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

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STK590600
Synonyms: 3,4- dimethoxy- N- (2- methoxyethyl)- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccc(c(c1)OC)OC)Cc1cc2cccc(c2[nH]c1=O)C

STK590601
Synonyms: N'- {(1E)- 1- [4- hydroxy- 1- (2- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/CC

STK590603
Synonyms: 1- (4- methoxyphenyl)- 2- ({4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)OC)nnc1COc1ccc(cc1)C

STK590605
Synonyms: 4- {[(1E,2Z)- 2- chloro- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK590606
Synonyms: N- (3- hydroxypropyl)- 11- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: OCCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1C(C)CCC2

STK590607
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (naphthalen- 1- ylcarbonyl)- 2'- (pyridin- 4- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)cccc3)c1cccc2c1cccc2

STK590610
Synonyms: 3- (2- fluorophenyl)- 1',3'- bis(2- methylpropyl)- 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: CC(CN1C(=O)N(CC(C)C)C(=O)C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1ccccc1F)C

STK590611
Synonyms: (2'S,3S,3'S,10b'R)- 2',3'- bis[(4- fluorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK590613
Synonyms: 1- (4- chlorophenyl)- 3- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]pyrrolidine- 2,5- dione
Smiles: Clc1ccc(cc1)N1C(=O)CC(C1=O)N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK590615
Synonyms: 2- (furan- 2- yl)- 3- [2- (4- methoxyphenyl)ethyl]- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc(cc1)CCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccco1

STK590618
Synonyms: 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 1- (4- fluorophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK590619
Synonyms: 7- fluoro- 1- (3- fluorophenyl)- 2- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK590620
Synonyms: 3,6- diamino- 5- cyano- N- (2,2- diphenylethyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NCC(c1ccccc1)c1ccccc1

STK590621
Synonyms: (4E)- 4- [({4- [(difluoromethyl)sulfanyl]phenyl}amino)methylidene]- 2- (6- methylpyridin- 2- yl)isoquinoline- 1,3(2H,4H)- dione
Smiles: FC(Sc1ccc(cc1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(n1)C)F

STK590623
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- 8- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCOCC1)C

STK590625
Synonyms: 7- {(E)- [2- (5- phenylthieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}[1,3]dioxolo[4,5- g]quinolin- 6- ol
Smiles: Oc1nc2cc3OCOc3cc2cc1/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK590626
Synonyms: 1- (3,4- dichlorophenyl)- 2- [(4,5- diphenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)CSc1nnc(n1c1ccccc1)c1ccccc1

STK590627
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: COc1cc(CCNc2nc(nc3c2oc2c3cccc2)c2ccccc2)ccc1OC

STK590628
Synonyms: (4E)- 2- phenyl- 4- {[(pyridin- 2- ylmethyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)c2c(/C/1=C\NCc1ccccn1)cccc2

STK590630
Synonyms: (4E)- 5- (4- fluorophenyl)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)F)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK590631
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (3- methoxy- 4- propoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCCOc1ccc(cc1OC)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK590633
Synonyms: 4- {[(E)- (2- hydroxy- 3- methoxyphenyl)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(c1O)OC

STK590634
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: Cc1cccc(c1)c1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)CC(OC2)(C)C

STK590635
Synonyms: 7- bromo- 2- (2- hydroxyethyl)- 1- (3- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)OC)c(=O)c1c(o2)ccc(c1)Br

STK590638
Synonyms: 4- (3- chlorophenyl)- 1- [(4- fluorobenzyl)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: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCc1ccc(cc1)F)nn2)c1cccc(c1)Cl

STK590639
Synonyms: 3- (3,5- dimethoxybenzyl)- 6- hydroxy- 1'- methyl- 6'- nitro- 2'- phenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: COc1cc(cc(c1)OC)CN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-])O

STK590640
Synonyms: 3- [(4- tert- butylbenzyl)sulfanyl]- 5- (4- methoxyphenyl)- 4- methyl- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)c1nnc(n1C)SCc1ccc(cc1)C(C)(C)C

STK590641
Synonyms: (3'E)- 1- butyl- 3'- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1'- (2- methoxyethyl)spiro[indole- 3,2'- pyrrolidine]- 2,4',5'(1H)- trione
Smiles: CCCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\O)/C(=O)C(=O)N2CCOC

STK590642
Synonyms: (5E)- 5- [1- (azepan- 1- ylamino)ethylidene]- 6- hydroxy- 3- (4- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NN2CCCCCC2)/C)/C1=O)O

STK590643
Synonyms: ethyl4- [3- (2- fluorobenzyl)- 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)Cc1ccccc1F

STK590645
Synonyms: (2Z)- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)- 1- (3- {[4- (4- fluorophenyl)piperazin- 1- yl]sulfonyl}phenyl)ethanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2

STK590647
Synonyms: 2- [(6- chloro- 4- ethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 2- ylmethyl)propanamide
Smiles: CCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCc1ccccn1)C

STK590648
Synonyms: N- (biphenyl- 2- yl)- 2- {[4- methyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1C)c1cccc(c1)C

STK590649
Synonyms: 3- {[5- chloro- 6- oxo- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1,6- dihydropyridazin- 4- yl]amino}- 4- methoxybenzoicacid
Smiles: COc1ccc(cc1Nc1cnn(c(=O)c1Cl)C12CC3CC(C2)CC(C1)C3)C(=O)O

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

STK591055
Synonyms: 2- [(4- chlorophenoxy)methyl]- 9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccc(cc1)Cl

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

STK591772
Synonyms: N- (furan- 2- ylmethyl)- 5- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CCCC2)NCc1ccco1

STK591773
Synonyms: (3R,3'S,5'R)- 5'- (2- amino- 2- oxoethyl)- 5- chloro- N- (2,5- dimethoxyphenyl)- 7- methyl- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(Cl)cc1C)CC(=O)N)OC

STK591774
Synonyms: 4- ({[5- (2- methoxyphenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzonitrile
Smiles: COc1ccccc1c1nnc(n1c1ccccc1)SCc1ccc(cc1)C#N

STK591775
Synonyms: N- (3- chlorophenyl)- 2- [(11- methyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- yl)sulfanyl]acetamide
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCC(=O)Nc1cccc(c1)Cl)nn2

STK591776
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1ccc(cc1)Br

STK591777
Synonyms: (4E)- 2- (5- chloro- 2- methylphenyl)- 4- {[(2- hydroxyethyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(Cl)ccc1C

STK591778
Synonyms: (4E)- 4- [(4- fluorophenyl)(hydroxy)methylidene]- 5- phenyl- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK591779
Synonyms: 5- [(3- chlorobenzyl)oxy]- 2- [4- (3,4- dimethoxyphenyl)- 1,2- oxazol- 5- yl]phenol
Smiles: COc1cc(ccc1OC)c1cnoc1c1ccc(cc1O)OCc1cccc(c1)Cl

STK591780
Synonyms: (3a'S,6a'R)- 5- chloro- 5'- cyclopentyl- 3'- (3,4- dihydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCC1)Cc1ccc(c(c1)O)O)C(=O)N2

STK591781
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK591782
Synonyms: N- [(5E)- 5- (3,4- dihydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- hydroxybenzamide
Smiles: Oc1ccc(cc1)C(=O)NN1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O

STK591784
Synonyms: 3- (2,6- dimethylphenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: N=C1SC2C(N1c1c(C)cccc1C)CS(=O)(=O)C2

STK591786
Synonyms: 2- chloro- N'- {(1Z)- 1- [4- hydroxy- 1- (2- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}benzohydrazide
Smiles: C/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/NNC(=O)c1ccccc1Cl

STK591787
Synonyms: (5Z)- 5- {4- [(2- chlorobenzyl)oxy]benzylidene}- 4- hydroxy- 1,3- thiazol- 2(5H)- one
Smiles: O=C1N=C(/C(=C/c2ccc(cc2)OCc2ccccc2Cl)/S1)O

STK591788
Synonyms: 3- [7- (2,5- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]phenol
Smiles: Cc1ccc(c(c1)n1ncc2c1ncn1c2nnc1c1cccc(c1)O)C

STK591790
Synonyms: (2Z)- 2- [(2E)- (furan- 2- ylmethylidene)hydrazinylidene]- 4- hydroxy- N- (4- methylphenyl)- 5,6- dihydro- 2H- 1,3- thiazine- 6- carboxamide
Smiles: O=C(C1CC(=N/C(=N/N=C/c2ccco2)/S1)O)Nc1ccc(cc1)C

STK591791
Synonyms: N- (4- fluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK591792
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- yl(2S)- {[(4- methylphenyl)sulfonyl]amino}(phenyl)ethanoate
Smiles: O=C([C@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK591794
Synonyms: 8- [(2E)- 2- benzylidenehydrazinyl]- 7- (4- fluorobenzyl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2ccccc2)nc2c1c(O)nc(=O)n2C

STK591799
Synonyms: 7'- [(E)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene}methyl]- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1CCC1=CCCCC1

STK591800
Synonyms: 2- [(5Z)- 5- benzylidene- 2,4- dioxo- 1,3- thiazolidin- 3- yl]- N- [(2- hydroxyquinolin- 4- yl)methyl]- N- methylacetamide
Smiles: Oc1cc(CN(C(=O)CN2C(=O)S/C(=C\c3ccccc3)/C2=O)C)c2c(n1)cccc2

STK591801
Synonyms: 4- (3,4- dichlorophenyl)- 1- (4- methoxyphenyl)- N- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)cc3c1ccc(c(c1)Cl)Cl

STK591802
Synonyms: dimethyl7- (2- hydroxy- 5- nitrophenyl)- 2- oxo- 3,7- dihydro- 2H- thiopyrano[2,3- d][1,3]thiazole- 5,6- dicarboxylate
Smiles: COC(=O)C1=C(Sc2c(C1c1cc(ccc1O)[N+](=O)[O-])sc(=O)[nH]2)C(=O)OC

STK591803
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK591805
Synonyms: 3- methyl- 7- sulfanyl- 4H- [1,3,4]thiadiazolo[2,3- c][1,2,4]triazin- 4- one
Smiles: Sc1nn2c(s1)nnc(c2=O)C

STK591806
Synonyms: 1- (4- bromophenyl)- 4- phenyl- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)CC(C2=C1COC2=O)c1ccccc1

STK591807
Synonyms: 2- (5- methoxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 2- ylmethyl)acetamide
Smiles: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCc1ccccn1

STK591810
Synonyms: N- (2- bromophenyl)- 2- {[5- (3- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1c1cccc(c1)Cl

STK591812
Synonyms: 6,6'- [(2,3- dichlorophenyl)methanediyl]bis(7- hydroxy- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 5- one)
Smiles: Oc1nc2SCCn2c(=O)c1C(c1c(O)nc2n(c1=O)CCS2)c1cccc(c1Cl)Cl

STK591814
Synonyms: 6- (2- chlorobenzyl)- 2- [(4- chlorobenzyl)sulfanyl]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1ccc(cc1)CSc1nn2c(n1)nc(c(c2O)Cc1ccccc1Cl)C

STK591818
Synonyms: 6- (4- fluorophenyl)- 7- hydroxy- 2,9,9- trimethyl- 6,8,9,10- tetrahydro[1,2,4]triazolo[5',1':2,3]pyrimido[4,5- b]quinolin- 5(4H)- one
Smiles: Fc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c1n2nc(n1)C)(C)C

STK591819
Synonyms: 6- (4- chlorophenyl)- 2- methyl- 7- (pyridin- 3- yl)- 7,12- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1cccnc1)n1c(N2)ncn1)C

STK591820
Synonyms: 7- [3- (1,3- benzothiazol- 2- ylsulfanyl)propyl]- 6- hydroxy- 3- methyl- 8- (piperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCCSc1nc2c(s1)cccc2)N1CCCCC1)O

STK591821
Synonyms: 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- N- (4- phenoxyphenyl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(cc1)Oc1ccccc1

STK591822
Synonyms: N- {(2S)- 1- [(4- methoxybenzyl)amino]- 1- oxopropan- 2- yl}- 1- (4- methoxyphenyl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)C1CN(C(=O)C1)c1ccc(cc1)OC)C

STK591824
Synonyms: 7- chloro- 1- (4- ethoxyphenyl)- 2- (4- methyl- 1,3- thiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1)C1N(c2scc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK591826
Synonyms: 5- (4- ethoxyphenyl)- 4- methyl- N'- [(1E)- 1- phenylethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: CCOc1ccc(cc1)c1[nH]nc(c1C)C(=O)N/N=C(/c1ccccc1)\C

STK591827
Synonyms: N- (3- methylphenyl)- 4- (4- methylphenyl)- 1- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)C)c1ccccc1

STK591828
Synonyms: 7'- ({(Z)- [1- (2- methoxyethyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}amino)- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3
Smiles: COCCN1C(=NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S

STK591830
Synonyms: 4- fluoro- N- (2- methoxyethyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccc(cc1)F)Cc1cc2ccccc2[nH]c1=O

STK591832
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK591834
Synonyms: 5- {[1- (3- hydroxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Oc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK591835
Synonyms: 1- [11- (3,4- dimethoxyphenyl)- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 2- methylpropan- 1- one
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(C)C)cccc2)(C)C

STK591836
Synonyms: (3R)- N- [(2S)- 1- (cyclopentylamino)- 3- methyl- 1- oxobutan- 2- yl]- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CC([C@@H](C(=O)NC1CCCC1)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1)C

STK591837
Synonyms: 7- (2- fluorobenzyl)- 1,3- dimethyl- 8- {[3- (propan- 2- yloxy)propyl]amino}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(OCCCNc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C)C

STK591838
Synonyms: (4E)- 5- (4- bromophenyl)- 4- [hydroxy(4- methylphenyl)methylidene]- 1- (4- methylphenyl)pyrrolidine- 2,3- dione
Smiles: Brc1ccc(cc1)C1N(c2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)C)/O

STK591839
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- {[4- (propan- 2- yloxy)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CC(Oc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C

STK591841
Synonyms: 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK591842
Synonyms: 9'- fluoro- 1- phenyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1cccc(c1N1C2CCC1)F

STK591843
Synonyms: (4E)- 5- (4- bromophenyl)- 1- (4- hydroxyphenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)O

STK591845
Synonyms: 8- [(4- benzylpiperidin- 1- yl)methyl]- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCc1ccccc1)CN1CCC(CC1)Cc1ccccc1

STK591846
Synonyms: 5- (4- fluorophenyl)- 4- ({(E)- [4- (trifluoromethyl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(F)(F)F

STK591847
Synonyms: 3- (furan- 2- ylmethyl)- 8- methoxy- 5- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1n2C)Cc1ccco1

STK591848
Synonyms: 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (naphthalen- 2- yl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1ccccc1F

STK591849
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- fluorophenyl)carbonyl]- 2'- (thiophen- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK591850
Synonyms: 7- chloro- 1- (3- methoxyphenyl)- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK591853
Synonyms: 2- [4- (benzyloxy)- 3- methoxyphenyl]- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: COc1cc(ccc1OCc1ccccc1)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC

STK591854
Synonyms: 2- [4- (7- benzyl- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl)piperazin- 1- yl]acetamide
Smiles: NC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STK591856
Synonyms: 1- (biphenyl- 4- yl)- 2- ({4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)c2ccccc2)nnc1COc1ccc(cc1)C

STK591858
Synonyms: 8- chloro- N- (3- ethoxypropyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: CCOCCCNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK591860
Synonyms: 1- {N- [(5- methyl- 7- oxo- 3- phenyl- 7H- furo[3,2- g]chromen- 6- yl)acetyl]glycylglycyl}piperidine- 4- carboxamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NCC(=O)NCC(=O)N1CCC(CC1)C(=O)N

STK591861
Synonyms: 5- (4- methoxyphenyl)- 1,3- dimethyl- 10- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccc(cc1)C

STK591863
Synonyms: N- {[(3S)- 2- (tert- butoxycarbonyl)- 1,2,3,4- tetrahydroisoquinolin- 3- yl]carbonyl}- L- tryptophan
Smiles: O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2

STK591864
Synonyms: N- (3- methylphenyl)- 2- [(11- methyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- yl)sulfanyl]acetamide
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCC(=O)Nc1cccc(c1)C)nn2

STK591865
Synonyms: N- [(2Z)- 3- (3- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: COc1cccc(c1)CN1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK591866
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK591868
Synonyms: (5E)- 6- hydroxy- 5- [(1- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidin- 4(5H)- one
Smiles: SC1=NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cc(C)ccc2C(C)C)/C(=N1)O

STK591869
Synonyms: (3R,3'S,5'S)- N- (2,5- dimethoxyphenyl)- 5,7- dimethyl- 5'- (2- methylpropyl)- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1C)CC(C)C)OC

STK591870
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F)C

STK591871
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [4- (diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl)CC

STK591874
Synonyms: 10- (3,4- dihydroxyphenyl)- 1,3,7,7- tetramethyl- 5- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Cc1ccc(cc1)c1c2c(c3n1C(C)(C)COC3c1ccc(c(c1)O)O)n(C)c(=O)n(c2=O)C

STK591875
Synonyms: 3'- (2- chlorophenyl)- 6'- hydroxy- 2,4- dimethyl- 8- nitro- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)c1ccccc1Cl)O)[N+](=O)[O-]

STK591877
Synonyms: 3- [(2E)- 2- (quinolin- 4- ylmethylidene)hydrazinyl]- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: c1ccc2c(c1)c(/C=N/Nc1nnc3c(n1)[nH]c1c3cccc1)ccn2

STK591878
Synonyms: 4- [(E)- {[3- (2- chlorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]- 2- methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK591879
Synonyms: 3- [2- (cyclohex- 1- en- 1- yl)ethyl]- 11- {[(E)- pyridin- 4- ylmethylidene]amino}- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(CCC2=CCCCC2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccncc1

STK591880
Synonyms: (2E,5Z)- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 2- (phenylimino)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OC1=N/C(=N\c2ccccc2)/S/C/1=C\c1cn(c2c1cccc2)C

STK591881
Synonyms: 7- chloro- 3- methyl- 1',3'- diphenyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=O)N(c2ccccc2)C(=O)N(C1=O)c1ccccc1

STK591882
Synonyms: N- [(2Z)- 3- (2,6- dimethylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1c(C)cccc1C)CS(=O)(=O)C2

STK591883
Synonyms: 4- (2- methoxyphenyl)- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 2- amine
Smiles: COc1ccccc1C1N=C(N)N=c2n1c1ccccc1[nH]2

STK591884
Synonyms: N- [2- (3,4- dimethylphenyl)- 6- methyl- 4- (4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)C)C)c1ccc(c(c1)C)C

STK591885
Synonyms: N- (butan- 2- yl)- 3- (2,3- dihydro- 1,4- benzodioxin- 2- yl)propanamide
Smiles: CCC(NC(=O)CCC1COc2c(O1)cccc2)C

STK591888
Synonyms: N- (2- methoxyethyl)- 5,11- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: COCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1C(C)CCC2

STK591889
Synonyms: methylN- [(thiophen- 2- ylmethyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NCc1cccs1

STK591890
Synonyms: methyl2- [(3E)- 3- {hydroxy[4- (propan- 2- yloxy)phenyl]methylidene}- 4,5- dioxo- 2- (pyridin- 3- yl)pyrrolidin- 1- yl]- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC(C)C)/O)/C1c1cccnc1

STK591891
Synonyms: (3E,11aS)- 3- {4- [(2,4- dichlorobenzyl)oxy]benzylidene}- 11,11a- dihydro- 2H- pyrazino[1,2- b]isoquinoline- 1,4(3H,6H)- dione
Smiles: O=C1N/C(=C/c2ccc(cc2)OCc2ccc(cc2Cl)Cl)/C(=O)N2[C@H]1Cc1ccccc1C2

STK591892
Synonyms: N- [(2Z)- 3- (2,4- dimethoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1OC)OC)CS(=O)(=O)C2

STK591894
Synonyms: 2- [(3a'S,6a'R)- 5'- (4- butylphenyl)- 5- fluoro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: CCCCc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2

STK591895
Synonyms: 1,3- dimethyl- 5- (5- phenyl- 1- propanoylpyrazolidin- 3- ylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(=O)N1NC(=C2C(=O)N(C)C(=O)N(C2=O)C)CC1c1ccccc1

STK591896
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK591897
Synonyms: 7- chloro- 1',3'- diethyl- 3- phenyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CCN1C(=O)N(CC)C(=O)C2(C1=O)Cc1c(Cl)cccc1N1C2CN(CC1)c1ccccc1

STK591899
Synonyms: methylN- {(E)- [4- hydroxy- 2,6- dioxo- 1- (propan- 2- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)C(C)C)O

STK591901
Synonyms: N- (3- fluorophenyl)- 2- ({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK591903
Synonyms: 1- (4- chlorophenyl)- 4- (4- fluorophenyl)- N- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Clc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)cc3c1ccc(cc1)F

STK591904
Synonyms: 2- {[5- (2- chlorophenyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dichlorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)Cl)nnc1c1ccccc1Cl

STK591905
Synonyms: 4- [(Z)- (8- ethoxy- 4- iminio- 2- oxo- 2H- pyrimido[2,1- b][1,3]benzothiazol- 3(4H)- ylidene)methyl]- 2- hydroxyphenolate
Smiles: CCOc1ccc2c(c1)sc1=NC(=O)/C(=C\c3ccc(c(c3)O)[O-])/C(=[NH2+])n21

STK591906
Synonyms: 7- butyl- 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK591907
Synonyms: 2- (benzylsulfanyl)- 9- (2,5- dimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(c(c1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1)OC

STK591908
Synonyms: ethyl4- [({[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK591909
Synonyms: 2- [(3- benzyl- 4,7- dimethyl- 2- oxo- 2H- chromen- 5- yl)oxy]- N- (pyridin- 4- ylmethyl)acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)NCc1ccncc1

STK591910
Synonyms: (3aR,6aS)- 3- (2,5- dimethoxyphenyl)- 5- (2,4- dimethylphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)C)OC

STK591912
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- (3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)Nc1ccc2c(c1)OCCO2

STK591914
Synonyms: 4- chloro- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (tetrahydrofuran- 2- ylmethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1

STK591916
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,5- dimethylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(C)cc(c1)C

STK591917
Synonyms: tert- butyl[(1S)- 1- {4- amino- 5- [(2- chlorobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}- 2- methylpropyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(n1N)SCc1ccccc1Cl)C(C)C

STK591918
Synonyms: 8- (4- ethylphenyl)- 3- (3- hydroxypropyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)CC

STK591919
Synonyms: 7- bromo- 2- (2- hydroxyethyl)- 1- (2- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1ccccc1OC)c(=O)c1c(o2)ccc(c1)Br

STK591920
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1C)c1cccc(c1)Cl

STK591922
Synonyms: N- {[(3S)- 2- (tert- butoxycarbonyl)- 1,2,3,4- tetrahydroisoquinolin- 3- yl]carbonyl}- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK591923
Synonyms: 1- (3- chlorophenyl)- 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591924
Synonyms: 3- [4- (ethoxycarbonyl)phenoxy]- 4- oxo- 8- (piperidinium- 1- ylmethyl)- 4H- chromen- 7- olate
Smiles: CCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2C[NH+]1CCCCC1)[O-]

STK591925
Synonyms: N- ({4- phenyl- 1- [(2,3,5,9- tetramethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]piperidin- 4- yl}carbonyl)- beta- alanine
Smiles: OC(=O)CCNC(=O)C1(CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)c1ccccc1

STK591927
Synonyms: methyl4- ({[(2- oxo- 2H- chromen- 7- yl)oxy]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)COc1ccc2c(c1)oc(=O)cc2

STK591930
Synonyms: 2- {[4- (4- chlorophenyl)- 3- cyano- 5- hydroxy- 7,7- dimethyl- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl

STK591932
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK591934
Synonyms: 3- [(3a'S,6a'R)- 5- fluoro- 5'- (2- methoxyethyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(F)cc2

STK591935
Synonyms: 5- (pyrazin- 2- yl)- 4- (quinolin- 6- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)cccn2)c1nccnc1

STK591936
Synonyms: 5- (4- fluorophenyl)- 4- {[(E)- (2- methoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK591937
Synonyms: 2- {[5- (2- chlorophenyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dichlorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1c1ccccc1Cl

STK591938
Synonyms: 2- (benzylsulfanyl)- 9- (3,4,5- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cc(cc(c1OC)OC)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK591939
Synonyms: N- (2,4- dichlorophenyl)- 6- (4- oxoquinazolin- 3(4H)- yl)hexanamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CCCCCn1cnc2c(c1=O)cccc2

STK591941
Synonyms: (5Z)- 3- ethyl- 6- hydroxy- 5- ({1- [3- (2- methoxyphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCN1C(=O)N=C(/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2OC)/C1=O)O

STK591943
Synonyms: 4- chloro- N- [3- (2- fluorophenyl)- 4- oxo- 4H- thiochromen- 2- yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1sc2ccccc2c(=O)c1c1ccccc1F

STK591944
Synonyms: N- [4- oxo- 3- (thiophen- 2- yl)- 4H- thiochromen- 2- yl]benzamide
Smiles: O=C(c1ccccc1)Nc1sc2ccccc2c(=O)c1c1cccs1

STK591945
Synonyms: 10- (4- hydroxyphenyl)- 1,3- dimethyl- 5- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Cc1ccc(cc1)c1c2c(c3n1CCOC3c1ccc(cc1)O)n(C)c(=O)n(c2=O)C

STK591947
Synonyms: (4E)- 1- {5- [(2,4- dichlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- ethoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK591948
Synonyms: 4- {[(E)- (3- bromophenyl)methylidene]amino}- 5- (3- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK591949
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- chlorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)Cl

STK591951
Synonyms: 6,7- dimethoxy- 2- (phenylsulfonyl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1ccccc1

STK591952
Synonyms: (E)- (4- bromophenyl){2- (4- bromophenyl)- 1- [2- (diethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: CC[NH+](CCN1C(c2ccc(cc2)Br)/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C1=O)CC

STK591953
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinolin- 8- amine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCN1CCOCC1

STK591954
Synonyms: N- (2- tert- butylphenyl)- 2- ({4- ethyl- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1COc1ccc(cc1)C

STK591960
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- (prop- 2- en- 1- yl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1Cc1cccs1

STK591961
Synonyms: 5- (3- methylphenyl)- 4- {[(E)- thiophen- 2- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccs1

STK591962
Synonyms: 5- (4- fluorophenyl)- 2,4- dihydroxy- 1- methyl- 1,5- dihydro- 6H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidin- 6- one
Smiles: Fc1ccc(cc1)C1C2=C(N=c3c1c(O)nc(n3C)O)c1c(C2=O)cccc1

STK591964
Synonyms: N- (2- bromophenyl)- 6- (4- oxoquinazolin- 3(4H)- yl)hexanamide
Smiles: O=C(Nc1ccccc1Br)CCCCCn1cnc2c(c1=O)cccc2

STK591965
Synonyms: 9- (4- chlorophenyl)- 6- (4- methylphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Cc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccc(cc2)Cl)ncn3)C1)O

STK591966
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[(4- chlorophenyl)sulfanyl]methyl}- 1H- 1,2,3- triazole- 4- carboxylicacid
Smiles: Clc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)O

STK591967
Synonyms: 3- (2- chlorophenyl)- 2,6- dihydroxy- 5- (6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)pyrimidin- 4(3H)- one
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1c(O)nc(n(c1=O)c1ccccc1Cl)O

STK591968
Synonyms: 5- (2- chlorophenyl)- 4- hydroxy- 2- (methylsulfanyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccccc1Cl

STK591970
Synonyms: 1',3'- dimethyl- 8- nitro- 2',4',6'- trioxo- 1,1',2,3',4,4',4a,6'- octahydro- 2'H,3H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 3- carbaldehyde
Smiles: O=CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N(C)C(=O)N(C1=O)C

STK591971
Synonyms: 3'- (1,3- benzodioxol- 5- ylmethyl)- 2,2- dimethyl- 8'- nitro- 2',3',4',4a'- tetrahydro- 1'H,6'H- spiro[1,3- dioxane- 5,5'- pyrazino[1,2- a]quinoline]- 4,6- dione
Smiles: [O-][N+](=O)c1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccc3c(c2)OCO3)C(=O)OC(OC1=O)(C)C

STK591972
Synonyms: (2Z)- N- (3,4- dimethoxyphenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanamide
Smiles: COc1ccc(cc1OC)NC(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK591974
Synonyms: (4E)- 5- (3- butoxyphenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK591976
Synonyms: 4- (4- methoxyphenyl)- 3- methyl- 1- (2- methylphenyl)- 4,11- dihydro- 1H- pyrazolo[3',4':4,5]pyrimido[1,2- a]benzimidazole
Smiles: COc1ccc(cc1)C1n2c(nc3c2cccc3)Nc2c1c(C)nn2c1ccccc1C

STK591978
Synonyms: N,N- dimethyl- N'- [4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]ethane- 1,2- diamine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3NCCN(C)C)C

STK591979
Synonyms: N- (2,6- dimethylphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1c(C)cccc1C

STK591982
Synonyms: 5- (3- methoxyphenyl)- 4- {[(E)- (3,4,5- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(OC)c(c(c1)OC)OC

STK591983
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- sulfamoylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1COc1ccccc1

STK591984
Synonyms: methyl{2- [(2- fluorobenzyl)amino]- 7- hydroxy- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 6- yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)NCc1ccccc1F

STK591988
Synonyms: N- [4- (acetylamino)phenyl]- 2- ({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK591991
Synonyms: methylN- [(2- fluorophenyl)carbamoyl]- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1ccccc1F

STK591992
Synonyms: 6- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (furan- 2- ylmethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COc1cc(CCN2CNc3c(C2)c(=O)nc(n3Cc2ccco2)S)ccc1OC

STK591993
Synonyms: 4- fluoro- N- [4- (4- methoxyphenyl)- 6- methyl- 2- (4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: COc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccc(cc1)F)c1ccc(cc1)C

STK591994
Synonyms: 6- chloro- 1- hydroxy- 9- oxo- 9H- xanthen- 3- ylN- [(benzyloxy)carbonyl]norleucinate
Smiles: CCCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)NC(=O)OCc1ccccc1

STK591995
Synonyms: 4- [(4- ethylpiperazin- 1- ium- 1- yl)methyl]- 7- methyl- 2- oxo- 2H- chromen- 6- olate
Smiles: CCN1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)C

STK591996
Synonyms: 1- (4- chlorophenyl)- N- (4- methoxyphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)C

STK591997
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)- 3- (4- chlorophenyl)- 6- (4- methylphenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- epoxy[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1O[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)Cl

STK591999
Synonyms: 6- cyclohexyl- 2- hydroxy- 1- (4- methylphenyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C1CCCCC1

STK592001
Synonyms: N- [(2Z)- 5,5- dioxido- 3- phenyltetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (thiophen- 2- yl)acetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccccc1)CS(=O)(=O)C2)Cc1cccs1

STK592002
Synonyms: N- (2- ethoxyphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)OC)Cc1cccs1

STK592003
Synonyms: (4E)- 4- ({1- [2- hydroxy- 3- (phenylamino)propyl]- 1H- indol- 3- yl}methylidene)- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: OC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)CNc1ccccc1

STK592004
Synonyms: 2- [(3a'S,6a'R)- 5- fluoro- 5'- (3- methoxypropyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2

STK592005
Synonyms: N- [6- chloro- 3- (4- fluorophenyl)- 4- oxo- 4H- chromen- 2- yl]- 3,4- dimethoxybenzamide
Smiles: COc1ccc(cc1OC)C(=O)Nc1oc2ccc(cc2c(=O)c1c1ccc(cc1)F)Cl

STK592006
Synonyms: (1S)- 3- (methylsulfanyl)- 1- (5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)propan- 1- amine
Smiles: CSCC[C@@H](c1nnc(o1)SC/C=C/c1ccccc1)N

STK592007
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (4- nitrophenoxy)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)[N+](=O)[O-]

STK592008
Synonyms: {5- [(2E)- 3- (3,4- dimethoxyphenyl)- 1- (oxo- kappaO)prop- 2- en- 1- yl]- 6- (hydroxy- kappaO)- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dionato}(difluoro)boron
Smiles: COc1ccc(cc1OC)/C=C/C1=[O+][B-](F)(F)Oc2c1c(=O)n(C)c(=O)n2C