylpropyl)- 9- (methylsulfanyl)- N- (pyridin- 4- ylmethyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CSc1nc(NCc2ccncc2)c2c(n1)c1c(s2)nc(c2c1CCC2)CC(C)C

STK581338
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK581339
Synonyms: N- (3- fluoro- 4- methylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1COc1ccccc1

STK581340
Synonyms: (2S)- N- (2- fluorophenyl)- 3- methyl- 2- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: Fc1ccccc1NC(=O)[C@@H](n1cnc2c(c1=O)cccc2)C(C)C

STK581341
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2,4- dimethoxyphenyl)carbonyl]- 2'- [(2- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1OC)C(=O)Nc1c2cccc1)cccc3

STK581342
Synonyms: 9- (4- fluorophenyl)- 3- (2- methoxyethyl)- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F

STK581343
Synonyms: 2- (benzylsulfanyl)- 6- (2- chlorobenzyl)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1ccccc1Cc1c(C)nc2n(c1O)nc(n2)SCc1ccccc1

STK581344
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (naphthalen- 1- yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc3c2cccc3)nnc1COc1ccc(cc1)Cl

STK581345
Synonyms: methylN- (1,3- benzodioxol- 5- ylcarbamoyl)- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1ccc2c(c1)OCO2

STK581346
Synonyms: N- (3,4- difluorophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1Cc1cccs1

STK581347
Synonyms: (2Z)- 1- (3,4- diethoxyphenyl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)ethanone
Smiles: CCOc1cc(ccc1OCC)C(=O)/C=C/1\NCCc2c1cc(OC)c(c2)OC

STK581351
Synonyms: 2- [7- (4- fluorophenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nn2c(n1)c1cnn(c1nc2)c1ccc(cc1)F

STK581352
Synonyms: 2,2- dimethyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)propanamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C(C)(C)C)Cc1cccnc1

STK581353
Synonyms: 2- {4- [7- (4- chlorobenzyl)- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl]piperazin- 1- yl}acetamide
Smiles: NC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)Cl)c(O)nc(=O)n2C

STK581354
Synonyms: 4- methoxy- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)benzamide
Smiles: COc1ccc(cc1)C(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)Cc1cccnc1

STK581355
Synonyms: [(2,6- dichlorophenyl)(5- hydroxy- 3- methyl- 1H- pyrazol- 4- yl)methyl]propanedinitrile
Smiles: N#CC(C(c1c(O)[nH]nc1C)c1c(Cl)cccc1Cl)C#N

STK581356
Synonyms: 2- {[2,2- dimethyl- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl]amino}butan- 1- ol
Smiles: CCC(Nc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)CO

STK581360
Synonyms: N- [2- (2- hydroxyethoxy)ethyl]- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: OCCOCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2

STK581361
Synonyms: 3- (1,3- benzodioxol- 5- ylmethyl)- 6'- hydroxy- 3'- (2- methoxyethyl)- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: COCCN1C(=O)N=C(C2(C1=O)Cc1ccccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)O

STK581362
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1c1ccccn1

STK581363
Synonyms: 6- amino- 3- (4- fluorophenyl)- 4- (3- hydroxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)O)c([nH]n2)c1ccc(cc1)F

STK581365
Synonyms: 3- [(3R,3'S,3a'S,6a'R)- 5'- (3,4- dichlorophenyl)- 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]propanoicacid
Smiles: OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)Cl)C(=O)Nc1c2cccc1

STK581366
Synonyms: N- [3- (2,3,5,9- tetramethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]glycyl- S- benzyl- L- cysteine
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)NCC(=O)N[C@H](C(=O)O)CSCc1ccccc1

STK581367
Synonyms: N- [(2E)- 4,7- dimethylquinazolin- 2(1H)- ylidene]- 5- (propan- 2- yl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc2c(c1)[nH]/c(=N\C1=NCN(CN1)C(C)C)/nc2C

STK581368
Synonyms: N- (4- {[(3Z)- 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)/c2c1nc1ccccc1c2

STK581369
Synonyms: N- (furan- 2- ylmethyl)- N~2~- {[1- (4- methoxyphenyl)- 5- oxopyrrolidin- 3- yl]carbonyl}- L- valinamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NCc1ccco1)C(C)C

STK581372
Synonyms: N- (biphenyl- 2- yl)- 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1c1ccccn1

STK581373
Synonyms: 2- [(2,3- dimethylphenyl)amino]- 4- (4- ethylphenyl)- 8- methyl- 4,9- dihydro- 6H- pyrimido[1,2- a][1,3,5]triazin- 6- one
Smiles: CCc1ccc(cc1)C1N=C(Nc2cccc(c2C)C)N=c2n1c(=O)cc([nH]2)C

STK581375
Synonyms: 2- methoxy- 6- {4- [(4- methylphenyl)sulfanyl]quinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc(Sc2ccc(cc2)C)c2c(n1)cccc2

STK581376
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- (4- fluorophenyl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(cc1)F

STK581378
Synonyms: 1- {4- [(5- carboxy- 2- methoxyphenyl)amino]- 5- chloro- 6- oxopyridazin- 1(6H)- yl}tricyclo[3.3.1.1~3,7~]decane- 2- carboxylicacid
Smiles: COc1ccc(cc1Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3)C(=O)O

STK581379
Synonyms: N- (3- chlorophenyl)- 2- {[5- (4- methoxyphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)Nc1cccc(c1)Cl

STK581380
Synonyms: 2- {[2- (2- hydroxyethoxy)ethyl]amino}- 7- methyl- 3- {(Z)- [3- (4- methylbenzyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: OCCOCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)C)C

STK581381
Synonyms: N- (biphenyl- 2- yl)- 2- {[5- (3- chlorophenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1c1cccc(c1)Cl

STK581382
Synonyms: 1- [10- (3,4- dimethoxyphenyl)- 2- (4- methoxybenzyl)- 8- methyl- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccc(c(c1)OC)OC)C(=O)C)C

STK581383
Synonyms: 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1- (thiophen- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccs1)c(=O)c1c(o2)cccc1

STK581385
Synonyms: N- (4- bromo- 3- methylphenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK581386
Synonyms: (4- ethoxyphenyl)(3,5,6,7- tetrahydro- 1'H- spiro[imidazo[4,5- c]pyridine- 4,4'- piperidin]- 1'- yl)methanone
Smiles: CCOc1ccc(cc1)C(=O)N1CCC2(CC1)NCCc1c2[nH]cn1

STK581387
Synonyms: (3S,3a'R,8a'S,8b'S)- 7- chloro- 2'- (3,4- dimethylphenyl)- 5- methyl- 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: Cc1cc(Cl)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)C)C

STK581389
Synonyms: 6- chloro- 3,4- dimethyl- 2- oxo- 2H- chromen- 7- ylN- [(benzyloxy)carbonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)C)NC(=O)OCc1ccccc1

STK581390
Synonyms: 9- (3,4- dichlorobenzyl)- 6- methyl- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: Clc1ccc(cc1Cl)CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK581391
Synonyms: N- [(3Z)- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- nitrobenzenesulfonamide
Smiles: CC(Cn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/c2c1nc1ccccc1c2)C

STK581392
Synonyms: 9a- [(E)- 2- {4- [(3- chlorobenzyl)oxy]- 3- ethoxyphenyl}ethenyl]- 7,9,9- trimethyl- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: CCOc1cc(ccc1OCc1cccc(c1)Cl)/C=C/C12NC(=O)CN1c1c(C2(C)C)cc(cc1)C

STK581393
Synonyms: (5Z)- 5- [1- acetyl- 5- (4- ethoxyphenyl)pyrazolidin- 3- ylidene]- 1- benzylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)C1C/C(=C/2\C(=O)NC(=O)N(C2=O)Cc2ccccc2)/NN1C(=O)C

STK581394
Synonyms: 9- (2- fluorophenyl)- 6- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2F)ncn3)CC(C1)c1ccccc1

STK581395
Synonyms: N- (3- fluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK581396
Synonyms: (3S,3'S,3a'R,6a'S)- 3'- (2- methylpropyl)- 5'- (prop- 2- en- 1- 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: C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2CC(C)C)C(=O)Nc2c1cccc2

STK581397
Synonyms: 4- ethyl- 3- [(2- fluorobenzyl)sulfanyl]- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazole
Smiles: CCn1c(nnc1SCc1ccccc1F)COc1ccc(cc1)C

STK581398
Synonyms: 1- (4- chlorophenyl)- N- (4- methylphenyl)- 4- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Clc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccccc1

STK581399
Synonyms: 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK581401
Synonyms: 6,8- dibromo- 2,4- dihydroxy- N- (2- phenylethyl)quinoline- 3- carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCCc1ccccc1

STK581402
Synonyms: N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- propylmethanesulfonamide
Smiles: CCCN(S(=O)(=O)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK581403
Synonyms: (3Z)- 3- (4- oxo- 3- {[(3Z)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]amino}- 2- thioxo- 1,3- thiazolidin- 5- ylidene)- 1,3- dihydro- 2H- indol- 2- one
Smiles: S=C1S/C(=C/2\C(=O)Nc3c2cccc3)/C(=O)N1/N=C/1\C(=O)Nc2c1cccc2

STK581404
Synonyms: 4- ({(E)- [4- (diethylamino)phenyl]methylidene}amino)- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCN(c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C)CC

STK581408
Synonyms: 4- ({(E)- [4- (diethylamino)phenyl]methylidene}amino)- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCN(c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC)CC

STK581409
Synonyms: 1- (2- fluorophenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)ccc(c1)C

STK581410
Synonyms: 5- [2- (benzyloxy)phenyl]- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1OCc1ccccc1)N/N=C/c1ccc(cc1)N(C)C

STK581411
Synonyms: 10- (4- fluorophenyl)- 1,3- dimethyl- 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: Fc1ccc(cc1)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK581412
Synonyms: 3- (4- methoxyphenyl)- 5- propyl- 3H- pyrrolo[2',3':4,5]pyrimido[1,6- a]benzimidazol- 1- ylbutanoate
Smiles: CCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCC)cccc3)c1ccc(cc1)OC

STK581413
Synonyms: 2- benzyl- 1- (pyridin- 4- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(Cc2ccccc2)C(c2c1oc1ccccc1c2=O)c1ccncc1

STK581414
Synonyms: 4- ({(2'S,3S,3'S,10b'R)- 2'- [(4- methoxyphenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl}carbonyl)phenylacetate
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK581415
Synonyms: 4- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (furan- 2- ylmethyl)benzamide
Smiles: O=C(c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)NCc1ccco1

STK581416
Synonyms: (5E)- 6- hydroxy- 3- phenyl- 5- [1- (2- phenylhydrazinyl)propylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O)/NNc1ccccc1

STK581417
Synonyms: 3- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]propane- 1,2- diol
Smiles: OCC(CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C)O

STK581420
Synonyms: 2- {[5- (2- chlorophenyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1ccccc1Cl

STK581421
Synonyms: 5- (2,5- dimethoxyphenyl)- 4- hydroxy- 2- (methylsulfanyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: COc1ccc(c(c1)C1CC(=O)Nc2c1c(O)nc(n2)SC)OC

STK581422
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- 1- (naphthalen- 2- yl)ethanone
Smiles: Clc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCC(=O)c1ccc2c(c1)cccc2

STK581423
Synonyms: (5Z)- 5- {1- [(2,4- dimethoxyphenyl)amino]ethylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cc(OC)ccc1N/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/C

STK581424
Synonyms: N- (4- fluorophenyl)- 3- (2- methyl- 1H- benzimidazol- 1- yl)propanamide
Smiles: O=C(Nc1ccc(cc1)F)CCn1c(C)nc2c1cccc2

STK581426
Synonyms: N- [(Z)- (3- oxo- 1- benzothiophen- 2(3H)- ylidene)methyl]- N- [2- (4- oxo- 4H- 3,1- benzoxazin- 2- yl)phenyl]acetamide
Smiles: CC(=O)N(c1ccccc1c1nc2ccccc2c(=O)o1)/C=C/1\Sc2c(C1=O)cccc2

STK581428
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK581429
Synonyms: 11- (2- methoxyphenyl)- 10- methyl- 2- (phenoxymethyl)- 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)COc1ccccc1)c1ccccc1

STK581430
Synonyms: 4- (2- amino- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 4- yl)- 2,6- dimethoxyphenol
Smiles: COc1cc(cc(c1O)OC)C1N=C(N)N=c2n1c1ccccc1[nH]2

STK581431
Synonyms: 7- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (3- propoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK581432
Synonyms: 2- {[6- cyano- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCC(=O)Nc3ccc(cc3)C)nnc2c2c1CC(C)(C)OC2

STK581435
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (2,4- dimethoxyphenyl)- 4,5- dihydro- 1,2- oxazole- 5- carboxamide
Smiles: COc1ccc(c(c1)OC)C1=NOC(C1)C(=O)Nc1ccc2c(c1)OCCO2

STK581436
Synonyms: N- (2- chlorophenyl)- 4- (3,4- dichlorophenyl)- 1- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Clc1cc(ccc1Cl)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1Cl)c1ccccc1

STK581439
Synonyms: 8- (3- chlorophenyl)- 4- hydroxy- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: Clc1cccc(c1)N1CCn2c1nc1c2c(O)nc(=O)n1C

STK581440
Synonyms: (1S)- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 3- (methylsulfanyl)propan- 1- amine
Smiles: CSCC[C@@H](c1nnc(o1)SCc1ccc(cc1)F)N

STK581441
Synonyms: 5- (2- phenylethyl)- N- [(2E)- 4,6,8- trimethylquinazolin- 2(1H)- ylidene]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1cc(C)c2c(c1)c(C)n/c(=N/C1=NCN(CN1)CCc1ccccc1)/[nH]2

STK581442
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(3- methylbutyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]- 4- fluorobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)F)/C(=O)NCCC(C)C

STK581443
Synonyms: (3a'S,6a'R)- 7- chloro- 5'- (3- methoxypropyl)- 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: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cccc2Cl

STK581444
Synonyms: 7- [3- (1,3- benzothiazol- 2- ylsulfanyl)propyl]- 8- (3,5- dimethylpiperidin- 1- yl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CC(C)CN(C1)c1nc2c(n1CCCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

STK581445
Synonyms: 4- [(2E)- 2- (3- ethoxy- 4- hydroxybenzylidene)hydrazinyl]benzoicacid
Smiles: CCOc1cc(/C=N/Nc2ccc(cc2)C(=O)O)ccc1O

STK581446
Synonyms: (1Z)- 3- (4- chlorophenoxy)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)butan- 2- one
Smiles: COc1cc2/C(=C/C(=O)C(Oc3ccc(cc3)Cl)C)/NCCc2cc1OC

STK581447
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluoro- 4- methylphenyl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(c(c1)F)C

STK581448
Synonyms: 2- [(2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)COc1ccc2c(c1)oc(=O)cc2

STK581449
Synonyms: (2E,5E)- 5- (4- hydroxy- 3- methoxybenzylidene)- 2- [(4- methoxyphenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: COc1ccc(cc1)/N=C\1/S/C(=C/c2ccc(c(c2)OC)O)/C(=N1)O

STK581450
Synonyms: methylN- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)- L- alaninate
Smiles: COC(=O)[C@@H](NC(=O)NC1CCCc2c1cccc2)C

STK581451
Synonyms: N- (2,2- diphenylethyl)- 3- (7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)propanamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)ccc(c2)O)NCC(c1ccccc1)c1ccccc1

STK581453
Synonyms: 4- tert- butyl- N- [(2Z)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N/C(=O)c2ccc(cc2)C(C)(C)C)/s1

STK581455
Synonyms: ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)aceticacid
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)O

STK581457
Synonyms: 4- {(6E)- 6- [4- (dimethylamino)benzylidene]- 5- iminio- 7- oxo- 6,7- dihydro- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl}phenolate
Smiles: [O-]c1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3ccc(cc3)N(C)C)/C2=[NH2+])s1

STK581458
Synonyms: 4- fluoro- N- [(2Z)- 3- [(2- methyl- 1,3- benzothiazol- 6- yl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc2c(c1)sc(n2)C

STK581459
Synonyms: 5- (3- chlorophenyl)- 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]nc1c1cccc(c1)Cl

STK581461
Synonyms: N- (2- chloro- 6- fluorobenzyl)- 2- (3,5- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NCc1c(F)cccc1Cl

STK581462
Synonyms: 6- (4- methoxyphenyl)- 9- (2- methylphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccccc2C)ncn3)C1)O

STK581463
Synonyms: (2'S,3S,3'S,10b'R)- 2',3'- bis[(2- chlorophenyl)carbonyl]- 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)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3

STK581465
Synonyms: 7- (3,5- dimethylphenyl)- 3- (pyridin- 3- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nnc1c1cccnc1

STK581469
Synonyms: (8- chloro- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)(4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)N1CCc2c(C1)c1cc(Cl)ccc1[nH]2

STK581471
Synonyms: 3- [2- (1H- imidazol- 4- yl)ethyl]- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Cc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)CCc1c[nH]cn1

STK581474
Synonyms: N- (3,4- dimethoxyphenyl)- 2- fluoro- N- (furan- 2- ylmethyl)benzamide
Smiles: COc1ccc(cc1OC)N(C(=O)c1ccccc1F)Cc1ccco1

STK581475
Synonyms: (4E)- 4- [(methylamino)methylidene]- 2- phenylisoquinoline- 1,3(2H,4H)- dione
Smiles: CN/C=C\1/C(=O)N(c2ccccc2)C(=O)c2c1cccc2

STK581476
Synonyms: 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- oxo- 2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C(c1ccccc1)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK581477
Synonyms: N- [(2Z)- 3- (3,5- dichlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: Clc1cc(Cl)cc(c1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK581478
Synonyms: (E)- {2- (4- tert- butylphenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(4- fluorophenyl)methanolate
Smiles: Fc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-]

STK581479
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK581480
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 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)c1ccc(cc1)Cl

STK581481
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 8- {[3- (morpholin- 4- yl)propyl]amino}- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(NCCCN2CCOCC2)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK581484
Synonyms: 5- (biphenyl- 4- yl)- 7- (2- chlorophenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Clc1ccccc1C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)c1ccccc1

STK581485
Synonyms: 2- {1,3- dimethyl- 8- [(2- methylpiperidin- 1- yl)methyl]- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl}acetamide
Smiles: NC(=O)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(c(=O)n2C)C

STK581486
Synonyms: 5- (2- chlorophenyl)- 4- {[(E)- (2,3- dichlorophenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1c(cccc1Cl)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK581488
Synonyms: 2- [(4Z)- 4- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 3- oxobutan- 2- yl]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1cc2/C(=C/C(=O)C(N3C(=O)c4c(C3=O)cccc4)C)/NCCc2cc1OC

STK581489
Synonyms: (4E)- 5- (3- butoxyphenyl)- 1- {5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK581490
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 7- fluoro- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3C)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK581491
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [4- (prop- 2- en- 1- yloxy)phenyl]- 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: C=CCOc1ccc(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)c1cccc(c1)C(F)(F)F

STK581494
Synonyms: 4- {[(1E,2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1

STK581495
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2C)nnc1COc1ccccc1

STK581496
Synonyms: N- [(2E)- 3- (4- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/SC2C(N1c1ccc(cc1)F)CS(=O)(=O)C2

STK581497
Synonyms: ethyl4- [(8- bromo[1]benzofuro[3,2- d]pyrimidin- 4- yl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1ncnc2c1oc1c2cc(cc1)Br

STK581498
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- ylN- (tert- butoxycarbonyl)- D- valinate
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)C(C)C

STK581499
Synonyms: 3- (5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)propanoicacid
Smiles: OC(=O)CCc1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2

STK581501
Synonyms: (5Z)- 4- hydroxy- 5- {[2- (2- methylpropyl)- 6- phenylimidazo[2,1- b][1,3,4]thiadiazol- 5- yl]methylidene}- 1,3- thiazole- 2(5H)- thione
Smiles: CC(Cc1nn2c(s1)nc(c2/C=C/1\SC(=S)N=C1O)c1ccccc1)C

STK581502
Synonyms: 2- [(4- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)COc1ccc2c(c1C)oc(=O)c1c2CCCC1

STK581503
Synonyms: 5- {[(2Z)- 3- (3- acetylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1)C(=O)C)CS(=O)(=O)C2

STK581504
Synonyms: N- [(2Z)- 3- [4- (dimethylamino)phenyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3,3- dimethylbutanamide
Smiles: O=C(CC(C)(C)C)/N=C/1\SC2C(N1c1ccc(cc1)N(C)C)CS(=O)(=O)C2

STK581505
Synonyms: N- (4- butoxyphenyl)- 2- [(7- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 9- yl)oxy]acetamide
Smiles: CCCCOc1ccc(cc1)NC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK581506
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (1,3- benzodioxol- 5- ylcarbonyl)- 2'- [(3- propoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK581508
Synonyms: N- (2- fluorophenyl)- 4- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: O=C(Nc1ccccc1F)CCCn1cnc2c(c1=O)cccc2

STK581511
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 4- (2- chlorophenyl)- 7,7- dimethyl- 4,6,7,8- tetrahydroquinazolin- 5- ol
Smiles: OC1=C2C(=NC(=NC2c2ccccc2Cl)Nc2nc3c(o2)cccc3)CC(C1)(C)C

STK581512
Synonyms: 8- (3,5- dimethylphenyl)- 1,7- dimethyl- 3- [2- (piperidin- 1- yl)ethyl]- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cc1cc(C)cc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK581514
Synonyms: 1,3- dimethyl- 8- {[(1- phenylethyl)amino]methyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(c1ccccc1)NCc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STK581515
Synonyms: 6- chloro- 7- methyl- N- [(2Z)- 5- [(3- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1cccc(c1)CSc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)/s1

STK581516
Synonyms: N- {4- [(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)sulfonyl]phenyl}acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1ccc(cc1)NC(=O)C

STK581517
Synonyms: ethyl2- [(2Z)- 1,3- benzoxazol- 2(3H)- ylideneamino]- 4- {[(diethylcarbamothioyl)sulfanyl]methyl}pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1CSC(=S)N(CC)CC)/N=c/1\oc2c([nH]1)cccc2

STK581519
Synonyms: 6- hydroxy- 3- methyl- 7- (3- methylbenzyl)- 8- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(=C)CSc1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C

STK581521
Synonyms: N'- [(E)- (2,3- dimethoxyphenyl)methylidene]- 5- methoxy- 1H- indole- 2- carbohydrazide
Smiles: COc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1cccc(c1OC)OC

STK581523
Synonyms: methylN- [(3- chloro- 4- methoxyphenyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccc(c(c1)Cl)OC)C

STK581524
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- [5- (2- methylpropyl)- 1,3,4- thiadiazol- 2- yl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1OC)C1N(c2nnc(s2)CC(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581525
Synonyms: 2,3- dihydro- 1H- cyclopenta[b]quinolin- 9- yl[4- (2- methoxyphenyl)piperazin- 1- yl]methanone
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1c2CCCc2nc2c1cccc2

STK581527
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK581528
Synonyms: (3a'S,6a'R)- 5- chloro- 3'- methyl- 5'- (2- phenylethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)C)C(=O)N2

STK581529
Synonyms: 1- (4- ethylphenyl)- N- (4- methylphenyl)- 4- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccccc1

STK581530
Synonyms: 1- amino- 2- (dimethylamino)- 4- (propan- 2- ylamino)anthracene- 9,10- dione
Smiles: CC(Nc1cc(N(C)C)c(c2c1C(=O)c1c(C2=O)cccc1)N)C

STK581533
Synonyms: 2- methyl- 2- [4- (propan- 2- yl)phenyl]propan- 1- ol
Smiles: OCC(c1ccc(cc1)C(C)C)(C)C

STK581535
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)furan- 2- carboxamide
Smiles: CC(CN(C(=O)c1ccco1)Cc1cc2cccc(c2[nH]c1=O)C)C

STK581536
Synonyms: 7- (2,4- dichlorophenyl)- 8- (2,4- dimethylphenyl)- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cc1ccc(c(c1)C)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1Cl)Cl

STK581537
Synonyms: 7- butyl- 8- {[4- (diphenylmethyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCn1c(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK581540
Synonyms: 2- {[5- (3- methylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1c1cccc(c1)C

STK581542
Synonyms: 6,7- dimethyl- 4- [(2- methylpiperidin- 1- yl)methyl]- 2H- chromen- 2- one
Smiles: CC1CCCCN1Cc1cc(=O)oc2c1cc(C)c(c2)C

STK581544
Synonyms: 4- {[(E)- (4- tert- butylphenyl)methylidene]amino}- 5- (2- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)(C)C

STK581545
Synonyms: 3- [(4- bromo- 2- fluorophenyl)amino]- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc(cc1F)Br

STK581546
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(3- methylbutyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]- 4- nitrobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)NCCC(C)C

STK581548
Synonyms: 6- {[(4- chlorophenyl)sulfanyl]methyl}- 2- (4- phenylpiperazin- 1- yl)pyrimidin- 4- ol
Smiles: Clc1ccc(cc1)SCc1cc(O)nc(n1)N1CCN(CC1)c1ccccc1

STK581549
Synonyms: (6E)- 7- imino- 2- methyl- 6- [(2E)- 2- (1,3,3- trimethyl- 1,3- dihydro- 2H- indol- 2- ylidene)ethylidene]- 6,7- dihydro- 5H- [1,2]oxazolo[2,3- a]pyrimidin- 5- one
Smiles: Cc1on2c(=NC(=O)/C(=C/C=C\3/N(C)c4c(C3(C)C)cccc4)/C2=N)c1

STK581550
Synonyms: 2- (6- chloro- 1,3- benzothiazol- 2- yl)- 1- (5- methylfuran- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc(o1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581552
Synonyms: 4- [(4- fluorophenyl)carbonyl]- 2- (2- methoxy- 4- nitrophenyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: COc1cc(ccc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(cc2)F)CCC1)[N+](=O)[O-]

STK581553
Synonyms: 1- (3- ethoxyphenyl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581554
Synonyms: 3- (ethoxycarbonyl)- 5- (methylcarbamoyl)- 8- nitro- 2,3,4,4a,5,6- hexahydro- 1H- pyrazino[1,2- a]quinoline- 5- carboxylicacid
Smiles: CCOC(=O)N1CCN2C(C1)C(Cc1c2ccc(c1)[N+](=O)[O-])(C(=O)O)C(=O)NC

STK581555
Synonyms: 2- [(3- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 1- yl)oxy]- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1cc(C)cc2c1c1CCCCc1c(=O)o2

STK581556
Synonyms: 1- (2- methoxyphenyl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccccc1C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581557
Synonyms: (2Z)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 1- [3- (trifluoromethyl)phenyl]ethanone
Smiles: COc1cc2CCN/C(=C\C(=O)c3cccc(c3)C(F)(F)F)/c2cc1OC

STK581558
Synonyms: 7- chloro- 1- (4- chlorophenyl)- 6- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK581559
Synonyms: N- (4- butylphenyl)- 2- {[4- (4- chlorophenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK581561
Synonyms: N- [(4E)- 2- (1,3- benzodioxol- 5- yl)- 4H- chromen- 4- ylidene]- 4- (3,4- dimethoxyphenyl)- 5- methyl- 1,3- thiazol- 2- amine
Smiles: COc1cc(ccc1OC)c1nc(sc1C)/N=c/1\cc(oc2c1cccc2)c1ccc2c(c1)OCO2

STK581562
Synonyms: 1- [3- (3,4- dimethoxyphenyl)- 11- (4- fluorophenyl)- 1- hydroxy- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 2- methylpropan- 1- one
Smiles: COc1ccc(cc1OC)C1CC(=C2C(=Nc3ccccc3N(C2c2ccc(cc2)F)C(=O)C(C)C)C1)O

STK581563
Synonyms: 2- ({4- [4- (benzyloxy)phenyl]- 3- cyano- 6- hydroxy- 4,5- dihydropyridin- 2- yl}sulfanyl)- N- (2- ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)N=C(CC1c1ccc(cc1)OCc1ccccc1)O

STK581565
Synonyms: 1- [4- {[4- (acetylamino)phenyl]amino}- 5- chloro- 6- oxopyridazin- 1(6H)- yl]tricyclo[3.3.1.1~3,7~]decane- 2- carboxylicacid
Smiles: CC(=O)Nc1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3

STK581566
Synonyms: (8S,8aR,11aS)- 10- (3,4- dimethylphenyl)- 9,11- dioxo- N- [3- (trifluoromethyl)phenyl]- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)C)C)cccc3)Nc1cccc(c1)C(F)(F)F

STK581568
Synonyms: ethyl4- [(3a'S,6a'R)- 3'- (1H- indol- 3- ylmethyl)- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2

STK581569
Synonyms: N- (4- butylphenyl)- 2- {[5- (4- methylphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)CCCC)nnc1c1ccc(cc1)C

STK581570
Synonyms: (4R,4aS)- 2- amino- 4,6- diphenyl- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCC(C2)c1ccccc1)c1ccccc1)(C#N)C#N

STK581571
Synonyms: 6- [(dibutylammonio)methyl]- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1oc(=O)c1c2CCC1)CCCC

STK581577
Synonyms: ethyl4- {[({4- amino- 5- [5- (4- fluorophenyl)- 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)c1ccc(cc1)F

STK581579
Synonyms: ethyl2- [1- (5- methylfuran- 2- yl)- 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(o1)C)c(=O)c1c(o2)cccc1

STK581581
Synonyms: 2- (3,4- dimethylphenoxy)- N- [3- (1H- tetrazol- 1- yl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)n1cnnn1)COc1ccc(c(c1)C)C

STK581583
Synonyms: 9- methyl- 3- {(Z)- [3- (3- methylbutyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CC(CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O)C

STK581585
Synonyms: 2- (6- chloro- 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)ccc(c3)Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581586
Synonyms: 2- (5- bromo- 2- methoxyphenyl)- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: COc1cc2c(cc1OC)CCn1c2cc(c2cc(Br)ccc2OC)c(c1=N)C#N

STK581587
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- ({4- ethyl- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1CC)COc1ccc(cc1)C)C

STK581589
Synonyms: 4- butyl- 6- chloro- 2- oxo- 2H- chromen- 7- ylN- [(benzyloxy)carbonyl]- L- isoleucinate
Smiles: CC[C@H]([C@@H](C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CCCC)NC(=O)OCc1ccccc1)C

STK581590
Synonyms: (E)- {2- (4- butoxy- 3- ethoxyphenyl)- 1- [2- (dimethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

STK581592
Synonyms: N- [3- (1,3- benzodioxol- 5- yl)- 6- chloro- 4- oxo- 4H- chromen- 2- yl]furan- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)c(c(o2)NC(=O)c1ccco1)c1ccc2c(c1)OCO2

STK581593
Synonyms: dicyclohexyl[(phenylamino)(3,4,5- trimethoxyphenyl)methyl]phosphonate
Smiles: COc1cc(cc(c1OC)OC)C(P(=O)(OC1CCCCC1)OC1CCCCC1)Nc1ccccc1

STK581597
Synonyms: 7- (4- fluorobenzyl)- 6- hydroxy- 3- methyl- 8- [(3- methylbutyl)amino]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(CCNc1nc2c(n1Cc1ccc(cc1)F)c(O)nc(=O)n2C)C

STK581599
Synonyms: N,N- dibutyl- 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- amine
Smiles: CCCCN(c1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C)CCCC

STK581600
Synonyms: N- [1- (3- chloro- 4- fluorophenyl)- 2- hydroxy- 5- oxo- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]- 3,4- dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)NC1(N=C(N(C1=O)c1ccc(c(c1)Cl)F)O)C(F)(F)F

STK581601
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- bromo- 2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK581603
Synonyms: 3- (4- methoxyphenyl)- 1',3'- dimethyl- 8- nitro- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N(C)C(=O)N(C1=O)C

STK581604
Synonyms: 1,3,7- trimethyl- 9- phenyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CC1CN(c2ccccc2)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)C

STK581605
Synonyms: (2Z)- 7- {[bis(2- methoxyethyl)ammonio]methyl}- 2- (3,4- dimethoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)OC)OC)/C2=O)CCOC

STK581606
Synonyms: 2- [9- (4- fluorophenyl)- 1,7- dimethyl- 2,4- dioxo- 1,4,6,7,8,9- hexahydropyrimido[2,1- f]purin- 3(2H)- yl]acetamide
Smiles: CC1CN(c2ccc(cc2)F)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)CC(=O)N

STK581609
Synonyms: N- (4- chlorophenyl)- 2- {[3- cyano- 5- hydroxy- 4- (thiophen- 2- yl)- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Cl)N=C2C(=C(O)CCC2)C1c1cccs1

STK581610
Synonyms: 3- (1H- benzimidazol- 1- yl)- N- (furan- 2- ylmethyl)propanamide
Smiles: O=C(CCn1cnc2c1cccc2)NCc1ccco1

STK581611
Synonyms: methylN- [(4- butylphenyl)carbamoyl]- L- phenylalaninate
Smiles: CCCCc1ccc(cc1)NC(=O)N[C@H](C(=O)OC)Cc1ccccc1

STK581612
Synonyms: 7- hydroxy- 2- methyl- 6,9- diphenyl- 6,8,9,10- tetrahydro[1,2,4]triazolo[5',1':2,3]pyrimido[4,5- b]quinolin- 5(4H)- one
Smiles: Cc1nn2c(n1)[nH]c(=O)c1c2N=C2CC(CC(=C2C1c1ccccc1)O)c1ccccc1

STK581613
Synonyms: 2- {[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)NCCc1ccccc1

STK581614
Synonyms: methyl4- (3- cyano- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinolin- 2- yl)benzoate
Smiles: COC(=O)c1ccc(cc1)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC

STK581615
Synonyms: 1- ethyl- 4- hydroxy- 2- oxo- N- [3- (piperidin- 1- yl)propyl]- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCn1c(=O)c(C(=O)NCCCN2CCCCC2)c(c2c1cccc2)O

STK581616
Synonyms: 8- (3- chloro- 2- methylphenyl)- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Clc1cccc(c1C)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK581618
Synonyms: methyl4- [9- (5- methyl- 1,2- oxazol- 3- yl)- 7,10- dioxo- 7,8,9,10- tetrahydrobenzo[7,8]chromeno[2,3- c]pyrrol- 8- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK581619
Synonyms: 7- (4- chlorobenzyl)- 8- (4- ethylpiperazin- 1- yl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)Cl)c(O)nc(=O)n2C

STK581620
Synonyms: methyl4- [(E)- {2- [(5- {3- methoxy- 4- [(4- methylbenzyl)oxy]phenyl}- 1H- pyrazol- 3- yl)carbonyl]hydrazinylidene}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccc(c(c1)OC)OCc1ccc(cc1)C

STK581621
Synonyms: 6,8- dibromo- N- (2- chlorobenzyl)- 2,4- dihydroxyquinoline- 3- carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCc1ccccc1Cl

STK581623
Synonyms: 1- [10- (3,4- dimethoxyphenyl)- 8- methyl- 2- (pyridin- 4- yl)- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: COc1cc(ccc1OC)C1C(=C(C)Oc2c1c1nc(nn1cn2)c1ccncc1)C(=O)C

STK581624
Synonyms: (5E)- 6- hydroxy- 3- (4- methoxyphenyl)- 5- {1- [(tetrahydrofuran- 2- ylmethyl)amino]propylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NCC1CCCO1

STK581625
Synonyms: 5- (2- fluorophenyl)- 4- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)C

STK581628
Synonyms: 2- {[3- (1,3- benzodioxol- 5- ylamino)- 2- oxopropyl]sulfanyl}- 5- hydroxy- 4- (4- methoxyphenyl)- 7,7- dimethyl- 4,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCC(=O)CNc2ccc3c(c2)OCO3)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)OC

STK581629
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- difluorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1c1cccc(c1)Cl

STK581630
Synonyms: methylN- {(E)- [1- (3- methylphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C)S

STK581631
Synonyms: 2- {[5- (4- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- phenoxyphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Cl

STK581634
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[4- ethyl- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1CC)Cc1cccs1)CC

STK581637
Synonyms: {(3E)- 2- (2- fluorophenyl)- 3- [hydroxy(4- nitrophenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/O)/C1c1ccccc1F

STK581638
Synonyms: 2- (2- fluorophenyl)- 3- (2- methoxyethyl)- 4H- thiochromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)c1ccccc1F

STK581640
Synonyms: 2- {[3- cyano- 6- hydroxy- 4- (4- methylphenyl)- 4,5- dihydropyridin- 2- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2C)N=C(CC1c1ccc(cc1)C)O

STK581641
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- ethoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK581642
Synonyms: 3- (3- hydroxypropyl)- 8- (3- methoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)OC

STK581643
Synonyms: 5,7- dimethyl- N- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)NCCc1ccccc1

STK581644
Synonyms: 1- [(2E)- 2- (2- chlorobenzylidene)hydrazinyl]- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1ccccc1Cl)c1ccccc1n2

STK581645
Synonyms: 3- (4- methoxyphenoxy)- 4- oxo- 8- (piperidinium- 1- ylmethyl)- 4H- chromen- 7- olate
Smiles: COc1ccc(cc1)Oc1coc2c(c1=O)ccc(c2C[NH+]1CCCCC1)[O-]

STK581647
Synonyms: (5Z)- 5- ({1- [4- (dimethylamino)phenyl]- 1H- pyrrol- 2- yl}methylidene)- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cccn2c2ccc(cc2)N(C)C)/C1=O)O

STK581648
Synonyms: 4- methyl- N- (6- methyl- 5- oxo- 2,4- diphenyl- 2,5- dihydropyridazin- 3- yl)benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1n(nc(c(=O)c1c1ccccc1)C)c1ccccc1

STK581649
Synonyms: (5Z)- 3- (4- chlorophenyl)- 5- {1- [(furan- 2- ylmethyl)amino]ethylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C(/NCc2ccco2)\C)/C1=O)O

STK581650
Synonyms: N- {4- [(3E)- 3- [hydroxy(phenyl)methylidene]- 2- (4- methoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]phenyl}acetamide
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)NC(=O)C)C(=O)C(=O)/C/1=C(\c1ccccc1)/O

STK581651
Synonyms: N- {4- [(3a'S,6a'R)- 7- ethyl- 3'- (1H- indol- 3- ylmethyl)- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]phenyl}acetamide
Smiles: CCc1cccc2c1NC(=O)C12NC([C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)NC(=O)C)Cc1c[nH]c2c1cccc2

STK581655
Synonyms: N- [(2E)- 3- (4- bromophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1ccc(cc1)Br)CS(=O)(=O)C2

STK581659
Synonyms: (5Z)- 3- cyclohexyl- 6- hydroxy- 5- (1- {[3- (trifluoromethyl)phenyl]amino}ethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(/Nc2cccc(c2)C(F)(F)F)\C)/C(=O)N1C1CCCCC1

STK581660
Synonyms: 8- (3- chlorophenyl)- 2- [(4- methoxyphenoxy)methyl]- 10- 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: COc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1cccc(c1)Cl

STK581664
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK581665
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 8- {[3- (morpholin- 4- yl)propyl]amino}- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(NCCCN2CCOCC2)nc2c1c(O)nc(=O)n2C)COc1cccc(c1)C

STK581666
Synonyms: 3- [(3a'S,6a'R)- 6- chloro- 5'- cyclohexyl- 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)C1CCCCC1)C(=O)Nc1c2ccc(c1C)Cl

STK581667
Synonyms: 4- {[4- (2- methoxyphenyl)piperazin- 1- ium- 1- yl]methyl}- 7- methyl- 2- oxo- 2H- chromen- 6- olate
Smiles: COc1ccccc1N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)C

STK581669
Synonyms: 2,10- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nc(n2)C

STK581670
Synonyms: N- (2- fluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK581671
Synonyms: 2- (4- chlorophenoxy)- N- [2- (1H- imidazol- 5- yl)ethyl]acetamide
Smiles: O=C(COc1ccc(cc1)Cl)NCCc1[nH]cnc1

STK581672
Synonyms: 7- (3- chlorobenzyl)- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: Clc1cccc(c1)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2

STK581673
Synonyms: 7- (2- ethoxyethyl)- 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCOCCn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C

STK581675
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (4- chlorophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1ccc(cc1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581676
Synonyms: N- [(2E)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- methylpropanamide
Smiles: CC(C(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F)C

STK581677
Synonyms: 1,3- dimethyl- 8- [(4- methylpiperidin- 1- yl)methyl]- 7- [(2E)- 3- phenylprop- 2- en- 1- yl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1C/C=C/c1ccccc1)c(=O)n(c(=O)n2C)C

STK581678
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(c(c1)Cl)F

STK581679
Synonyms: (4E)- 5- (4- hydroxy- 3- methoxyphenyl)- 4- {hydroxy[4- (2- methylpropoxy)phenyl]methylidene}- 1- (2- methoxyethyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC(C)C)/O)/C1c1ccc(c(c1)OC)O

STK581680
Synonyms: N- (3,5- dichlorophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK581681
Synonyms: ethyl2- [1- (4- ethoxyphenyl)- 3,9- dioxo- 3,9- dihydrochromeno[2,3- c]pyrrol- 2(1H)- yl]- 1,3- benzothiazole- 6- carboxylate
Smiles: CCOc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C(=O)OCC)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581682
Synonyms: N- (2,4- dimethylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)C)nnc1Cc1cccs1

STK581684
Synonyms: 2- (ethylsulfanyl)- 9- (2,4,5- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nc2n(n1)C(C1=C(O)CCCC1=N2)c1cc(OC)c(cc1OC)OC

STK581685
Synonyms: 4- {[(E)- anthracen- 9- ylmethylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1c2ccccc2cc2c1cccc2

STK581686
Synonyms: 1- (4- methoxyphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)c1ccccn1

STK581687
Synonyms: 3- methyl- N- (1- methyl- 2- {2- [4- (4- methylphenyl)piperazin- 1- yl]ethyl}- 1H- benzimidazol- 5- yl)butanamide
Smiles: CC(CC(=O)Nc1ccc2c(c1)nc(n2C)CCN1CCN(CC1)c1ccc(cc1)C)C

STK581689
Synonyms: 1- (4- fluorobenzyl)- 3- (furan- 2- ylmethyl)- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Fc1ccc(cc1)Cn1c(=O)n(Cc2ccco2)c(=O)c2c1sc1c2CCCCC1

STK581690
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1N)c1n[nH]c(c1)C

STK581691
Synonyms: (1'R,2'R)- 2'- (furan- 2- yl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccco1)C(=O)c1c(C2=O)cccc1)c1ccccc1

STK581692
Synonyms: 5- (biphenyl- 4- yl)- 7- (4- bromophenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Brc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)c1ccccc1

STK581695
Synonyms: 1- methyl- 3- (3- methylbutyl)- 8- (3- methylphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)C)C

STK581696
Synonyms: N- (4- bromophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK581698
Synonyms: N- (5- chloro- 6- oxo- 1- phenyl- 1,6- dihydropyridazin- 4- yl)benzenesulfonamide
Smiles: O=c1c(Cl)c(cnn1c1ccccc1)NS(=O)(=O)c1ccccc1

STK581700
Synonyms: 7- ethyl- 6- hydroxy- 3- methyl- 8- [4- (2- methylbenzyl)piperazin- 1- yl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1C

STK581701
Synonyms: N- [(2E)- 5,5- dioxido- 3- (prop- 2- en- 1- yl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3- phenylpropanamide
Smiles: C=CCN1/C(=N\C(=O)CCc2ccccc2)/SC2C1CS(=O)(=O)C2

STK581703
Synonyms: (4E)- 5- [3- (benzyloxy)phenyl]- 1- [5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]pyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1ccccc1)c1cccc(c1)OCc1ccccc1

STK581704
Synonyms: N- (2- bromophenyl)- 4- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: O=C(Nc1ccccc1Br)CCCn1cnc2c(c1=O)cccc2

STK581706
Synonyms: (4E)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)- 5- (pyridin- 3- yl)pyrrolidine- 2,3- dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1nnc(s1)C)/O

STK581708
Synonyms: 2- [(3a'S,6a'R)- 7- chloro- 5'- (4- fluorobenzyl)- 5- 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)Cc1ccc(cc1)F)C(=O)Nc1c2cc(C)cc1Cl

STK581710
Synonyms: 9- (2- ethoxyphenyl)- 6- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCOc1ccccc1C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK581711
Synonyms: 2- [6- (propan- 2- yl)- 1,3- benzothiazol- 2- yl]- 1- (thiophen- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccs1)c(=O)c1c(o2)cccc1)C

STK581712
Synonyms: 7- hexyl- 6- hydroxy- 3- methyl- 8- [(2- oxopropyl)sulfanyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCCCCn1c(SCC(=O)C)nc2c1c(O)nc(=O)n2C

STK581713
Synonyms: 4- [(2E)- 2- (2,3- dimethoxybenzylidene)hydrazinyl]benzoicacid
Smiles: COc1c(/C=N/Nc2ccc(cc2)C(=O)O)cccc1OC

STK581715
Synonyms: [4- (2- methoxyphenyl)piperazin- 1- yl](4,5,6,7- tetrahydro- 2H- indazol- 3- yl)methanone
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1[nH]nc2c1CCCC2

STK581716
Synonyms: 3- [(3a'S,6a'R)- 5'- benzyl- 6- chloro- 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]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl

STK581717
Synonyms: (1Z)- 1- (2- hydroxy- 4- oxo- 1,3- thiazol- 5(4H)- ylidene)- 4,4,6,8- tetramethyl- 6- phenyl- 5,6- dihydro- 4H- pyrrolo[3,2,1- ij]quinolin- 2(1H)- one
Smiles: OC1=NC(=O)/C(=C/2\c3cc(C)cc4c3N(C2=O)C(C)(C)CC4(C)c2ccccc2)/S1

STK581718
Synonyms: N- (4- chloro- 2- methylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK581719
Synonyms: 4- amino- 7'- bromo- 5'- fluoro- 2'- oxo- 1',2',6,7,11,12- hexahydro- 10H- spiro[1,4- dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 2,3'- indole]- 3- carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc(F)cc1Br)cc1c(c3)OCCCO1

STK581722
Synonyms: 8- (3- chlorophenyl)- 9- (4- methylpiperazin- 1- yl)- 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7(8H)- one
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)nc(n(c3=O)c1cccc(c1)Cl)N1CCN(CC1)C)C

STK581723
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK581727
Synonyms: (1'R,2'R)- 1'- (2,2- dimethylpropanoyl)- 2'- (2- ethoxyphenyl)- 7'- methyl- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: CCOc1ccccc1[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)C)C(=O)C(C)(C)C

STK581728
Synonyms: 2- [(3a'S,6a'R)- 5'- (butan- 2- yl)- 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: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cccc2)C

STK581729
Synonyms: 4- [(3- chlorophenyl)amino]- 1- methyl- 3- nitroquinolin- 2(1H)- one
Smiles: Clc1cccc(c1)Nc1c2ccccc2n(c(=O)c1[N+](=O)[O-])C

STK581731
Synonyms: 1- (4- methoxyphenyl)- 2- [6- (propan- 2- yl)- 1,3- benzothiazol- 2- yl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK581732
Synonyms: (3R)- N- cyclopentyl- 2,2- dimethyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C1c2ccccc2C2N1[C@H](C(=O)NC1CCCC1)C(S2)(C)C

STK581734
Synonyms: (2Z)- 7- (morpholin- 4- ium- 4- ylmethyl)- 2- (4- nitrobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/Oc2c1ccc(c2C[NH+]1CCOCC1)[O-]

STK581735
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(2E)- 1- (2- methoxyphenyl)propan- 2- ylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/Cc1ccccc1OC)\C

STK581736
Synonyms: 2- hydroxy- 4- [(Z)- (4- iminio- 2- oxo- 2H- pyrimido[2,1- b][1,3]benzothiazol- 3(4H)- ylidene)methyl]phenolate
Smiles: O=C1N=c2sc3c(n2C(=[NH2+])/C/1=C/c1ccc(c(c1)O)[O-])cccc3

STK581737
Synonyms: N- (2,3- dihydroimidazo[2,1- b][1,3]benzothiazol- 6- yl)- 4- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)Nc1ccc2c(c1)n1CCN=c1s2

STK581738
Synonyms: 6- hydroxy- 1'- methyl- 6'- nitro- 2'- phenyl- 3- (2- phenylethyl)- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: O=C1N=C(O)C2(C(=O)N1CCc1ccccc1)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-]

STK581739
Synonyms: 3- (tetrahydrofuran- 2- ylmethyl)- 3,4,8,9- tetrahydro- 2H- cyclopenta[3,4]chromeno[8,7- e][1,3]oxazin- 6(7H)- one
Smiles: O=c1oc2c3CN(COc3ccc2c2c1CCC2)CC1CCCO1

STK581741
Synonyms: 1,3- dimethyl- 8- [(4- phenylpiperazin- 1- yl)methyl]- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1n(C)c2nc(n(c2c(=O)n1C)CCCc1ccccc1)CN1CCN(CC1)c1ccccc1

STK581742
Synonyms: 2- (4- chlorophenyl)- 3- [3- (2- iodo- 4- methylphenoxy)propyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1I)C

STK581743
Synonyms: 9- (3- chlorophenyl)- 10- [(2- hydroxypropyl)amino]- 2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: CC(CNc1nc2c3c(sc2c(=O)n1c1cccc(c1)Cl)nc(c1c3CC(C)(C)OC1)C)O

STK581744
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- ylN- [(4- methylphenyl)sulfonyl]norleucinate
Smiles: CCCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NS(=O)(=O)c1ccc(cc1)C

STK581746
Synonyms: N- [4- (dimethylamino)phenyl]- 2- {[5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)N(C)C)nnc1c1cccc(c1)OC

STK581747
Synonyms: 5- (2- chlorophenyl)- 4- {[(E)- (4- chlorophenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK581748
Synonyms: 4- methoxy- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1cccnc1

STK581749
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1Cc1cccs1

STK581751
Synonyms: 4- {[(E)- (2,4- dichlorophenyl)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/c1ccc(cc1Cl)Cl

STK581752
Synonyms: N- [(2E)- 5,5- dioxido- 3- (2- phenylethyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/SC2C(N1CCc1ccccc1)CS(=O)(=O)C2

STK581753
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [4- (benzyloxy)phenyl]- 6- cyclohexyl- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1N(C2CCCCC2)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)OCc1ccccc1

STK581754
Synonyms: 9- (3,5- difluorophenyl)- 6- phenyl- 2- (trifluoromethyl)- 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(F)(F)F)c1ccccc1

STK581756
Synonyms: 2- [(2,6- dichlorobenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1cc(O)n2c(n1)nc(n2)NCc1c(Cl)cccc1Cl

STK581758
Synonyms: 1- (4- fluorophenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)cccc1

STK581762
Synonyms: (1'S,3R,3'S,7a'S)- 5''- chloro- 1'- [(3- nitrophenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Clc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK581763
Synonyms: 2- chloro- N'- [(E)- (1- cyclopropyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]benzohydrazide
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NNC(=O)c1ccccc1Cl)C1CC1

STK581764
Synonyms: 6- {(E)- [(2E)- {4- hydroxy- 5- [2- oxo- 2- (phenylamino)ethyl]- 1,3- thiazol- 2(5H)- ylidene}hydrazinylidene]methyl}- 2,3- dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/N=C/1\N=C(C(S1)CC(=O)Nc1ccccc1)O

STK581765
Synonyms: 6- cyclopentyl- 1- (2- methylprop- 2- en- 1- yl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CC(=C)Cn1c(S)nc(=O)c2c1NCN(C2)C1CCCC1

STK581766
Synonyms: (1'S,3R,3'S,7a'S)- 7''- chloro- 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)Nc1c2cccc1Cl)c1ccc2c(c1)cccc2

STK581769
Synonyms: (2Z)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)- N- (thiophen- 2- ylmethyl)ethanamide
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)NCc1cccs1

STK581771
Synonyms: 4- {(2E)- 2- [(1- benzyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: Cc1nn(c(c1/C=N/Nc1ncnc2c1c1CCCCc1s2)C)Cc1ccccc1

STK581772
Synonyms: 2- ethyl- 1- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1ccc(cc1)F)c1ccccc1n2

STK581773
Synonyms: 4- ethyl- 9- [4- (morpholin- 4- ylmethyl)phenyl]- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: CCc1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc(cc1)CN1CCOCC1

STK581774
Synonyms: 7- (5- chloro- 2- methylphenyl)- 3- (4- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1cc(Cl)ccc1C

STK581775
Synonyms: N- (2- {[(1Z)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]amino}phenyl)acetamide
Smiles: CCCCN1C(=O)N=C(/C(=C(/Nc2ccccc2NC(=O)C)\C)/C1=O)O

STK581776
Synonyms: 5- phenyl- 4- {[(E)- (4- propoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1

STK581778
Synonyms: (5E)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]ethylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(\NCc2ccc3c(c2)OCO3)/C)/C(=O)N1c1ccccc1C

STK581779
Synonyms: 6- hydroxy- 8- [4- (2- hydroxyethyl)piperazin- 1- yl]- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCN1CCN(CC1)c1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C

STK581780
Synonyms: 1- (3- chlorophenyl)- 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccc(c1)Cl)c(=O)c1c(o2)cccc1

STK581781
Synonyms: 1- {3- [(2- chlorobenzyl)oxy]phenyl}- 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(=O)c2c(C1c1cccc(c1)OCc1ccccc1Cl)c(=O)c1c(o2)cc(c(c1)C)C

STK581782
Synonyms: 2- chloro- N- [4- (3- methoxyphenyl)- 6- methyl- 2- (4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: COc1cccc(c1)c1c(=O)c(C)nn(c1NC(=O)c1ccccc1Cl)c1ccc(cc1)C

STK581783
Synonyms: N- (3,4- diethoxyphenyl)- 2- (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)acetamide
Smiles: CCOc1cc(ccc1OCC)NC(=O)CN1CCc2c(C1C)cc1c(c2)OCCCO1

STK581785
Synonyms: 4- {[(E)- (4- ethoxyphenyl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC

STK581786
Synonyms: 3- [4- oxo- 4- (piperidin- 1- yl)butyl]- 1,2,3- benzotriazin- 4(3H)- one
Smiles: O=C(N1CCCCC1)CCCn1nnc2c(c1=O)cccc2

STK581787
Synonyms: N- (4- bromo- 2- methylphenyl)- 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK581790
Synonyms: 3- (1H- indol- 3- yl)- N- [2- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)ethyl]propanamide
Smiles: O=C(CCc1c[nH]c2c1cccc2)NCCc1nnc2n1cccc2

STK581791
Synonyms: 3- (2- methoxyphenyl)- 1',3'- dimethyl- 8- nitro- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: COc1ccccc1N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N(C)C(=O)N(C1=O)C

STK581793
Synonyms: (5E)- 5- ({[4- (diethylamino)phenyl]amino}methylidene)- 3- (4- ethylphenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2ccc(cc2)N(CC)CC)/C1=O)O

STK581794
Synonyms: N- (4- fluorophenyl)- Nalpha- (piperidin- 4- ylcarbonyl)- L- phenylalaninamide
Smiles: Fc1ccc(cc1)NC(=O)[C@@H](NC(=O)C1CCNCC1)Cc1ccccc1

STK581796
Synonyms: N- benzyl- 8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- amine
Smiles: CN1CCc2c(C1)sc1c2c(NCc2ccccc2)nc2n1nnn2

STK581797
Synonyms: (3a'S,6a'R)- 5'- (2,3- dihydro- 1,4- benzodioxin- 6- 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: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1ccc(cc1)O)C(=O)N2

STK581798
Synonyms: 1- (4- fluorobenzyl)- 8- [(4- methoxybenzyl)amino]- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)F

STK581799
Synonyms: 2,2- dimethyl- N- (5- methyl- 7- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)propanamide
Smiles: CC1CC(c2ccccc2)n2c(N1)nc(n2)NC(=O)C(C)(C)C

STK581800
Synonyms: 7- (3,4- dimethylphenyl)- 3- (4- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: O=C1CC2(C(=O)N1c1ccc(c(c1)C)C)ON=C(C2)c1ccc(cc1)[N+](=O)[O-]

STK581801
Synonyms: N- (3- bromophenyl)- 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK581802
Synonyms: (5Z)- 5- (1,3- benzodioxol- 5- ylmethylidene)- 2- (4- bromophenyl)- 3- (1,3- thiazol- 2- yl)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Brc1ccc(cc1)C1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1c1nccs1

STK581804
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 3- (2- methyl- 1H- benzimidazol- 1- yl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCCC1=CCCCC1

STK581805
Synonyms: (4E)- 1- [5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- ethoxy- 4- propoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK581806
Synonyms: 3- (2- methylphenyl)- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: OC1=C2C=Nc3c(N=C2CC(C1)c1ccccc1C)cccc3

STK581808
Synonyms: 1- (2- chlorophenyl)- 6- (2- phenylethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1ccccc1n1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK581809
Synonyms: 4- hydroxy- 5- (3- methoxyphenyl)- 2- (prop- 2- yn- 1- ylsulfanyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: C#CCSc1nc(O)c2c(n1)NC(=O)CC2c1cccc(c1)OC

STK581811
Synonyms: 7- (propan- 2- yl)- 14H- chromeno[2',3':4,5]pyrimido[1,6- a]benzimidazol- 14- one
Smiles: CC(c1nc2oc3ccccc3c(=O)c2c2n1c1ccccc1n2)C

STK581813
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (5- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1N)c1n[nH]c(c1)C

STK581816
Synonyms: 2- [(3- benzyl- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)C

STK581818
Synonyms: N- [(3- tert- butyl- 5,9- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]- 4- chlorophenylalanyl- beta- alanine
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NC(C(=O)NCCC(=O)O)Cc1ccc(cc1)Cl

STK581822
Synonyms: 2- bromo- N- [(3Z)- 6- methoxy- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzamide
Smiles: COc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N\C(=O)c1ccccc1Br)CC(C)C

STK581823
Synonyms: N- (2- bromo- 4,6- difluorophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(F)cc(cc2Br)F)nnc1c1cccc(c1)C