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

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STK594926
Synonyms: 2- [(3R,3'S,3a'S,6a'R)- 5'- (3- chloro- 4- fluorophenyl)- 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)c1ccc(c(c1)Cl)F)C(=O)Nc1c2cccc1

STK594929
Synonyms: 6- chloro- N- [(2Z)- 5- [(2- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)/N=c\1/[nH]nc(s1)SCc1ccccc1F

STK594930
Synonyms: 4- ({(E)- [4- (pentyloxy)phenyl]methylidene}amino)- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK594931
Synonyms: 3- (4- chlorobenzyl)- 2- methylpyrimido[1,2- a]benzimidazol- 4- ol
Smiles: Clc1ccc(cc1)Cc1c(C)nc2n(c1O)c1ccccc1n2

STK594934
Synonyms: (3a'R,8b'S)- 2'- (butan- 2- yl)- 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: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2Cl)C

STK594935
Synonyms: 2- [(2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)(ethyl)amino]ethanol
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N(CCO)CC

STK594936
Synonyms: N- benzyl- 6,8- dibromo- 2,4- dihydroxyquinoline- 3- carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCc1ccccc1

STK594937
Synonyms: 7- (2,4- dichlorobenzyl)- 8- {[4- (2- hydroxyethyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCN1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C

STK594938
Synonyms: (3S,3a'R,8a'S,8b'S)- 5- ethyl- 2'- (naphthalen- 2- yl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK594940
Synonyms: 6- chloro- 7- hydroxy- 8- ({[2- (2- methoxyphenyl)ethyl]amino}methyl)- 4- propyl- 2H- chromen- 2- one
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2CNCCc1ccccc1OC)O

STK594941
Synonyms: 1- (4- ethoxyphenyl)- N- [(2Z)- 6- (methylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]- 4- oxo- 1,4- dihydropyridazine- 3- carboxamide
Smiles: CCOc1ccc(cc1)n1ccc(=O)c(n1)C(=O)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK594942
Synonyms: (3- fluorophenyl)(7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)methanone
Smiles: Fc1cccc(c1)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK594943
Synonyms: N- [(2E)- 3- benzyl- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=C\1/SC2C(N1Cc1ccccc1)CS(=O)(=O)C2

STK594945
Synonyms: methyl4- [(E)- {[3- (4- chlorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccc(cc1)Cl

STK594946
Synonyms: 3- [(ethylsulfanyl)methyl]- 6- (4- methoxyphenyl)[1,2,4]triazolo[3,4- a]phthalazine
Smiles: CCSCc1nnc2n1nc(c1ccc(cc1)OC)c1c2cccc1

STK594947
Synonyms: 2- {4- [(2- bromophenyl)sulfonyl]piperazin- 1- yl}- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1Br

STK594951
Synonyms: 5- ethoxy- N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]- 1H- indole- 2- carbohydrazide
Smiles: CCOc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1cccc(c1O)OC

STK594952
Synonyms: 4- (2- fluorophenyl)- 5- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccccc1n1c(=S)[nH]nc1C12CC3CC(C2)CC(C1)C3

STK594953
Synonyms: N- (2- methoxy- 5- methylphenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccccc1)c1cnccn1)C

STK594956
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- ({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C)C

STK594957
Synonyms: 1- (4- ethoxyphenyl)- 3- {4- hydroxy- 6- [(pyrimidin- 2- ylsulfanyl)methyl]pyrimidin- 2- yl}guanidine
Smiles: CCOc1ccc(cc1)NC(=N)Nc1nc(O)cc(n1)CSc1ncccn1

STK594958
Synonyms: N- (2- chlorophenyl)- 1- (4- ethylphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1Cl)cc3c1ccc(cc1)C

STK594959
Synonyms: (3Z)- 3- (4- hydroxy- 2- oxo- 1,3- thiazol- 5(2H)- ylidene)- 1- pentyl- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCCCCN1c2ccccc2/C(=C\2/SC(=O)N=C2O)/C1=O

STK594960
Synonyms: N'- (8- benzyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1)C

STK594961
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- (furan- 2- ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C

STK594963
Synonyms: 2- [10- (4- hydroxyphenyl)- 2,6,8- trioxo- 3,4a,5,5a,6,8,8a,9,9a,10- decahydro- 5,9- methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3- f]isoindol- 7(2H)- yl]propanoicacid
Smiles: OC(=O)C(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)O)sc(=O)[nH]1)C

STK594964
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)N(CC)CC)nnc1COc1ccccc1

STK594965
Synonyms: (3R,3'S,5'R)- 5'- (2- amino- 2- oxoethyl)- 5- bromo- N- (2,5- dimethoxyphenyl)- 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(Br)cc1)CC(=O)N)OC

STK594966
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[4- (4- ethoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(CC)C)nnc1c1cccc(c1)C

STK594967
Synonyms: 4- (2,4- dichlorophenyl)- 1- (4- methylphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)CC(C2=C1COC2=O)c1ccc(cc1Cl)Cl

STK594968
Synonyms: (3S,3'S,3a'R,6a'S)- 5- fluoro- 3'- (propan- 2- yl)- 5'- (prop- 2- en- 1- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2C(C)C)C(=O)Nc2c1cc(F)cc2

STK594969
Synonyms: {2- [(E)- {2- [(3- hydroxy- 5- methyl- 4H- pyrazol- 4- yl)acetyl]hydrazinylidene}methyl]phenoxy}aceticacid
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccccc1OCC(=O)O

STK594970
Synonyms: N- (2- chlorophenyl)- 4- (3,4- dichlorophenyl)- 1- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c(C(=O)Nc2ccccc2Cl)n2c3c1CCCCn3c(c2)c1ccc(c(c1)Cl)Cl

STK594972
Synonyms: (1S)- 1- {5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}- 3- methylbutan- 1- amine
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)F)N)C

STK594973
Synonyms: N- [(2Z)- 5,5- dioxido- 3- (2- phenylethyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C/1\SC2C(N1CCc1ccccc1)CS(=O)(=O)C2

STK594974
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C(C)(C)C)CSc1nnc(n1c1ccccc1)c1ccccn1

STK594977
Synonyms: 2- (3,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK594979
Synonyms: 5- (2- fluorophenyl)- 4- {[(E)- (4- propoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK594982
Synonyms: 1- (4- hydroxyphenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)O)c(=O)c1c(o2)cccc1

STK594985
Synonyms: 5,7- dichloro- 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)c(Cl)cc(c1)Cl

STK594988
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 5- (3- phenyl- 1H- pyrazol- 5- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCO2)c1[nH]nc(c1)c1ccccc1

STK594989
Synonyms: ethyl(8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetate
Smiles: CCOC(=O)Cn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C

STK594990
Synonyms: (2E)- 1- (6- bromo- 2- hydroxy- 4- phenylquinolin- 3- yl)- 3- (quinoxalin- 6- yl)prop- 2- en- 1- one
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)C(=O)/C=C/c1ccc2c(c1)nccn2

STK594991
Synonyms: (3a'S,6a'R)- 7- chloro- 5'- (2- methoxyethyl)- 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: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cccc2Cl

STK594992
Synonyms: 1- (4- ethoxy- 3- methoxyphenyl)- 7- fluoro- 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)F

STK594993
Synonyms: 3- {[(E)- (2- fluorophenyl)methylidene]amino}- 2- hydroxy- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/c1ccccc1F)O

STK594994
Synonyms: 5,11- dimethyl- N- [2- (morpholin- 4- yl)ethyl]- 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)sc2c1C(C)CCC2)NCCN1CCOCC1

STK594998
Synonyms: 2- [(2- fluorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2F)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK594999
Synonyms: N- (3,5- dimethoxyphenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2c2ccc(cc2)C)COc2ccc(cc2)C)cc(c1)OC

STK595001
Synonyms: N- [(1- methyl- 1H- benzimidazol- 2- yl)methyl]- 1,1- diphenylmethanamine
Smiles: Cn1c(CNC(c2ccccc2)c2ccccc2)nc2c1cccc2

STK595002
Synonyms: ethyl4- ({(E)- [2- (3,4- dimethylphenyl)- 1,3- dioxo- 2,3- dihydroisoquinolin- 4(1H)- ylidene]methyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(c(c1)C)C

STK595004
Synonyms: N- [1- ethyl- 4- oxo- 3- (thiophen- 2- yl)- 1,4- dihydroquinolin- 2- yl]thiophene- 2- carboxamide
Smiles: CCn1c(NC(=O)c2cccs2)c(c2cccs2)c(=O)c2c1cccc2

STK595005
Synonyms: 7- (propan- 2- yl)- 14H- thiochromeno[2',3':4,5]pyrimido[1,6- a]benzimidazol- 14- one
Smiles: CC(c1nc2sc3ccccc3c(=O)c2c2n1c1ccccc1n2)C

STK595007
Synonyms: 4- [(4- oxoquinazolin- 3(4H)- yl)methyl]- N- [3- (trifluoromethyl)phenyl]cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1cnc2c(c1=O)cccc2)Nc1cccc(c1)C(F)(F)F

STK595008
Synonyms: 3- (4- chlorophenyl)- 5- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 2,6- dihydroxypyrimidin- 4(3H)- one
Smiles: COc1cc(/C=C/C(=O)c2c(O)nc(n(c2=O)c2ccc(cc2)Cl)O)ccc1OC

STK595009
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (2,5- dimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(c(c1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1)OC

STK595010
Synonyms: 3- (1H- benzimidazol- 1- yl)- N- (pyridin- 2- ylmethyl)propanamide
Smiles: O=C(CCn1cnc2c1cccc2)NCc1ccccn1

STK595011
Synonyms: (5E)- 6- hydroxy- 3- (4- methylphenyl)- 5- [(2- phenyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/C1=O)O

STK595012
Synonyms: N- (3- chlorophenyl)- 2- ({4- (4- chlorophenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccc(cc1)C

STK595013
Synonyms: 2- (2- chlorobenzyl)- 1- (pyridin- 4- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1ccccc1CN1C(=O)c2c(C1c1ccncc1)c(=O)c1c(o2)cccc1

STK595015
Synonyms: 9- (4- chlorophenyl)- 6- methyl- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: Clc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK595016
Synonyms: (2Z)- 1- (8- bromo- 2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)ethanone
Smiles: O=C(c1cc(Br)c2c(c1)OCCO2)/C=C/1\NCCc2c1cc1OCOc1c2

STK595019
Synonyms: (3a'S,6a'R)- 7- chloro- 5'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 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: O=C1N(c2ccc3c(c2)OCCO3)C(=O)[C@@H]2[C@H]1C(Cc1c[nH]c3c1cccc3)NC12C(=O)Nc2c1cccc2Cl

STK595020
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- yl6- {[(4- methylphenyl)sulfonyl]amino}hexanoate
Smiles: O=C(Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)CCCCCNS(=O)(=O)c1ccc(cc1)C

STK595022
Synonyms: 7- (furan- 2- yl)- 5- hydroxy- 2- methyl- N- (pyridin- 2- yl)- 4- (thiophen- 2- yl)- 4,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: CC1=C(C(=O)Nc2ccccn2)C(C2=C(CC(CC2=N1)c1ccco1)O)c1cccs1

STK595023
Synonyms: 4- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- ium- 1- yl]methyl}- 7- methyl- 2- oxo- 2H- chromen- 5- olate
Smiles: Cc1cc([O-])c2c(c1)oc(=O)cc2C[NH+]1CCN(CC1)Cc1ccc2c(c1)OCO2

STK595024
Synonyms: 2- (furan- 2- yl)- 3- hexyl- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCCCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccco1

STK595026
Synonyms: (1S)- 1- [5- (ethylsulfanyl)- 1,3,4- oxadiazol- 2- yl]- 3- methylbutan- 1- amine
Smiles: CCSc1nnc(o1)[C@H](CC(C)C)N

STK595027
Synonyms: 4- (4- chlorophenyl)- 3- [(4- methylbenzyl)sulfanyl]- 5- (3- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK595028
Synonyms: ethyl[7- hydroxy- 3- (2- methoxyphenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 5- yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(c(n2)C)c1ccccc1OC

STK595029
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(c(c1)Cl)OC

STK595031
Synonyms: 1- {[5- (4- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 3,3- dimethylbutan- 2- one
Smiles: C=CCn1c(SCC(=O)C(C)(C)C)nnc1c1ccc(cc1)Cl

STK595032
Synonyms: (1'S,2'S,3R,3a'R)- 2'- (1,3- benzodioxol- 5- ylcarbonyl)- 1'- (2,2- dimethylpropanoyl)- 7'- methyl- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2

STK595033
Synonyms: 4- {[(E)- biphenyl- 4- ylmethylidene]amino}- 5- (2- bromophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1

STK595035
Synonyms: N- [4- ({(E)- [1- (4- fluorophenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)S

STK595036
Synonyms: 5- {[(2Z)- 3- (3- chlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1)Cl)CS(=O)(=O)C2

STK595037
Synonyms: 6- (3,4- dichlorophenyl)- 2- methyl- 7- (pyridin- 3- yl)- 7,12- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Cc1ccc2c(c1)C1=C(C(O2)c2ccc(c(c2)Cl)Cl)C(n2c(N1)ncn2)c1cccnc1

STK595038
Synonyms: N- (4- fluorobenzyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)acetamide
Smiles: O=C(CN1CCc2c(C1)cc1c(c2)OCCCO1)NCc1ccc(cc1)F

STK595039
Synonyms: 8- (3- methoxyphenyl)- 1- methyl- 3- (2- phenylethyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCc1ccccc1

STK595042
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [2- chloro- 5- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK595044
Synonyms: (4E)- 4- {[(2- hydroxyphenyl)amino]methylidene}- 2- (6- methylpyridin- 2- yl)isoquinoline- 1,3(2H,4H)- dione
Smiles: Cc1cccc(n1)N1C(=O)/C(=C/Nc2ccccc2O)/c2c(C1=O)cccc2

STK595045
Synonyms: 2- [3- (4- fluorophenyl)- 5,9- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl]- N- (2- methoxyethyl)acetamide
Smiles: COCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)F

STK595046
Synonyms: (5E)- 6- hydroxy- 3- (2- methylphenyl)- 5- [1- (morpholin- 4- ylamino)ethylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(\NN2CCOCC2)/C)/C(=O)N1c1ccccc1C

STK595047
Synonyms: 8- (3- chlorophenyl)- 1,7- dimethyl- 3- [2- (piperidin- 1- yl)ethyl]- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK595048
Synonyms: 2- [(6- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl)oxy]- N- (pyridin- 4- ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c1c2CCC1)C)NCc1ccncc1

STK595049
Synonyms: ethyl(8- {[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetate
Smiles: CCOC(=O)Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK595050
Synonyms: 4- fluoro- N- (2- methylpropyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(cc1)F)Cc1cc2ccccc2[nH]c1=O)C

STK595051
Synonyms: (2'S,3S,3'S,10b'R)- 2'- (1- benzofuran- 2- ylcarbonyl)- 3'- [(2- chlorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Clc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cc4c(o1)cccc4)C(=O)Nc1c2cccc1)cccc3

STK595053
Synonyms: 5- cyclopropyl- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2n[nH]c(c2)C2CC2)cc(c1OC)OC

STK595057
Synonyms: N'- {(Z)- [2- hydroxy- 1- (4- methoxyphenyl)- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)OC)O

STK595058
Synonyms: (4- {(3aR,4R,4aR,7aS,8R,8aR)- 5,7- dioxo- 6- [3- (trifluoromethyl)phenyl]- 4,4a,5,6,7,7a,8,8a- octahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 3- yl}phenoxy)acetonitrile
Smiles: N#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK595059
Synonyms: (1'R,2'R)- 1'- [(4- chlorophenyl)carbonyl]- 2'- (4- methylphenyl)- 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)c2ccc(cc2)Cl)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK595060
Synonyms: 2- [(3- benzyl- 4,7- dimethyl- 2- oxo- 2H- chromen- 5- yl)oxy]- N- (2- methoxyethyl)propanamide
Smiles: COCCNC(=O)C(Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)C

STK595061
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- bromophenyl)- 7- ethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Br

STK595062
Synonyms: 9- methyl- 2- [4- (2- methylpropoxy)phenyl]- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC(COc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C)C

STK595064
Synonyms: (2'S,3S,3'S,10b'R)- 2'- (furan- 2- ylcarbonyl)- 3'- [(3- nitrophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3)c1cccc(c1)[N+](=O)[O-]

STK595065
Synonyms: N- [4- (4- chlorophenyl)- 6- methyl- 2- (4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1c(c2ccc(cc2)Cl)c(=O)c(nn1c1ccc(cc1)C)C

STK595066
Synonyms: (2S)- N- (4- chlorobenzyl)- 2- (1- methyl- 2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)- 3- phenylpropanamide
Smiles: Clc1ccc(cc1)CNC(=O)[C@@H](n1c(=O)c2ccccc2n(c1=O)C)Cc1ccccc1

STK595067
Synonyms: N'- {(E)- [1- (2- methylphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1C)S

STK595068
Synonyms: 7- ethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- [3- (propan- 2- yloxy)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccc(c1)OC(C)C)c1noc(c1)C

STK595069
Synonyms: (3S,3'R,3a'R,6a'S)- 5- bromo- 5'- tert- butyl- 3'- [(4- chlorophenyl)(hydroxy)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: Clc1ccc(cc1)[C@H]([C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(Br)cc1)O

STK595071
Synonyms: [10- (4- methoxyphenyl)- 6,8- dioxo- 2- thioxo- 3,4a,5,5a,6,8,8a,9,9a,10- decahydro- 5,9- methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3- f]isoindol- 7(2H)- yl]aceticacid
Smiles: COc1ccc(cc1)C1C2C(Sc3c1sc(=S)[nH]3)C1CC2C2C1C(=O)N(C2=O)CC(=O)O

STK595072
Synonyms: 3- (5- {(E)- [1- (2- fluorobenzyl)- 2- hydroxy- 5- oxo- 1,5- dihydro- 4H- imidazol- 4- ylidene]methyl}furan- 2- yl)- 2- methylbenzoicacid
Smiles: OC1=N/C(=C/c2ccc(o2)c2cccc(c2C)C(=O)O)/C(=O)N1Cc1ccccc1F

STK595073
Synonyms: 2- [(4- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]- N- (pyridin- 2- ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)C)NCc1ccccn1

STK595074
Synonyms: (E)- 1- (4- methoxyphenyl)- N- {[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]pyrimidin- 2- yl]methoxy}methanimine
Smiles: COc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccc(cc1)C)c(C)nn2c1ccccc1

STK595077
Synonyms: 8- benzyl- 4- hydroxy- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: O=c1nc(O)c2c(n1C)nc1n2c(C)c(n1Cc1ccccc1)C

STK595079
Synonyms: 7,7- dimethyl- 2- phenyl- 4- {[2- (piperidin- 1- yl)ethyl]sulfanyl}- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CC1(C)OCc2c(C1)nc(nc2SCCN1CCCCC1)c1ccccc1

STK595081
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- chlorophenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1COc1ccc(cc1)Cl

STK595082
Synonyms: 9- (2- methylphenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1C

STK595083
Synonyms: (Z)- N- {[11- (4- chlorophenyl)- 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: Clc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)CO/N=C\c1ccccc1)c1ccccc1

STK595084
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- bromo- 2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK595085
Synonyms: methyl4- [2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 3,9- dioxo- 1,2,3,9- tetrahydrochromeno[2,3- c]pyrrol- 1- yl]benzoate
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)cccc1

STK595086
Synonyms: (3a'S,6a'R)- 5'- 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)CCCC)C(=O)Nc1c2cc(F)cc1

STK595089
Synonyms: 3- methyl- 4- (4- methylphenyl)- 1- [2- (trifluoromethyl)phenyl]- 1,4- dihydropyrazolo[3',4':4,5]pyrimido[2,1- b][1,3]benzothiazole
Smiles: Cc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1s2)c1ccccc1C(F)(F)F

STK595091
Synonyms: (3a'S,6a'R)- 5'- butyl- 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: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2

STK595094
Synonyms: 2- (3- bromophenyl)- 10- methyl- 3- propylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccc(c1)Br

STK595095
Synonyms: 1- [2- (9- methoxy- 6H- indolo[2,3- b]quinoxalin- 6- yl)ethyl]- 5- methyl- 1H- indole- 2,3- dione
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1c2ccc(cc2C(=O)C1=O)C

STK595096
Synonyms: 8- amino- 1',3,3'- trimethyl- 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)C(=O)N(C)C(=O)N(C1=O)C

STK595097
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(4- methoxy- 3- nitrophenyl)methanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(c(c1)[N+](=O)[O-])OC

STK595098
Synonyms: 3- (3,4- dichlorobenzyl)- 10- methyl- 6- propyl- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(c(c1)Cl)Cl

STK595100
Synonyms: 1- (4- ethoxyphenyl)- N- (2- methoxyphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1OC)cc3c1ccc(cc1)C

STK595102
Synonyms: 4- methyl- 2- (methylsulfonyl)- 6- (propan- 2- yl)quinazoline
Smiles: CC(c1ccc2c(c1)c(C)nc(n2)S(=O)(=O)C)C

STK595104
Synonyms: 4- [4- (4,6- dimethylpyrimidin- 2- yl)piperazin- 1- yl]- 5- phenylthieno[2,3- d]pyrimidine
Smiles: Cc1cc(C)nc(n1)N1CCN(CC1)c1ncnc2c1c(cs2)c1ccccc1

STK595105
Synonyms: dicyclohexyl[(2- methoxyphenyl)(phenylamino)methyl]phosphonate
Smiles: COc1ccccc1C(P(=O)(OC1CCCCC1)OC1CCCCC1)Nc1ccccc1

STK595107
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 6- tert- butyl- 3- [(E)- 2- phenylethenyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1C(C)(C)C)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2/C=C/c1ccccc1

STK595108
Synonyms: N- (4- chloro- 2- methylphenyl)- 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK595109
Synonyms: 7- [2- (1H- benzimidazol- 2- ylsulfanyl)ethyl]- 8- (4- benzylpiperazin- 1- yl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c([nH]1)cccc2)N1CCN(CC1)Cc1ccccc1)O

STK595110
Synonyms: N- (4- chloro- 2- methoxy- 5- methylphenyl)- 2- {[5- (4- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Cl)C

STK595111
Synonyms: (3S,3'R,3a'R,6a'S)- 5'- butyl- 3'- [(4- chlorophenyl)(hydroxy)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)[C@@]1(N[C@H]2[C@@H](c2ccc(cc2)Cl)O)C(=O)Nc2c1cccc2

STK595112
Synonyms: 1,3- dimethyl- 7- (4- methylbenzyl)- 8- [(4- phenylpiperazin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK595113
Synonyms: 2- (4,6- dimethylpyrimidin- 2- yl)- 4- hydroxy- 6- {[(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Cc1nnc(s1)SCc1cc(O)c2c(n1)[nH]n(c2=O)c1nc(C)cc(n1)C

STK595114
Synonyms: 2- (3- chlorophenyl)- 5- (2- methoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1ccccc1C1Oc2ccccc2C2N1N=C(C2)c1cccc(c1)Cl

STK595115
Synonyms: 3- [(4- methylbenzyl)sulfanyl]- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Cc1ccc(cc1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK595116
Synonyms: (3'E)- 3'- [1- benzofuran- 2- yl(hydroxy)methylidene]- 1- methyl- 1'- (tetrahydrofuran- 2- ylmethyl)spiro[indole- 3,2'- pyrrolidine]- 2,4',5'(1H)- trione
Smiles: O=C1C(=O)/C(=C(\c2cc3c(o2)cccc3)/O)/C2(N1CC1CCCO1)c1ccccc1N(C2=O)C

STK595117
Synonyms: (2S)- 2- (4- oxoquinazolin- 3(4H)- yl)- N- [4- (trifluoromethyl)phenyl]propanamide
Smiles: O=C([C@@H](n1cnc2c(c1=O)cccc2)C)Nc1ccc(cc1)C(F)(F)F

STK595118
Synonyms: N'- [(E)- (7- chloro- 2,3- dihydro[1,4]dioxino[2,3- g]quinolin- 8- yl)methylidene]pyridine- 4- carbohydrazide
Smiles: Clc1nc2cc3OCCOc3cc2cc1/C=N/NC(=O)c1ccncc1

STK595120
Synonyms: N- butyl- 5- methyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CCCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCC2

STK595121
Synonyms: 8- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- methylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(Cn1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C)C

STK595122
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1)C

STK595123
Synonyms: N- (3- chlorophenyl)- 1- (3,4- dimethylphenyl)- 4- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1n2cc(n3c2c(c1c1ccc(c(c1)C)C)CCCC3)c1ccccc1

STK595124
Synonyms: (1Z)- 1- {[(2- fluorophenyl)sulfonyl]methylidene}- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccccc1F

STK595127
Synonyms: 5- [3- (6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)- 5- (4- fluorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)F)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK595128
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cc(C)ccc1C

STK595129
Synonyms: methylN- [(3,4- dimethylphenyl)carbamoyl]- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccc(c(c1)C)C

STK595130
Synonyms: 2- [4- (6- ethyl- 2- methylthieno[2,3- d]pyrimidin- 4- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1nc(C)nc2c1cc(s2)CC

STK595132
Synonyms: 9- (2- chlorophenyl)- 6- (3,4- dimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1OC)C1CC(=C2C(=Nc3n(C2c2ccccc2Cl)ncn3)C1)O

STK595135
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [3,5- bis(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK595139
Synonyms: (5E)- 5- ({[3- (furan- 2- yl)- 3- (4- methylphenyl)propyl]amino}methylidene)- 1- (prop- 2- en- 1- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCN1C(=NC(=O)/C(=C\NCCC(c2ccco2)c2ccc(cc2)C)/C1=O)S

STK595140
Synonyms: 4- {[(E)- biphenyl- 4- ylmethylidene]amino}- 5- (3- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1

STK595141
Synonyms: 2- (ethylsulfanyl)- 6,6- dimethyl- 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)CC(C1)(C)C)C2c1ccccc1[N+](=O)[O-]

STK595142
Synonyms: (4E)- 5- (3- chlorophenyl)- 4- [hydroxy(phenyl)methylidene]- 1- [5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1cccc(c1)Cl

STK595146
Synonyms: 3- {[5- tert- butyl- 3- (4- chlorophenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 7- yl]sulfanyl}pentane- 2,4- dione
Smiles: CC(=O)C(C(=O)C)Sc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C

STK595147
Synonyms: 1- (3- chlorophenyl)- 3- [N- (2,5- dimethoxyphenyl)- N'- (4,6- dimethylpyrimidin- 2- yl)carbamimidoyl]urea
Smiles: COc1ccc(c(c1)N/C(=N\c1nc(C)cc(n1)C)/NC(=O)Nc1cccc(c1)Cl)OC

STK595148
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1COc1ccccc1

STK595149
Synonyms: N- [(3Z)- 1- butyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- nitrobenzenesulfonamide
Smiles: CCCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/c2c1nc1ccccc1c2

STK595151
Synonyms: (4Z)- 6- {[4- (3- methoxyphenyl)piperazin- 1- yl]methyl}- 4- [(4- methylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1cccc(c1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2)C)/[nH]1

STK595153
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[4- (4- methylphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK595154
Synonyms: 2,2,5- trimethyl- N- (tetrahydrofuran- 2- ylmethyl)- 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)ncnc3NCC1CCCO1

STK595156
Synonyms: 8- [(dibenzylamino)methyl]- 6- hydroxy- 3- methyl- 7- (2- oxopropyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(O)nc(=O)n2C

STK595158
Synonyms: 8- [(4- benzylpiperidin- 1- yl)methyl]- 7- (3- hydroxypropyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK595159
Synonyms: (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)[2- (thiophen- 2- yl)quinolin- 4- yl]methanone
Smiles: COc1cc2CCN(C(c2cc1OC)C)C(=O)c1cc(nc2c1cccc2)c1cccs1

STK595162
Synonyms: 2- [(7- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 9- yl)oxy]- N- (pyridin- 2- ylmethyl)propanamide
Smiles: O=C(C(Oc1cc(C)cc2c1c1CCCc1c(=O)o2)C)NCc1ccccn1

STK595163
Synonyms: N- (2- chlorophenyl)- 1- (4- chlorophenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1Cl)c1ccc(cc1)Cl

STK595164
Synonyms: methylN- [(3- methylphenyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cccc(c1)C)C

STK595165
Synonyms: (5Z)- 5- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1- (4- ethoxyphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O)S

STK595167
Synonyms: 4- hydroxy- 1,6,7- trimethyl- 8- (4- phenoxyphenyl)- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Oc1nc(=O)n(c2c1n1c(n2)n(c(c1C)C)c1ccc(cc1)Oc1ccccc1)C

STK595168
Synonyms: 1- methyl- 9- (2- phenylethyl)- 3- [(2E)- 3- phenylprop- 2- en- 1- yl]- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: O=c1n(C)c2nc3n(c2c(=O)n1C/C=C/c1ccccc1)CCCN3CCc1ccccc1

STK595169
Synonyms: 3- {(Z)- [3- (butan- 2- yl)- 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: CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2F)/C1=O)C

STK595170
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1)C

STK595171
Synonyms: N- [2- methyl- 5- (6- methyl[1,2,4]triazolo[3,4- a]phthalazin- 3- yl)benzyl]acetamide
Smiles: CC(=O)NCc1cc(ccc1C)c1nnc2n1nc(C)c1c2cccc1

STK595172
Synonyms: 3- [(3a'S,6a'R)- 5- chloro- 5'- (2- chlorobenzyl)- 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)Cc1ccccc1Cl)C(=O)Nc1c2cc(Cl)cc1

STK595173
Synonyms: 2- ethyl- 3- methyl- 1- [(2E)- 2- (quinoxalin- 2- ylmethylidene)hydrazinyl]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cnc3c(n1)cccc3)c1ccccc1n2

STK595174
Synonyms: 9- (4- fluorophenyl)- 6- (3,4,5- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1c(OC)cc(cc1OC)C1CC(=C2C(=Nc3n(C2c2ccc(cc2)F)ncn3)C1)O

STK595175
Synonyms: 2',6'- dihydroxy- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',7- dione
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2

STK595176
Synonyms: 1'- benzyl- 2'- hydroxy- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: OC1=NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2

STK595177
Synonyms: (3S,3a'R,8a'S,8b'S)- 7- chloro- 2'- (2,4- dimethylphenyl)- 5- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2Cl

STK595178
Synonyms: (4E)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 1- (6- methoxy- 1,3- benzothiazol- 2- yl)- 5- (4- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK595181
Synonyms: 4- {[(E)- (2,3- dimethoxyphenyl)methylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1c(cccc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK595182
Synonyms: 5- (2,5- dimethoxyphenyl)- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: COc1ccc(c(c1)c1[nH]nc(c1)C(=O)N/N=C/c1ccc(c(c1)OC)OC)OC

STK595183
Synonyms: N- [6- chloro- 3- (4- fluorophenyl)- 4- oxo- 4H- chromen- 2- yl]thiophene- 2- carboxamide
Smiles: Fc1ccc(cc1)c1c(NC(=O)c2cccs2)oc2c(c1=O)cc(cc2)Cl

STK595184
Synonyms: 3- [(4- methoxybenzyl)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#Cc1c(Nc2ccc(cc2)C)n2c(SCc3ccc(cc3)OC)nnc2c2c1CC(C)(C)OC2

STK595186
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 2- methyl[1]benzofuro[3,2- d]pyrimidine
Smiles: Cc1nc(N2CCN(CC2)Cc2ccccc2)c2c(n1)c1ccccc1o2

STK595187
Synonyms: (6E)- 6- [(3- chloro- 2- methylphenyl)imino]- 4- (3- methyl- 1- benzofuran- 2- yl)- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1[nH]/c(=N\c2cccc(c2C)Cl)/nc(n1)c1oc2c(c1C)cccc2

STK595188
Synonyms: 2- methyl- 3- (4- methylphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Cc1ccc(cc1)n1c(C)nc2c(c1=O)c(=O)c1c(o2)cccc1

STK595189
Synonyms: N- (2,4- difluorophenyl)- 6- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)hexanamide
Smiles: O=C(Nc1ccc(cc1F)F)CCCCCn1nnc2c(c1=O)cccc2

STK595192
Synonyms: 3- [(4- chlorophenoxy)methyl]- 5- [(2,5- dimethylbenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1cc(C)ccc1C)COc1ccc(cc1)Cl

STK595193
Synonyms: 4- (4- methoxyphenyl)- N- (4- methylphenyl)- 1- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccc(cc1)C)c1ccccc1

STK595194
Synonyms: (1Z,2E)- 1- {2- (4- ethoxyphenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}- 3- phenylprop- 2- en- 1- olate
Smiles: CCOc1ccc(cc1)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK595195
Synonyms: methyl4,5- dimethoxy- 2- {[2- (4- oxoquinazolin- 3(4H)- yl)butanoyl]amino}benzoate
Smiles: COC(=O)c1cc(OC)c(cc1NC(=O)C(n1cnc2c(c1=O)cccc2)CC)OC

STK595196
Synonyms: 9- (3- fluorophenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cccc(c1)F

STK595197
Synonyms: 5- (4- chlorophenyl)- 4- (2- fluorophenyl)- 3- phenyl- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Clc1ccc(cc1)N1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1ccccc1

STK595198
Synonyms: 7- (4- fluorobenzyl)- 6- hydroxy- 8- [(2E)- 2- (4- methoxybenzylidene)hydrazinyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)F)c(O)nc(=O)n2C

STK595199
Synonyms: (4E)- 5- (4- fluorophenyl)- 4- [hydroxy(thiophen- 2- yl)methylidene]- 1- [5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1ccc(cc1)F

STK595201
Synonyms: 1- (4- bromophenyl)- N- (2- methylphenyl)- 4- oxo- 2- [4- (propan- 2- yl)phenyl]azetidine- 2- carboxamide
Smiles: Brc1ccc(cc1)N1C(=O)CC1(c1ccc(cc1)C(C)C)C(=O)Nc1ccccc1C

STK595202
Synonyms: 2- (2- {[4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C

STK595203
Synonyms: (3S,3a'R,8a'S,8b'S)- 5- chloro- 2'- (2,5- dichlorophenyl)- 7- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Clc1ccc(c(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Cl)cc2C)Cl

STK595204
Synonyms: 4- fluoro- N- [5- hydroxy- 2- (phenoxymethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)COc1ccccc1

STK595205
Synonyms: 8- [benzyl(methyl)amino]- 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1cccc(c1)OCC(Cn1c(nc2c1c(O)nc(=O)n2C)N(Cc1ccccc1)C)O

STK595206
Synonyms: N- (4- ethoxyphenyl)- N'- (3- methyl- 1- phenyl- 1H- pyrazol- 5- yl)quinoxaline- 2,3- diamine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2nc1Nc1cc(nn1c1ccccc1)C

STK595207
Synonyms: N- (2,4- dichlorophenyl)- 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Cl)Cl)nnc1COc1ccc(cc1)C

STK595208
Synonyms: methyl4- ({[(2S)- 1- methoxy- 1- oxopropan- 2- yl]carbamoyl}amino)benzoate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)OC)C

STK595209
Synonyms: 2- [3- (furan- 2- ylmethyl)- 2,4- dioxo- 3,4,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl]- N- phenylacetamide
Smiles: O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c1sc1c2CCCCC1)Nc1ccccc1

STK595211
Synonyms: 9- [4- (dimethylamino)phenyl]- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)N(C)C)C1=C(O)CCCC1=N2

STK595212
Synonyms: 4- (1,4- dioxa- 8- azoniaspiro[4.5]dec- 8- ylmethyl)- 6- ethyl- 2- oxo- 2H- chromen- 7- olate
Smiles: CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCC2(CC1)OCCO2

STK595213
Synonyms: (3a'S,6a'R)- 5'- 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: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(Cl)cc2

STK595214
Synonyms: 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1- (4- methoxyphenyl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK595215
Synonyms: N- (4- butylphenyl)- 2- {[4- methyl- 5- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)C

STK595217
Synonyms: 3- [(3a'S,6a'R)- 5- chloro- 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]propanamide
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Cl)cc2

STK595218
Synonyms: 2- chloro- N- [1- methyl- 4- oxo- 3- (3,4,5- trimethoxyphenyl)- 1,4- dihydroquinolin- 2- yl]benzamide
Smiles: COc1cc(cc(c1OC)OC)c1c(NC(=O)c2ccccc2Cl)n(C)c2c(c1=O)cccc2

STK595219
Synonyms: 4- chloro- N- (2- methoxyphenyl)- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2cccc(c2[nH]c1=O)C

STK595220
Synonyms: (1Z,2E)- 1- {2- [4- (dimethylamino)phenyl]- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}- 3- phenylprop- 2- en- 1- olate
Smiles: CN(c1ccc(cc1)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)C

STK595222
Synonyms: 6- ethyl- 2- methyl- 4- (3- methylphenyl)pyridazino[3',4':4,5]pyrimido[1,6- a]benzimidazol- 1(4H)- one
Smiles: CCc1nc2n(nc(c(=O)c2c2n1c1ccccc1n2)C)c1cccc(c1)C

STK595226
Synonyms: 2- ethyl- N- [(2E)- 3- (3- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]butanamide
Smiles: CCC(C(=O)/N=C\1/SC2C(N1Cc1cccc(c1)OC)CS(=O)(=O)C2)CC

STK595227
Synonyms: 7'- {(Z)- [4- hydroxy- 1- (2- methoxyphenyl)- 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(1H,3H)- trio
Smiles: COc1ccccc1N1C(=O)N=C(/C(=C/c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK595233
Synonyms: 2- chloro- 4- {(Z)- [2- (4- chloro- 3- nitrophenyl)- 5- oxo- 1,3- oxazol- 4(5H)- ylidene]methyl}- 6- methoxyphenylacetate
Smiles: COc1cc(/C=C/2\N=C(OC2=O)c2ccc(c(c2)[N+](=O)[O-])Cl)cc(c1OC(=O)C)Cl

STK595234
Synonyms: (3S,3a'R,8a'S,8b'S)- 7- chloro- 2'- [2- chloro- 5- (trifluoromethyl)phenyl]- 5- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(Cl)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1Cl)C(F)(F)F

STK595237
Synonyms: (4E)- 5- (4- hydroxy- 3- methoxyphenyl)- 4- [(2E)- 1- hydroxy- 3- phenylprop- 2- en- 1- ylidene]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: COc1cc(ccc1O)C1N(c2cccc(c2)C(F)(F)F)C(=O)C(=O)/C/1=C(\C=C\c1ccccc1)/O

STK595238
Synonyms: 2- (3,5- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- [2- (3- fluorophenyl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NCCc1cccc(c1)F

STK595239
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- 1- phenylethanone
Smiles: COc1ccc(cc1)c1nc(SCC(=O)c2ccccc2)c2c(n1)CC(OC2)(C)C

STK595240
Synonyms: N- butyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: CCCCN(S(=O)(=O)c1ccccc1)Cc1cc2ccccc2[nH]c1=O

STK595241
Synonyms: N- (4- chlorophenyl)- 1- (4- ethylphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)Cl)cc3c1ccc(cc1)C

STK595242
Synonyms: 8,8- dimethyl- 3- [(4- nitrobenzyl)sulfanyl]- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCc3ccc(cc3)[N+](=O)[O-])nnc2c2c1CC(C)(C)OC2

STK595245
Synonyms: N- (4- butylphenyl)- 2- {[4- ethyl- 5- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C

STK595246
Synonyms: N- (3- acetylphenyl)- 2- (1,3- benzothiazol- 2- yl)pyridine- 3- carboxamide
Smiles: O=C(c1cccnc1c1nc2c(s1)cccc2)Nc1cccc(c1)C(=O)C

STK595248
Synonyms: (4Z)- 4- (3- bromo- 4- nitrobenzylidene)- 2- (2- fluorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1ccc(c(c1)Br)[N+](=O)[O-])c1ccccc1F

STK595249
Synonyms: 4- ({(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}amino)- 5- (2- bromophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK595250
Synonyms: 3- [(3a'S,6a'R)- 5'- (2- chlorobenzyl)- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cccc1C

STK595251
Synonyms: N- (5- chloro- 2,4- dimethoxyphenyl)- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)Nc1cc(Cl)c(cc1OC)OC

STK595252
Synonyms: 3- (2- fluorobenzyl)- 1,7- dimethyl- 8- phenyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Fc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1)C

STK595253
Synonyms: 2- {[3- cyano- 5- hydroxy- 4- (4- hydroxy- 3- methoxyphenyl)- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2C)N=C2C(=C(O)CCC2)C1c1ccc(c(c1)OC)O

STK595254
Synonyms: 2- ethyl- 3- methyl- 1- [(2E)- 2- (quinoxalin- 5- ylmethylidene)hydrazinyl]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cccc3c1nccn3)c1ccccc1n2

STK595260
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(4- chlorophenyl)carbonyl]- 3'- [(3- nitrophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK595261
Synonyms: 1',3',4- trimethyl- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)CN(C)c1c(C2)c2ccccc2cc1

STK595262
Synonyms: 2- {[4- (prop- 2- en- 1- yl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- sulfamoylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1Cc1cccs1

STK595263
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [4- chloro- 2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1C(F)(F)F)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK595264
Synonyms: 3- [(4- bromobenzyl)oxy]- 1- hydroxy- 5- methyl- 9H- xanthen- 9- one
Smiles: Brc1ccc(cc1)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK595265
Synonyms: N'- [(E)- (4- ethoxyphenyl)methylidene]- 4,5- dimethoxy- 1H- indole- 2- carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)ccc(c2OC)OC

STK595266
Synonyms: N,4- di- tert- butyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(C)(C)C)C(=O)c1ccc(cc1)C(C)(C)C

STK595268
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (3- chlorophenyl)- 7- ethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)Cl

STK595269
Synonyms: 2- (4- phenylpiperazin- 1- yl)- 5,6,7,8- tetrahydroquinazolin- 4- ol
Smiles: Oc1nc(nc2c1CCCC2)N1CCN(CC1)c1ccccc1

STK595270
Synonyms: 5- fluoro- N- methyl- N- (1- methylpiperidin- 4- yl)- 1H- indole- 2- carboxamide
Smiles: CN1CCC(CC1)N(C(=O)c1cc2c([nH]1)ccc(c2)F)C

STK595271
Synonyms: 2- [(5Z)- 5- benzylidene- 2,4- dioxo- 1,3- thiazolidin- 3- yl]- N- (1,1- dioxidotetrahydrothiophen- 3- yl)acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2)/C1=O)NC1CCS(=O)(=O)C1

STK595273
Synonyms: 4- [2,6,8- trioxo- 10- (thiophen- 2- yl)- 3,4a,5,5a,6,8,8a,9,9a,10- decahydro- 5,9- methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3- f]isoindol- 7(2H)- yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccs2)sc(=O)[nH]1

STK595274
Synonyms: (5Z)- 5- (furan- 2- ylmethylidene)- 3- {3- oxo- 3- [2- (pyridin- 3- yl)piperidin- 1- yl]propyl}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccco2)/C(=O)N1CCC(=O)N1CCCCC1c1cccnc1

STK595275
Synonyms: (6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)[4- (trifluoromethoxy)phenyl]methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)c1ccc(cc1)OC(F)(F)F

STK595276
Synonyms: 5- (4- chlorophenyl)- 3- (2- hydroxyphenyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: OC(=O)C1NC(C2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1O

STK595277
Synonyms: ethyl2- {(3E)- 2- [3- ethoxy- 4- (pentyloxy)phenyl]- 3- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC

STK595278
Synonyms: (2E)- 3- (2,5- dichlorophenyl)- 2- (4- hydroxyquinazolin- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Cl)ccc1Cl)/c1nc(O)c2c(n1)cccc2

STK595279
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK595280
Synonyms: 2- {[3- cyano- 5- hydroxy- 4- (thiophen- 2- yl)- 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)CCC2)C1c1cccs1

STK595283
Synonyms: 1- (4- ethoxyphenyl)- 4- (4- methoxyphenyl)- N- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1)cc3c1ccc(cc1)OC

STK595284
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 6- methyl- 5- (naphthalen- 1- ylmethyl)pyrimidin- 4- ol
Smiles: Cc1nc(nc(c1Cc1cccc2c1cccc2)O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK595285
Synonyms: N- (2,6- dimethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2C)nnc1COc1ccccc1

STK595286
Synonyms: 3- (2- methyl- 1H- benzimidazol- 1- yl)- N- [3- (2- oxopyrrolidin- 1- yl)propyl]propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCCCN1CCCC1=O

STK595288
Synonyms: (3R,3'S,3a'S,6a'R)- 3'- benzyl- 6- chloro- 5'- cyclohexyl- 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: O=C1N(C2CCCCC2)C(=O)[C@@H]2[C@H]1[C@H](Cc1ccccc1)N[C@@]12C(=O)Nc2c1ccc(c2C)Cl

STK595289
Synonyms: 2- [(3R,3'S,3a'S,6a'R)- 5'- (3,4- dichlorophenyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)C[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)Cl)C(=O)Nc1c2cccc1

STK595291
Synonyms: N- (4- butylphenyl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CN1CCc2c(C1)cc(c(c2)OC)OC

STK595292
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 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)c1cc([nH]n1)c1ccc(cc1)Cl)C

STK595293
Synonyms: 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(C1)cc1c(c2)OCCCO1

STK595294
Synonyms: 1- (phenylcarbonyl)- N- [3- (1H- tetrazol- 1- yl)phenyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)c1ccccc1)Nc1cccc(c1)n1cnnn1

STK595295
Synonyms: 4- {[(E)- (3,4- dichlorophenyl)methylidene]amino}- 5- (3- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK595296
Synonyms: N- (3- methoxypropyl)- 2,3- dihydro- 1H- cyclopenta[b]quinoline- 9- carboxamide
Smiles: COCCCNC(=O)c1c2CCCc2nc2c1cccc2

STK595298
Synonyms: 1- (2- fluorophenyl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cccc1

STK595300
Synonyms: 6- chloro- 3- [(Z)- (4- hydroxy- 2- thioxo- 1,3- thiazol- 5(2H)- ylidene)methyl]- 4H- chromen- 4- one
Smiles: OC1=NC(=S)S/C/1=C\c1coc2c(c1=O)cc(cc2)Cl

STK595301
Synonyms: 4- {[({5- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetyl]amino}benzamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)N)nnc1COc1ccc(cc1)Cl

STK595302
Synonyms: methyl4- methoxy- 3- [(5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)methyl]benzoate
Smiles: COC(=O)c1ccc(c(c1)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2)OC

STK595303
Synonyms: 2,2- dimethyl- 5- propyl- N- (pyridin- 4- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1ccncc1

STK595306
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [4- (benzyloxy)phenyl]acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)OCc1ccccc1

STK595308
Synonyms: 4- (4- hydroxy- 3- methoxyphenyl)- 1- [3- (trifluoromethyl)phenyl]- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1cc(ccc1O)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)C(F)(F)F

STK595310
Synonyms: (4Z)- 4- (4- chlorobenzylidene)- 2- (2- chlorophenyl)- 4H- imidazol- 5- ol
Smiles: Clc1ccc(cc1)/C=C/1\N=C(N=C1O)c1ccccc1Cl

STK595311
Synonyms: N- (3,5- dichlorophenyl)- 2- {[5- (2- fluorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK595314
Synonyms: 3- [(3R,3'S,3a'S,6a'R)- 5'- (naphthalen- 2- yl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C(=O)Nc1c2cccc1

STK595315
Synonyms: 7- (3- chlorophenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1cccc(c1)n1ncc2c1ncn1c2nnc1

STK595316
Synonyms: 9- (5- methyl- 1,2- oxazol- 3- yl)- 8- (3- propoxyphenyl)- 8,9- dihydrobenzo[7,8]chromeno[2,3- c]pyrrole- 7,10- dione
Smiles: CCCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK595318
Synonyms: 5- [3- (6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)- 5- (2- chlorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccccc1Cl)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK595319
Synonyms: 4- (3- chlorophenyl)- 8- methyl- 1- thioxo- 2,4,6,7,8,9- hexahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(1H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(=S)[nH]n2)c1cccc(c1)Cl

STK595320
Synonyms: 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1- (pyridin- 4- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(=O)c2c(C1c1ccncc1)c(=O)c1c(o2)cccc1

STK595321
Synonyms: 2- [(5Z)- 5- benzylidene- 2,4- dioxo- 1,3- thiazolidin- 3- yl]- N- [2- hydroxy- 2- (4- hydroxyphenyl)ethyl]- N- methylacetamide
Smiles: Oc1ccc(cc1)C(CN(C(=O)CN1C(=O)S/C(=C\c2ccccc2)/C1=O)C)O

STK595323
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- (2- fluorophenyl)pyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1ccccc1F)c1ccccc1F

STK595325
Synonyms: 5- (2- bromophenyl)- 4- {[(E)- (3,4- dichlorophenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK595326
Synonyms: 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 3- [4- (methoxycarbonyl)phenoxy]- 4- oxo- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)Oc1ccc(cc1)C(=O)OC

STK595328
Synonyms: 7- (2,3- dimethylphenyl)- 3- (4- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: O=C1CC2(C(=O)N1c1cccc(c1C)C)ON=C(C2)c1ccc(cc1)[N+](=O)[O-]

STK595329
Synonyms: N- [(2S)- 1- (1,3- benzodioxol- 5- ylamino)- 3- methyl- 1- oxobutan- 2- yl]- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)C(C)C

STK595330
Synonyms: 7- hydrazinyl- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: NNc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK595332
Synonyms: 8- (3- chlorophenyl)- 2- (4- fluorophenyl)- 10- methyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Fc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1cccc(c1)Cl

STK595334
Synonyms: 4- tert- butyl- N- [3- (1H- tetrazol- 1- yl)phenyl]benzamide
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1)n1cnnn1

STK595335
Synonyms: (3a'S,6a'R)- 5- chloro- 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)Nc2c1cc(Cl)cc2C

STK595336
Synonyms: 3- ethyl- 10- fluoro- 1',3'- dimethyl- 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: CCN1CCN2C(C1)C1(Cc3c2c(F)ccc3)C(=O)N(C)C(=O)N(C1=O)C

STK595338
Synonyms: 1- (2,4- dichlorophenyl)- 3- [N'- (4,6- dimethylpyrimidin- 2- yl)- N- (2- methylphenyl)carbamimidoyl]urea
Smiles: O=C(Nc1ccc(cc1Cl)Cl)N/C(=N\c1nc(C)cc(n1)C)/Nc1ccccc1C

STK595340
Synonyms: 1- (3,4- dimethoxyphenyl)- 7- fluoro- 2- (6- methylpyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1OC)C1N(c2cccc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK595342
Synonyms: 3- butyl- 1- methyl- 8- (2- methylphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1C

STK595343
Synonyms: ethyl4- (4- hydroxy- 1- methyl- 2- oxo- 1,2,6,7- tetrahydro- 8H- imidazo[2,1- f]purin- 8- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(O)nc(=O)n1C

STK595344
Synonyms: 8- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1C)c(=O)n(c(=O)n2C)C

STK595345
Synonyms: 1'- cyclohexyl- 2'- hydroxy- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: OC1=NC(=O)C2(C(=O)N1C1CCCCC1)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2

STK595346
Synonyms: 2',6'- dihydroxy- 8- nitro- 3- (pyridin- 2- yl)- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccccn1)[N+](=O)[O-]

STK595347
Synonyms: (3R,3'S,5'R)- 5'- (2- amino- 2- oxoethyl)- 5- chloro- N- (4- methoxyphenyl)- 7- methyl- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(Cl)cc1C)CC(=O)N

STK595349
Synonyms: N- (4- fluorophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)F)nnc1COc1ccccc1

STK595350
Synonyms: 2- (4,6- dimethylpyrimidin- 2- yl)- 4- hydroxy- 6- {[(4- methylphenyl)sulfanyl]methyl}- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Cc1ccc(cc1)SCc1cc(O)c2c(n1)[nH]n(c2=O)c1nc(C)cc(n1)C

STK595351
Synonyms: N- [(2Z)- 3- (1,3- benzodioxol- 5- yl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3- methylbutanamide
Smiles: CC(CC(=O)/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2)C

STK595353
Synonyms: N- {(2S)- 1- [(3,4- dimethoxybenzyl)amino]- 3- methyl- 1- oxobutan- 2- yl}- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: COc1cc(CNC(=O)[C@H](C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)ccc1OC

STK595354
Synonyms: N- {(1Z)- 1- [1- cyano- 2- oxo- 2- (phenylamino)ethylidene]- 1H- isoindol- 3- yl}- 4- methylbenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C)/C(=O)Nc1ccccc1

STK595355
Synonyms: ethyl6'- amino- 1- (2- chlorobenzyl)- 5'- cyano- 2'- methyl- 2- oxo- 1,2- dihydrospiro[indole- 3,4'- pyran]- 3'- carboxylate
Smiles: CCOC(=O)C1=C(C)OC(=C(C21c1ccccc1N(C2=O)Cc1ccccc1Cl)C#N)N

STK595356
Synonyms: (8S,8aR,11aS)- 10- benzyl- 8- [(2,5- dimethoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(c(c1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)Cc1ccccc1)OC

STK595357
Synonyms: N- [(2E)- 3- (2- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/SC2C(N1c1ccccc1F)CS(=O)(=O)C2

STK595358
Synonyms: N- [2- (7- methoxy- 6- {(E)- [2- (pyridin- 4- ylcarbonyl)hydrazinylidene]methyl}- 1,3- benzodioxol- 5- yl)ethyl]- N- methylpropanamide
Smiles: CCC(=O)N(CCc1cc2OCOc2c(c1/C=N/NC(=O)c1ccncc1)OC)C

STK595359
Synonyms: 2- [3- (4- chlorophenyl)- 7- ethyl- 2,4- dioxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 1(2H)- yl]acetamide
Smiles: CCN1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CC(=O)N)c1ccc(cc1)Cl

STK595361
Synonyms: 2- (4- fluorophenyl)- N- [2- (1H- imidazol- 5- yl)ethyl]acetamide
Smiles: O=C(Cc1ccc(cc1)F)NCCc1[nH]cnc1

STK595363
Synonyms: 5- (2- fluorophenyl)- 4- {[(E)- (2- methoxynaphthalen- 1- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc2c(c1/C=N/n1c(=S)[nH]nc1c1ccccc1F)cccc2

STK595364
Synonyms: N- (2- bromo- 4,6- difluorophenyl)- 2- {[5- (3- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2c(F)cc(cc2Br)F)nnc1c1cccc(c1)Cl

STK595366
Synonyms: (4E)- 5- (2- chlorophenyl)- 1- [2- (2- hydroxyethoxy)ethyl]- 4- [hydroxy(3- nitrophenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C1c1ccccc1Cl

STK595367
Synonyms: 8- (4- chlorophenyl)- 11- (4- methoxyphenyl)- 10- methyl- 2- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1cccnc1)c1ccc(cc1)Cl

STK595368
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(3,4- dimethoxyphenyl)carbonyl]- 3'- (pyridin- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1cc(ccc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccccn2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK595369
Synonyms: 1- [3- (4- chlorophenyl)- 4- phenylbutyl]pyrrolidine
Smiles: Clc1ccc(cc1)C(Cc1ccccc1)CCN1CCCC1

STK595370
Synonyms: N- (4- acetylphenyl)- 3- (7- methoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)propanamide
Smiles: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)Nc1ccc(cc1)C(=O)C

STK595372
Synonyms: 8- [(4- methylphenyl)sulfonyl]- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

STK595373
Synonyms: 4- {[(E)- (4- ethoxyphenyl)methylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK595376
Synonyms: 3- [(8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)amino]propan- 1- ol
Smiles: OCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK595377
Synonyms: 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 1- (2- methoxyphenyl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccccc1C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK595378
Synonyms: 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 7- hexyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK595379
Synonyms: 1- benzyl- 2- [(4- methylpiperazin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: CN1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK595381
Synonyms: methyl[(2- methyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CCCC3

STK595382
Synonyms: (3a'S,6a'R)- 5'- tert- butyl- 7- methyl- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1C)C

STK595383
Synonyms: (4E)- 4- [(3- chlorophenyl)imino]- 6- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc(N)n/c(=N/c2cccc(c2)Cl)/[nH]1

STK595384
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- ethyl- 6- methylphenyl)acetamide
Smiles: CCc1cccc(c1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl)C

STK595385
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1cc(O)n2c(n1)nc(n2)SCc1ccccc1Cl

STK595386
Synonyms: 2- [(1,3- benzoxazol- 2- ylsulfanyl)methyl]- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)CSc1nc2c(o1)cccc2)c1ccccc1

STK595387
Synonyms: (1'R,2'S)- 7'- chloro- 2'- (2- chlorophenyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Clc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccccc2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1ccccc1Cl

STK595388
Synonyms: (3a'S,6a'R)- 3'- (1- hydroxyethyl)- 5'- (3- methoxypropyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cccc2

STK595389
Synonyms: 8- (3- chlorophenyl)- 10- methyl- 2- [(4- methylphenoxy)methyl]- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1cccc(c1)Cl

STK595393
Synonyms: tert- butyl[(1S)- 1- {5- [(3- chlorobenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethyl]carbamate
Smiles: Clc1cccc(c1)CS(=O)(=O)c1nnc(o1)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1

STK595395
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[methyl(phenyl)amino]methyl}- N'- [(1E)- 1- (4- nitrophenyl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK595396
Synonyms: (4E)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 5- (4- methoxyphenyl)- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OC)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK595397
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)thiophene- 2- carboxamide
Smiles: CC(CN(C(=O)c1cccs1)Cc1cc2cccc(c2[nH]c1=O)C)C

STK595398
Synonyms: 2,2,7',9',9'- pentamethyl- 3'- nitro- 6a',7',8',9',10',11'- hexahydro- 5'H- spiro[1,3- dioxane- 5,6'- [7,11]methanoazepino[1,2- a]quinoline]- 4,6- dione
Smiles: [O-][N+](=O)c1ccc2c(c1)CC1(C3N2C2CC(CC3(C2)C)(C)C)C(=O)OC(OC1=O)(C)C

STK595400
Synonyms: 4- (3,5- dimethylphenoxy)- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2cc(C)cc(c2)C)c2c(n1)cccc2)C

STK595401
Synonyms: 2- {[2- (methylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(SC)nc2c1c1CCCc1s2

STK595402
Synonyms: N- (4- butylphenyl)- 2- {[5- (4- tert- butylphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)CCCC)nnc1c1ccc(cc1)C(C)(C)C

STK595403
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [4- chloro- 2- (trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1C(F)(F)F)Cl

STK595404
Synonyms: 2- (benzylsulfanyl)- 9- (4- methoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK595405
Synonyms: 1'- butyl- 3- (4- chlorophenyl)- 6- hydroxy- 6'- nitro- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCCC1N(CCCC)c2ccc(cc2CC21C(=NC(=O)N(C2=O)c1ccc(cc1)Cl)O)[N+](=O)[O-]

STK595408
Synonyms: (5E)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 5- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(o1)c1cccc(c1)C(F)(F)F)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK595409
Synonyms: (E)- {2- (4- bromophenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(4- fluorophenyl)methanolate
Smiles: Brc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)F)/[O-]

STK595412
Synonyms: N- [(2E)- 3- (1,3- benzodioxol- 5- yl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methylbutanamide
Smiles: CCC(C(=O)/N=C\1/SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2)C

STK595413
Synonyms: N- [1- (1H- benzimidazol- 2- yl)- 3- methyl- 1H- pyrazol- 5- yl]- 2,4- difluorobenzamide
Smiles: Fc1ccc(c(c1)F)C(=O)Nc1cc(nn1c1nc2c([nH]1)cccc2)C

STK595414
Synonyms: methyl2- amino- 4- (2,3- dichlorophenyl)- 6- (hydroxymethyl)- 8- oxo- 4,8- dihydropyrano[3,2- b]pyran- 3- carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1cccc(c1Cl)Cl)oc(cc2=O)CO

STK595415
Synonyms: N,N- diethyl- N'- (2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)propane- 1,3- diamine
Smiles: CCN(CCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)CC

STK595416
Synonyms: (2E)- 3- (5- bromofuran- 2- yl)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)prop- 2- en- 1- one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)/C=C/c1ccc(o1)Br

STK595417
Synonyms: N- (4- fluorobenzyl)- 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)NCc1ccc(cc1)F

STK595418
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)[2- (thiophen- 2- yl)quinolin- 4- yl]methanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(nc2c1cccc2)c1cccs1

STK595420
Synonyms: 3'- (2,3- dimethylphenyl)- 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)c1cccc(c1C)C)O)[N+](=O)[O-]

STK595422
Synonyms: 1- [2- (dimethylamino)ethyl]- 3- (4- fluorophenyl)- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: CN(CCn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)F)CCCCC3)C

STK595423
Synonyms: methylN- {[4- (propan- 2- yl)phenyl]carbamoyl}- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccc(cc1)C(C)C)C

STK595424
Synonyms: 3- (1H- benzimidazol- 2- yl)- N- benzyl- N- methylpropanamide
Smiles: O=C(N(Cc1ccccc1)C)CCc1nc2c([nH]1)cccc2

STK595426
Synonyms: 5- [4- (3- chlorophenyl)piperazin- 1- yl]- 2- (2- nitrophenyl)- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1cccc(c1)Cl)c1ccccc1[N+](=O)[O-]

STK595427
Synonyms: ethyl2- ({(E)- [2- (2,4- dimethylphenyl)- 1,3- dioxo- 2,3- dihydroisoquinolin- 4(1H)- ylidene]methyl}amino)- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(N/C=C/2\c3ccccc3C(=O)N(C2=O)c2ccc(cc2C)C)sc(c1C)C

STK595428
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (naphthalen- 2- yl)ethanone
Smiles: O=C(c1ccc2c(c1)cccc2)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK595430
Synonyms: N- (2- fluorophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)nnc1c1cccc(c1)C

STK595431
Synonyms: 4- ({(2'S,3S,3'S,10b'R)- 2'- [(2,5- dimethoxyphenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl}carbonyl)phenylacetate
Smiles: COc1ccc(c(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)OC

STK595433
Synonyms: 2- {[10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccccc1C)nn2)CC(OC3)(C)C

STK595435
Synonyms: 7- (4- methoxyphenyl)- 3- (3- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: COc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK595436
Synonyms: (5E)- 1- (3- chlorophenyl)- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)Cl)S

STK595439
Synonyms: (5E)- 1- ethyl- 5- [(2- phenyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=NC(=O)/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/C1=O)S

STK595441
Synonyms: 8- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK595443
Synonyms: N- (5- chloro- 2- methylphenyl)- 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)Nc2cc(Cl)ccc2C)nnc1COc1ccc(cc1)Cl

STK595445
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK595446
Synonyms: 2- ethyl- 3- (4- methoxybenzyl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCc1nc2c(c(=O)n1Cc1ccc(cc1)OC)c(=O)c1c(n2C)cccc1

STK595449
Synonyms: N- [3- (dimethylamino)propyl]- 11- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CN(CCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1C(C)CCC2)C

STK595450
Synonyms: N- [5- (4- chlorophenyl)- 7- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]butanamide
Smiles: CCCC(=O)Nc1nn2c(=NC(=CC2c2ccccc2)c2ccc(cc2)Cl)[nH]1

STK595451
Synonyms: 4- [(2E)- 2- (2,4,5- trimethoxybenzylidene)hydrazinyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: COc1cc(OC)c(cc1/C=N/Nc1ncnc2c1c1CCCCc1s2)OC

STK595452
Synonyms: 3- [(2- chloro- 6- fluorobenzyl)sulfanyl]- 4- ethyl- 5- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: CCn1c(SCc2c(F)cccc2Cl)nnc1c1ccc(cc1)C

STK595453
Synonyms: 1'- benzyl- 2'- hydroxy- 12- methyl- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: OC1=NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C

STK595454
Synonyms: 7- butyl- 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C

STK595456
Synonyms: 8- hydrazinyl- 6- hydroxy- 7- (2- hydroxy- 2- phenylethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: NNc1nc2c(n1CC(c1ccccc1)O)c(O)nc(=O)n2C

STK595457
Synonyms: 3- (4- methoxyphenyl)- 2- {[2- (morpholin- 4- yl)ethyl]amino}- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(cc1)n1c(NCCN2CCOCC2)nc2c(c1=O)c1CCCCCc1s2

STK595458
Synonyms: 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazol- 1- yl(4,5,6- trimethoxy- 1H- indol- 2- yl)methanone
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N1CCn2c1nc1c2cccc1

STK595459
Synonyms: (8S,8aR,11aS)- 10- (3,5- dichlorophenyl)- 8- [(2,5- dimethoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)cccc3)OC

STK595460
Synonyms: 9- phenyl- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: C=CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1

STK595461
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- hydroxyphenyl)pyrrolidine- 2,3- dione
Smiles: Oc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK595463
Synonyms: 4- {[(E)- (2- hydroxynaphthalen- 1- yl)methylidene]amino}- 5- (pyridin- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1/N=C/c1c(O)ccc2c1cccc2)c1cccnc1

STK595464
Synonyms: 4- {(Z)- [2- (2- bromophenyl)- 5- oxo- 1,3- oxazol- 4(5H)- ylidene]methyl}- 2- chloro- 6- methoxyphenylacetate
Smiles: COc1cc(/C=C/2\N=C(OC2=O)c2ccccc2Br)cc(c1OC(=O)C)Cl

STK595465
Synonyms: 2- ({5- thioxo- 4- [2- (trifluoromethyl)phenyl]- 4,5- dihydro- 1H- 1,2,4- triazol- 3- yl}methyl)phthalazin- 1(2H)- one
Smiles: S=c1[nH]nc(n1c1ccccc1C(F)(F)F)Cn1ncc2c(c1=O)cccc2

STK595467
Synonyms: 7- (4- acetylphenyl)- 3- (3- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: O=C1CC2(C(=O)N1c1ccc(cc1)C(=O)C)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK595468
Synonyms: 4- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- ylN- [(4- methylphenyl)sulfonyl]norleucinate
Smiles: CCCCC(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)NS(=O)(=O)c1ccc(cc1)C

STK595469
Synonyms: 1'- benzyl- 3,9- dimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[benzo[g]pyrido[1,2- a][1,8]naphthyridine- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CC1CCN2C(C1)C1(Cc3c2nc2ccc(cc2c3)C)C(=O)NC(=O)N(C1=O)Cc1ccccc1

STK595471
Synonyms: 2- [(2E)- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)hydrazinylidene]- 2,3- dihydro- 1H- benzimidazole
Smiles: FC(c1cccc(c1)c1ccc(o1)/C=N/N=c/1\[nH]c2c([nH]1)cccc2)(F)F

STK595472
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- phenylacetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccccc1

STK595473
Synonyms: 2- (1H- benzimidazol- 2- ylsulfanyl)- N- (2,5- diethoxyphenyl)acetamide
Smiles: CCOc1ccc(c(c1)NC(=O)CSc1nc2c([nH]1)cccc2)OCC

STK595476
Synonyms: 3- (3- bromophenyl)- N- (1- methoxypropan- 2- yl)- 4,5- dihydro- 1,2- oxazole- 5- carboxamide
Smiles: COCC(NC(=O)C1ON=C(C1)c1cccc(c1)Br)C

STK595477
Synonyms: 1- (3- ethoxyphenyl)- 7- methyl- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK595478
Synonyms: 1- (4- ethoxyphenyl)- 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK595479
Synonyms: 3- [3- (4- benzylpiperazin- 1- yl)- 3- oxopropyl]- 1,2,3- benzotriazin- 4(3H)- one
Smiles: O=C(N1CCN(CC1)Cc1ccccc1)CCn1nnc2c(c1=O)cccc2

STK595480
Synonyms: 1- {[7- (2- amino- 2- oxoethyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperidine- 4- carboxamide
Smiles: NC(=O)Cn1c(CN2CCC(CC2)C(=O)N)nc2c1c(=O)n(c(=O)n2C)C

STK595481
Synonyms: 7- (4- chlorophenoxy)- 6- ethyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(Oc2ccc(cc2)Cl)nc2n(c1=O)CCS2

STK595482
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 1- (furan- 2- ylmethyl)- 5- (2- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccccc1C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1Cc1ccco1

STK595484
Synonyms: 6- cyclohexyl- 2- hydroxy- 1- (3- methylphenyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1cccc(c1)n1c(O)nc(=O)c2c1NCN(C2)C1CCCCC1

STK595485
Synonyms: 4- {[(E)- (3- methylphenyl)methylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C)C

STK595486
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK595487
Synonyms: 2- (3,4- dimethoxyphenyl)- 5H- imidazo[2,1- a]isoindole
Smiles: COc1cc(ccc1OC)c1cn2c(n1)c1c(C2)cccc1

STK595491
Synonyms: N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methoxyphenyl)- 4- methylbenzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1OC

STK595492
Synonyms: 1- [2- (morpholin- 4- yl)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: O=c1n(CCc2ccccc2)c(=O)c2c(n1CCN1CCOCC1)sc1c2CCCCC1

STK595493
Synonyms: N- {[(3S)- 2- (tert- butoxycarbonyl)- 1,2,3,4- tetrahydroisoquinolin- 3- yl]carbonyl}glycine
Smiles: OC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK595494
Synonyms: N- (4- bromo- 3- methylphenyl)- 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK595495
Synonyms: 5- (4- ethoxyphenyl)- 4- {[(E)- (4- propoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)OCC

STK595496
Synonyms: N'- [(1E)- 1- (furan- 2- yl)ethylidene]- 4,5- dihydro- 2H- benzo[g]indazole- 3- carbohydrazide
Smiles: C/C(=N\NC(=O)c1[nH]nc2c1CCc1c2cccc1)/c1ccco1

STK595498
Synonyms: (3a'S,6a'R)- 5'- [2- (3,4- dimethoxyphenyl)ethyl]- 5- fluoro- 3'- (1- hydroxyethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3C(O)C)C(=O)Nc3c2cc(F)cc3)ccc1OC

STK595499
Synonyms: 2- {[8,8- dimethyl- 11- (morpholin- 4- yl)- 7,10- dihydro- 8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK595501
Synonyms: 5- {[1- (2- hydroxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2ccccc2O)C)C(=O)N1C

STK595503
Synonyms: 5- [3- (propan- 2- yloxy)phenyl]- 4- {[(E)- (3,4,5- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1c(OC)cc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK595505
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(3- methoxyphenyl)carbonyl]- 3'- [(3- nitrophenyl)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)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK595507
Synonyms: 10- (4- hydroxy- 3,5- dimethoxyphenyl)- 1,3- dimethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1cc(cc(c1O)OC)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK595509
Synonyms: 3- (3- methoxypropyl)- 2- (2- methylphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccccc1C

STK595510
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(4- methylbenzyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]- 4- nitrobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)NCc1ccc(cc1)C

STK595511
Synonyms: 7- bromo- 2- (4- methylpyridin- 2- yl)- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1)c1nccc(c1)C

STK595512
Synonyms: (2E)- 3- (3,5- dichloro- 4- hydroxyphenyl)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)Cl)O)/c1scc(n1)c1ccc(c(c1)OC)OC

STK595513
Synonyms: 2- {[5- (4- tert- butylphenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dimethoxyphenyl)acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2c2ccccc2)c2ccc(cc2)C(C)(C)C)cc(c1)OC

STK595514
Synonyms: 5- (2- chlorophenyl)- 4- {[(E)- (2- methoxynaphthalen- 1- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc2c(c1/C=N/n1c(=S)[nH]nc1c1ccccc1Cl)cccc2

STK595515
Synonyms: 4- {[(E)- (3- chlorophenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK595516
Synonyms: 12- (furan- 2- yl)- 3- phenyl- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccco2)c2ccccc2n3)CC(C1)c1ccccc1

STK595517
Synonyms: (4Z)- 6- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 4- [(4- methylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1ccccc1F

STK595518
Synonyms: 7- (3,4- dichlorobenzyl)- 1,3- dimethyl- 8- (piperidin- 1- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1Cl)Cn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C

STK595520
Synonyms: 4- [(2E)- 2- {[5- (2,5- dichlorophenyl)furan- 2- yl]methylidene}hydrazinyl]benzoicacid
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=N/Nc1ccc(cc1)C(=O)O)Cl

STK595521
Synonyms: S- benzyl- N- [3- (5- methyl- 7- oxo- 3- phenyl- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]- D- cysteine
Smiles: O=C(N[C@@H](C(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1

STK595522
Synonyms: 10- methyl- 2- (4- nitrophenyl)- 3- propylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)[N+](=O)[O-]

STK595523
Synonyms: 4- {[(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK595527
Synonyms: N- [4- (dimethylamino)phenyl]- 2- {[4- methyl- 5- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)N(C)C)CSc1nnc(n1C)c1ccc(cc1)C

STK595528
Synonyms: 4- bromo- N- [(3E)- 1- ethyl- 7- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)Br)/c2c1nc1cc(C)ccc1c2

STK595530
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- [hydroxy(thiophen- 2- yl)methylidene]- 1- [5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1ccccc1F

STK595533
Synonyms: (3a'S,6a'R)- 3'- benzyl- 5- chloro- 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(NC2Cc2ccccc2)C(=O)Nc2c1cc(Cl)cc2

STK595534
Synonyms: 11- (4- butylphenyl)- 2- methyl- 3- (3- methylbutyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CCC(C)C

STK595535
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)OC

STK595536
Synonyms: 7- (3- chlorophenyl)- 3- (3- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1cccc(c1)N1C(=O)CC2(C1=O)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK595537
Synonyms: 2- (ethylsulfanyl)- 6,6- dimethyl- 9- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccccc1

STK595539
Synonyms: 2- {[2- (2- hydroxyethoxy)ethyl]amino}- 3- (2- phenylethyl)- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: OCCOCCNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3

STK595540
Synonyms: 5- (3,4- dimethoxyphenyl)- 4- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)C

STK595541
Synonyms: N- (3,4- difluorophenyl)- 2- {[5- (4- methoxyphenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(c(c1)F)F

STK595543
Synonyms: 2- methyl- 5- {[(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]methyl}[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nn2c(n1)nc(cc2O)CSc1nnnn1c1ccccc1

STK595544
Synonyms: 2- (methylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[d][1,2,4]triazolo[1,5- a]pyrimidin- 8- ol
Smiles: CSc1nc2n(n1)c(O)c1c(n2)CCC1

STK595545
Synonyms: 2- (4- chlorophenyl)- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc(OC)c(c1)OC)c1ccc(cc1)Cl

STK595546
Synonyms: 7- chloro- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- [3- (propan- 2- yloxy)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(Oc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl)C

STK595547
Synonyms: tert- butyl{(2S)- 1- oxo- 1- [(2E)- 2- (quinoxalin- 5- ylmethylidene)hydrazinyl]propan- 2- yl}carbamate(non- preferredname)
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N/N=C/c1cccc2c1nccn2)C

STK595548
Synonyms: N- [3- (4- fluorophenyl)- 4- oxo- 4H- thiochromen- 2- yl]- 2- phenylacetamide
Smiles: O=C(Nc1sc2ccccc2c(=O)c1c1ccc(cc1)F)Cc1ccccc1

STK595549
Synonyms: 2- {[4- ethyl- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)F)nnc1Cc1cccs1

STK595550
Synonyms: (3a'S,6a'R)- 5- bromo- 5'- (butan- 2- yl)- 3'- [2- (methylsulfanyl)ethyl]- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(CC)C)C(=O)Nc1c2cc(Br)cc1

STK595553
Synonyms: 2- {2- amino- 3- [(3- chlorophenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}ethanol
Smiles: OCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1cccc(c1)Cl

STK595554
Synonyms: 6,7- dimethoxy- 3- ({4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}amino)- 2- benzofuran- 1(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1scc(n1)c1ccc(cc1)CC(C)C

STK595556
Synonyms: 1- (2,3- dimethoxyphenyl)- 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccc(c1OC)OC)c(=O)c1c(o2)cccc1

STK595558
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[5- (3- methoxyphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(CC)C)nnc1c1cccc(c1)OC

STK595559
Synonyms: 4- [(2E)- 2- (2,3- dihydro- 1,4- benzodioxin- 6- ylmethylidene)hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1ccc2c(c1)OCCO2

STK595561
Synonyms: 3- (3- chlorophenyl)- 7- methyl- 2- [(pyridin- 3- ylmethyl)amino]- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)NCc1cccnc1)c1cccc(c1)Cl

STK595562
Synonyms: (2Z)- 2- (4- chlorophenyl)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 3- phenylprop- 2- en- 1- one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)/C(=C\c1ccccc1)/c1ccc(cc1)Cl

STK595564
Synonyms: 1,7,8- trimethyl- 3- (naphthalen- 1- ylmethyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: O=c1n(Cc2cccc3c2cccc3)c(=O)c2c(n1C)nc1n2cc(n1C)C

STK595565
Synonyms: N- [3- (2- chlorophenyl)- 1- ethyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1n(CC)c2ccccc2c(=O)c1c1ccccc1Cl

STK595568
Synonyms: (4E)- 1- (furan- 2- ylmethyl)- 4- [hydroxy(3- nitrophenyl)methylidene]- 5- (2- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccccc1[N+](=O)[O-])Cc1ccco1)/c1cccc(c1)[N+](=O)[O-]

STK595569
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 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)c1cccc(c1)C

STK595570
Synonyms: 4- {[(E)- (2- methylphenyl)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/c1ccccc1C

STK595571
Synonyms: N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)- 4- [3- (quinolin- 2- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]benzenesulfonamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)n1c(=S)[nH]nc1c1ccc2c(n1)cccc2

STK595572
Synonyms: (5s,7s)- 2- (3- bromophenyl)- 5- ethyl- 7- methyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1cccc(c1)Br)C

STK595576
Synonyms: (5E)- 2- [4- (4- chlorophenyl)piperazin- 1- yl]- 5- [(5- phenylfuran- 2- yl)methylidene]- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(o2)c2ccccc2)/S1

STK595578
Synonyms: 2- [(3a'S,6a'R)- 5- chloro- 5'- (4- fluorobenzyl)- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cc(Cl)cc1C

STK595580
Synonyms: N- [(2Z)- 3- (3- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: COc1cccc(c1)CN1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK595581
Synonyms: 2- ({6- cyano- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl}sulfanyl)- N- (3- methylphenyl)acetamide
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccc(cc1)C)c(SCC(=O)Nc1cccc(c1)C)nn2

STK595582
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- (3- methylbutoxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C)C

STK595583
Synonyms: quinolin- 8- yl3,6,6- trimethyl- 4- oxo- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxylate
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)Oc1cccc2c1nccc2

STK595585
Synonyms: 3- butyl- 5- [(2E)- 3- (2,4- dimethoxyphenyl)prop- 2- enoyl]- 2,6- dihydroxypyrimidin- 4(3H)- one
Smiles: CCCCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1OC)OC)O

STK595587
Synonyms: (E)- {2- (3- butoxyphenyl)- 1- [2- (dimethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

STK595588
Synonyms: (E)- (4- fluorophenyl){2- (4- hydroxy- 3- methoxyphenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: COc1cc(ccc1O)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)F)/[O-]

STK595589
Synonyms: (8S,8aR,11aS)- N- (4- methoxyphenyl)- 10- (4- methylphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C)cccc3

STK595590
Synonyms: 1- hydroxy- 9- oxo- 9H- xanthen- 3- ylN- [(4- methylphenyl)sulfonyl]- D- leucinate
Smiles: CC(C[C@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)NS(=O)(=O)c1ccc(cc1)C)C

STK595592
Synonyms: (2Z)- 7- {[bis(2- methoxyethyl)ammonio]methyl}- 2- (2,5- dimethoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(OC)ccc1OC)/C2=O)CCOC

STK595593
Synonyms: 4- (3- bromo- 4- ethoxyphenyl)- 3,4,5,6- tetrahydrobenzo[h]quinazolin- 2- ol
Smiles: CCOc1ccc(cc1Br)C1NC(=NC2=C1CCc1c2cccc1)O

STK595594
Synonyms: (4E)- 2- (2,4- dimethylphenyl)- 4- {[(6- methylpyridin- 2- yl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: Cc1cccc(n1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(cc1C)C

STK595595
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl)C

STK595596
Synonyms: 2',6'- dihydroxy- 3- methyl- 8- nitro- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrido[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: CC1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=NC1=O)O)O

STK595597
Synonyms: 4- (4- fluorophenyl)- 5- (quinolin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)n1c(=S)[nH]nc1c1ccc2c(n1)cccc2

STK595599
Synonyms: N- (furan- 2- ylmethyl)- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline- 8(7H)- carbothioamide
Smiles: S=C(N1CCc2c(C1)cc1c(c2)OCCCO1)NCc1ccco1

STK595600
Synonyms: 8- (3,4- dimethylphenyl)- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Cc1ccc(cc1C)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK595601
Synonyms: 10- (2- methoxyphenyl)- 5- (4- methoxyphenyl)- 1,3- dimethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccccc1OC

STK595602
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N,N- dimethylethanamine
Smiles: COc1ccc(cc1)c1nc(SCCN(C)C)c2c(n1)CC(OC2)(C)C

STK595603
Synonyms: 1- (2- cyclohexylethyl)- 2- [(naphthalen- 2- yloxy)methyl]- 1H- benzimidazole
Smiles: C1CCC(CC1)CCn1c(COc2ccc3c(c2)cccc3)nc2c1cccc2

STK595606
Synonyms: (2Z)- 1- (3- chlorophenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanone
Smiles: Clc1cccc(c1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK595607
Synonyms: 1- (2,4- dimethylphenyl)- 3- {4- hydroxy- 6- [(pyridin- 2- ylsulfanyl)methyl]pyrimidin- 2- yl}guanidine
Smiles: Oc1nc(nc(c1)CSc1ccccn1)NC(=N)Nc1ccc(cc1C)C

STK595608
Synonyms: N- (2- tert- butylphenyl)- 2- ({4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1COc1ccc(cc1)C

STK595609
Synonyms: (4E)- 4- {[(3- methylbutyl)amino]methylidene}- 2- (2- nitrophenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: CC(CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1[N+](=O)[O-])C

STK595610
Synonyms: N- [4- (acetylamino)phenyl]- 2- {[5- (2- chlorophenyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nnc1c1ccccc1Cl

STK595612
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1c(Cl)cccc1Cl

STK595613
Synonyms: N- [3- (dimethylamino)propyl]- 5- methoxy- 3- methyl- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NCCCN(C)C

STK595615
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(2,3- dimethylphenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1cccc(c1C)C

STK595618
Synonyms: 2- (3- tert- butyl- 5,9- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NCc1cccnc1

STK595619
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1COc1ccccc1

STK595620
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK595624
Synonyms: (3a'S,6a'R)- 5'- (3- chlorophenyl)- 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)c1cccc(c1)Cl)Cc1ccc(cc1)O)C(=O)N2

STK595625
Synonyms: 8- [(4- benzylpiperidin- 1- yl)methyl]- 7- (3- chlorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1cccc(c1)Cn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK595626
Synonyms: (8S,8aR,11aS)- 10- cyclohexyl- 8- [(2,5- dimethoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(c(c1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)C1CCCCC1)OC

STK595627
Synonyms: N- (2,6- dimethylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2C)nnc1c1ccccn1

STK595629
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (3- chlorophenyl)- 5- ethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)Cl

STK595631
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK595632
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK595633
Synonyms: 4- {[(E)- (3,5- dimethyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1c(OC)cc(cc1OC)c1n[nH]c(=S)n1/N=C/c1c(C)nn(c1C)c1ccccc1

STK595635
Synonyms: 4- (4- ethoxyphenyl)- 3- (4- methoxyphenyl)- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: CCOc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1c1ccc(cc1)OC

STK595636
Synonyms: 1- (4- fluorophenyl)- 6- (3- phenylpropyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Fc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CCCc1ccccc1

STK595638
Synonyms: 7- benzyl- 6,10- dimethyl- 3- [2- (morpholin- 4- yl)ethyl]- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: O=c1oc2c(C)c3OCN(Cc3cc2c(c1Cc1ccccc1)C)CCN1CCOCC1

STK595639
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 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)SCc1ccccc1Cl

STK595648
Synonyms: N- (3- bromophenyl)- 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK595649
Synonyms: (3a'S,6a'R)- 5'- tert- butyl- 5- 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: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)C)C(=O)N2

STK595651
Synonyms: (2E)- 3- (4- chlorophenyl)- 1- (6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)prop- 2- en- 1- one
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)/C=C/c1ccc(cc1)Cl

STK595652
Synonyms: 8- [(2E)- 2- (2,4- dihydroxybenzylidene)hydrazinyl]- 7- (4- fluorobenzyl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2O)O)nc2c1c(O)nc(=O)n2C

STK595653
Synonyms: (4- chloro- 3- {[4- (4- fluorophenyl)piperazin- 1- yl]sulfonyl}phenyl)(6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)F)Cl

STK595654
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK595657
Synonyms: 4- chloro- 5- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]pyridazin- 3- ol
Smiles: Fc1ccc(cc1)/C=N/Nc1cnnc(c1Cl)O

STK595658
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 5- (3- chlorophenyl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]pyrrolidine- 2,3- dione
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK595659
Synonyms: N- [4- ({(E)- [4,6- dioxo- 2- sulfanyl- 1- (3,4,5- trimethoxyphenyl)- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}amino)phenyl]acetamide
Smiles: COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\Nc2ccc(cc2)NC(=O)C)/C1=O)S

STK595660
Synonyms: 4- methoxy- N- [6- methyl- 2,4- bis(4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1c(c2ccc(cc2)C)c(=O)c(nn1c1ccc(cc1)C)C

STK595661
Synonyms: 6- benzyl- 1- phenyl- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Sc1nc(=O)c2c(n1c1ccccc1)NCN(C2)Cc1ccccc1

STK595662
Synonyms: (5- chloro- 1H- indol- 2- yl)[4- (furan- 2- ylcarbonyl)piperazin- 1- yl]methanone
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)N1CCN(CC1)C(=O)c1ccco1

STK595663
Synonyms: N- (3- chloro- 4- fluorophenyl)- 4- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CCCn1cnc2c(c1=O)cccc2

STK595664
Synonyms: N- (2- tert- butylphenyl)- 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C(C)(C)C)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK595665
Synonyms: 9,10- dimethoxy- 3,3- dimethyl- 13- (3- nitrophenyl)- 2,3,4,6,7,13- hexahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3cccc(c3)[N+](=O)[O-])c2cc1OC

STK595666
Synonyms: 2- {[5- (2- chlorophenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1CC)c1ccccc1Cl

STK595670
Synonyms: 3- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 5- [(2- methylbenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1c1cccc(c1)OC)SCc1ccccc1C

STK595671
Synonyms: 6- {[(4- chlorophenyl)sulfanyl]methyl}- 2- [(4,6,8- trimethylquinazolin- 2- yl)amino]pyrimidin- 4- ol
Smiles: Cc1cc(C)c2c(c1)c(C)nc(n2)Nc1nc(CSc2ccc(cc2)Cl)cc(n1)O

STK595673
Synonyms: 2- [7- (2,5- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: Cc1ccc(c(c1)n1ncc2c1ncn1c2nc(n1)c1ccccc1O)C

STK595676
Synonyms: (5E)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]propylidene}- 3- benzyl- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NCc1ccc2c(c1)OCO2

STK595678
Synonyms: 2- chloro- N- [1- methyl- 4- oxo- 3- (pyridin- 2- yl)- 1,4- dihydroquinolin- 2- yl]benzamide
Smiles: Clc1ccccc1C(=O)Nc1c(c2ccccn2)c(=O)c2c(n1C)cccc2

STK595679
Synonyms: 5- tert- butyl- N,3- diphenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(Nc2ccccc2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK595680
Synonyms: 1- {3- [(2- chlorobenzyl)oxy]phenyl}- 7- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccc(c1)OCc1ccccc1Cl)c1noc(c1)C

STK595681
Synonyms: (5s,7s)- 5- methyl- 2- (3- methylphenyl)- 7- phenyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: Cc1cccc(c1)C1N2C[C@@]3(CN1C[C@](C2)(C3=O)c1ccccc1)C

STK595682
Synonyms: 7,7- dimethyl- 2- phenyl- 4- [4- (trifluoromethyl)phenyl]- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinoline- 3,5- diol
Smiles: OC1=C2C(=Nc3c(C2c2ccc(cc2)C(F)(F)F)c(O)n(n3)c2ccccc2)CC(C1)(C)C

STK595683
Synonyms: N'- [(E)- (6- hydroxy[1,3]dioxolo[4,5- g]quinolin- 7- yl)methylidene]pyridine- 4- carbohydrazide
Smiles: Oc1nc2cc3OCOc3cc2cc1/C=N/NC(=O)c1ccncc1

STK595685
Synonyms: N- [(3E)- 1- butyl- 7- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- fluorobenzenesulfonamide
Smiles: CCCCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)F)/c2c1nc1cc(C)ccc1c2

STK595686
Synonyms: 2- [(4- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]- N- [3- (2- oxopyrrolidin- 1- yl)propyl]acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)c1c2CCCC1)NCCCN1CCCC1=O

STK595687
Synonyms: N- [(2S)- 1- (cyclohexylamino)- 1- oxo- 3- phenylpropan- 2- yl]- 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazole- 1- carboxamide
Smiles: O=C([C@@H](NC(=O)N1CCn2c1nc1c2cccc1)Cc1ccccc1)NC1CCCCC1

STK595688
Synonyms: 6,7- dimethoxy- 2- [4- (morpholin- 4- ylsulfonyl)- 2- nitrophenyl]- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCOCC1

STK595689
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- cyclohexylmethylidene]- 5- {[methyl(phenyl)amino]methyl}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C/C1CCCCC1

STK595691
Synonyms: 8- (4- ethylpiperazin- 1- yl)- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK595695
Synonyms: 1- {N- [3- (7- hydroxy- 4,8- dimethyl- 2- oxo- 2H- chromen- 3- yl)propanoyl]glycylglycyl}- 4- phenylpiperidine- 4- carboxylicacid
Smiles: O=C(NCC(=O)N1CCC(CC1)(C(=O)O)c1ccccc1)CNC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)O

STK595697
Synonyms: 1'- pentyl- 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: CCCCCN1C(=O)NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2

STK595698
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- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C

STK595699
Synonyms: methylN- [(2,4- dimethylphenyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccc(cc1C)C)C

STK595701
Synonyms: N- cyclooctyl- 3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]propanamide
Smiles: O=C(NC1CCCCCCC1)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK595702
Synonyms: 4- (propan- 2- yl)- N- (pyridin- 3- ylmethyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- amine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3NCc1cccnc1)C

STK595703
Synonyms: 4- {3- [(E)- (2- cyclopropyl- 5- iminio- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene)methyl]- 2,5- dimethyl- 1H- pyrrol- 1- yl}phenolate
Smiles: [O-]c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)C1CC1

STK595704
Synonyms: 3- butyl- 6- hydroxy- 1'- methyl- 6'- nitro- 2'- phenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCCCN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-])O

STK595706
Synonyms: 3- (3- chlorophenyl)- 10- methyl- 2- (2- methylphenyl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: Clc1cccc(c1)n1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccccc1C

STK595707
Synonyms: 1'- butyl- 6- hydroxy- 3- (3- methoxyphenyl)- 6'- nitro- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCCCN1c2ccc(cc2CC2(C1CCC)C(=NC(=O)N(C2=O)c1cccc(c1)OC)O)[N+](=O)[O-]

STK595709
Synonyms: N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- fluorobenzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)F)/c2c1nc1ccc(cc1c2)C

STK595710
Synonyms: N'- [(E)- (6- hydroxy[1,3]dioxolo[4,5- g]quinolin- 7- yl)methylidene]- 4- methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cc2cc3OCOc3cc2nc1O

STK595711
Synonyms: N- (3- chlorophenyl)- 2- [(1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- yl)oxy]acetamide
Smiles: O=C(Nc1cccc(c1)Cl)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK595712
Synonyms: N- (3- methoxyphenyl)- 2- [(2- oxo- 2H- chromen- 7- yl)oxy]acetamide
Smiles: COc1cccc(c1)NC(=O)COc1ccc2c(c1)oc(=O)cc2

STK595713
Synonyms: N- (3- chlorophenyl)- 4- [(4- oxoquinazolin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: Clc1cccc(c1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK595714
Synonyms: 1- (3- chlorophenyl)- 4- (2,3,4- trimethoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1ccc(c(c1OC)OC)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)Cl

STK595715
Synonyms: (1S,2S)- N'- {(E)- [5- (2,5- dichlorophenyl)furan- 2- yl]methylidene}- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1cc(Cl)ccc1Cl

STK595717
Synonyms: 10- methyl- 6- propyl- 3- (tetrahydrofuran- 2- ylmethyl)- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)CC1CCCO1

STK595718
Synonyms: 10- (3- hydroxyphenyl)- 1,3,7,7- tetramethyl- 5- (3- nitrophenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Oc1cccc(c1)C1OCC(n2c1c1c(c2c2cccc(c2)[N+](=O)[O-])c(=O)n(c(=O)n1C)C)(C)C

STK595720
Synonyms: (5E)- 3- (4- chlorophenyl)- 6- hydroxy- 5- [1- (morpholin- 4- ylamino)propylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/NN1CCOCC1

STK595721
Synonyms: 4- {[(E)- (4- ethoxyphenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK595722
Synonyms: 2- (2- methoxyphenyl)- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccccc1c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2

STK595725
Synonyms: 8- (4- chlorophenyl)- 1- methyl- 3- [2- (morpholin- 4- yl)ethyl]- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Clc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCOCC1

STK595726
Synonyms: 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- methoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2OC)nnc1COc1ccc(cc1)C

STK595727
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl)C

STK595728
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 1H- 1,2,3- triazole- 4- carboxylicacid
Smiles: Cc1cc(C)nc(n1)SCc1c(nnn1c1nonc1N)C(=O)O

STK595729
Synonyms: 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1- (3- methoxyphenyl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK595730
Synonyms: 6,6- dimethyl- 9- (4- methylphenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)C)C1=C(O)CC(CC1=N2)(C)C

STK595733
Synonyms: (5E)- 5- [(1- butyl- 2,3- dihydro- 1H- indol- 5- yl)methylidene]- 3- hexyl- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCCCN1C(=O)N=C(/C(=C\c2ccc3c(c2)CCN3CCCC)/C1=O)O

STK595734
Synonyms: 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- (2,4- dihydroxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(c(c1)O)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

STK595735
Synonyms: methylN- {(1E)- 1- [4- hydroxy- 1- (2- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/CC

STK595736
Synonyms: (3a'S,6a'R)- 7- chloro- 5'- (2- phenylethyl)- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1Cl)C

STK595737
Synonyms: N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}- 3- (1H- indol- 3- yl)propanamide
Smiles: O=C(CCc1c[nH]c2c1cccc2)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK595738
Synonyms: 7- hydrazinyl- 3,5- diphenylpyrazolo[1,5- a]pyrimidine
Smiles: NNc1cc(nc2n1ncc2c1ccccc1)c1ccccc1

STK595739
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)methanesulfonamide
Smiles: CC(CN(S(=O)(=O)C)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK595740
Synonyms: (4E)- 5- (3- ethoxyphenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- [5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: CCOc1cccc(c1)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1nnc(s1)SC

STK595741
Synonyms: 3- ({4- [(4- methylpiperazin- 1- yl)carbonyl]cyclohexyl}methyl)- 1,2,3- benzotriazin- 4(3H)- one
Smiles: CN1CCN(CC1)C(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK595742
Synonyms: N- {4- [(3a'S,6a'R)- 6- chloro- 3'- (1H- indol- 3- ylmethyl)- 7- methyl- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1ccc(c2C)Cl

STK595743
Synonyms: 2- (ethylsulfanyl)- 9- (2- methylphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1C

STK595744
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- [6- (propan- 2- yl)- 1,3- benzothiazol- 2- yl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK595746
Synonyms: 3- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 5- [(4- nitrobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1ccc(cc1)[N+](=O)[O-]

STK595747
Synonyms: (1'S,3R,3'S,7a'S)- 5''- chloro- 1'- [(2- ethoxyphenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1

STK595748
Synonyms: (5Z)- 5- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1- (2,5- dimethoxyphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(c(c1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O)S)OC

STK595749
Synonyms: 1,4- dimethyl- 2- oxo- 5- {(Z)- [4- oxo- 3- (propan- 2- yl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 6- (piperidin- 1- yl)- 1,2- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)C(C)C)c(n(c1=O)C)N1CCCCC1

STK595750
Synonyms: 3- (4- methoxyphenyl)- 7- (4- methylphenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: COc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc(cc1)C

STK595751
Synonyms: 2- chloro- 7- (4- fluorophenyl)- 7,12- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1C2=C(Nc3n1ncn3)c1c(OC2)ccc(c1)Cl

STK595753
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 5- (3,4- dimethoxyphenyl)- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK595754
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- ethoxy- 4- propoxyphenyl)- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK595756
Synonyms: 1',3',4a- trimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrido[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1ccccc1N1C2(C)CCCC1

STK595759
Synonyms: (2Z)- 2- (3- fluorobenzylidene)- 7- (morpholin- 4- ium- 4- ylmethyl)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: Fc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[O-]

STK595761
Synonyms: 2- [(3- benzyl- 4,7- dimethyl- 2- oxo- 2H- chromen- 5- yl)oxy]- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)C

STK595762
Synonyms: 2- methoxy- 4- [(E)- {[3- (phenoxymethyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]phenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK595763
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- [(2- ethoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK595764
Synonyms: 2- [(4- methoxyphenoxy)methyl]- 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)OCc1nc2n(n1)cnc1c2C(c2ccccc2OC)c2c(O1)n(nc2C)c1ccccc1

STK595767
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK595768
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(2- ethoxyphenyl)carbonyl]- 5'',7''- dimethyl- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(C)cc1C

STK595769
Synonyms: (4E)- 2- (2,4- dimethoxyphenyl)- 4- {[(2,4- dimethoxyphenyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(c(c1)OC)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(cc1OC)OC

STK595771
Synonyms: N- (3- chlorophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK595772
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 8- (prop- 2- en- 1- ylamino)- 3,7- dihydro- 2H- purin- 2- one
Smiles: C=CCNc1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C

STK595773
Synonyms: N- cyclohexyl- 1- (4- ethylphenyl)- 4- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)NC2CCCCC2)n2c3c1CCCCn3c(c2)c1ccccc1

STK595774
Synonyms: N- [2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl]ethane- 1,2- diamine
Smiles: NCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK595776
Synonyms: (4E)- 5- (2- chlorophenyl)- 4- [hydroxy(phenyl)methylidene]- 1- (3- methylphenyl)pyrrolidine- 2,3- dione
Smiles: Cc1cccc(c1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1Cl

STK595777
Synonyms: 1- [8- methyl- 10- phenyl- 2- (thiophen- 2- yl)- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)c1cccs1

STK595778
Synonyms: 7- 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: Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)c1ccccc1)/C=C/1\SC(=S)N(C1=O)C(C)C

STK595779
Synonyms: N- (4- {[(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl](tetrahydrofuran- 2- ylmethyl)sulfamoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)CC1CCCO1

STK595780
Synonyms: N- [3,5- bis(trifluoromethyl)phenyl]- 2- {[4- ethyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nnc1c1cccc(c1)C

STK595781
Synonyms: 3- [(Z)- (3- cyclopentyl- 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: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C(=O)N1C1CCCC1

STK595782
Synonyms: 3,4,5- trimethoxy- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)CC(C)C

STK595785
Synonyms: N- (2,5- dimethylphenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1c1ccccc1F

STK595786
Synonyms: 7- (2,4- dimethylphenyl)- 3- ethyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nnc2n1cnc1c2cnn1c1ccc(cc1C)C

STK595787
Synonyms: 6'- hydroxy- 3- (2- methoxyphenyl)- 3'- methyl- 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: COc1ccccc1N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C1=O)C)O

STK595788
Synonyms: 3- amino- 6- (4- fluorophenyl)- N- (2- phenylethyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Fc1ccc(cc1)c1ccc2c(n1)sc(c2N)C(=O)NCCc1ccccc1

STK595790
Synonyms: 3- (4- chlorophenyl)- 7- (2,6- dimethylphenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1c(C)cccc1C

STK595791
Synonyms: 7- fluoro- 2- methyl- 1- (4- methylphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK595792
Synonyms: (3R)- 2,2- dimethyl- 5- oxo- N- {(2S)- 1- oxo- 1- [(pyridin- 4- ylmethyl)amino]propan- 2- yl}- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)NCc1ccncc1

STK595793
Synonyms: 2- [4- (4- chloro- 2,3- dimethylphenoxy)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(c(c2C)C)Cl)c2c(n1)cccc2

STK595795
Synonyms: N- [(3- bromophenyl)carbamoyl]- D- leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)Nc1cccc(c1)Br)C

STK595796
Synonyms: 7- chloro- 6- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- [3- (propan- 2- yloxy)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(Oc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C)C

STK595797
Synonyms: 5- hydroxy- 2- phenyl- 3- (pyridin- 2- ylmethyl)- 5- (trifluoromethyl)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: O=C1N(Cc2ccccn2)C(=NC1(O)C(F)(F)F)c1ccccc1

STK595801
Synonyms: N- [(2Z)- 5,5- dioxido- 3- (2,4,6- trimethylphenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1c(C)cc(cc1C)C)CS(=O)(=O)C2

STK595802
Synonyms: 4- {[(E)- (2,3- dichlorophenyl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1Cl)Cl

STK595803
Synonyms: (E)- [2- (3- hydroxyphenyl)- 4,5- dioxo- 1- (pyridinium- 4- ylmethyl)pyrrolidin- 3- ylidene](2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: Oc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

STK595807
Synonyms: 4- [(2E)- 2- {[5- (2- fluorophenyl)furan- 2- yl]methylidene}hydrazinyl]- 5- phenylthieno[2,3- d]pyrimidine
Smiles: Fc1ccccc1c1ccc(o1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK595808
Synonyms: {1- [3- (2- chlorophenoxy)propyl]- 1H- benzimidazol- 2- yl}(phenyl)methanol
Smiles: Clc1ccccc1OCCCn1c(nc2c1cccc2)C(c1ccccc1)O

STK595809
Synonyms: 2- chloro- 7- (2- fluorophenyl)- 6- [4- (methylsulfanyl)phenyl]- 7,12- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CSc1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1ccccc1F)n1c(N2)ncn1)Cl

STK595810
Synonyms: 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1- (pyridin- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccnc1)c(=O)c1c(o2)cccc1

STK595811
Synonyms: 2- {(2E)- [3- methoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]hydrazinylidene}- 2,3- dihydro- 1H- benzimidazole
Smiles: COc1cc(/C=N/N=c/2\[nH]c3c([nH]2)cccc3)ccc1OCc1cccc2c1cccc2

STK595813
Synonyms: 4- {[(E)- (5- bromo- 2- methoxyphenyl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1OC

STK595814
Synonyms: 2- [(3- nitrobenzyl)amino]- 6,7- dihydro- 5H- cyclopenta[d][1,2,4]triazolo[1,5- a]pyrimidin- 8- ol
Smiles: Oc1c2CCCc2nc2n1nc(n2)NCc1cccc(c1)[N+](=O)[O-]

STK595815
Synonyms: 3- chloro- N- [(1S)- 3- (methylsulfanyl)- 1- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)propyl]- 1- benzothiophene- 2- carboxamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)c1sc2c(c1Cl)cccc2

STK595816
Synonyms: 6- benzyl- 1- (2- fluorophenyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Fc1ccccc1n1c(S)nc(=O)c2c1NCN(C2)Cc1ccccc1

STK595817
Synonyms: (2Z,5Z)- 2- [(3- hydroxyphenyl)imino]- 5- (4- methylbenzylidene)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Cc1ccc(cc1)/C=C/1\S/C(=N\c2cccc(c2)O)/N=C1O

STK595818
Synonyms: 3,4- dimethoxy- N- (2- methylpropyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COc1cc(ccc1OC)C(=O)N(Cc1cc2ccccc2[nH]c1=O)CC(C)C

STK595819
Synonyms: 10- (2- methoxyphenyl)- 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: COc1ccccc1C1OCCn2c1c1c(c2c2ccc(cc2)C)c(=O)n(c(=O)n1C)C

STK595820
Synonyms: (1S,2S)- N'- [(E)- (2- chloro- 7- methoxyquinolin- 3- yl)methylidene]- 2- phenylcyclopropanecarbohydrazide
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)Cl

STK595821
Synonyms: 2- {[4- ethyl- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]acetamide
Smiles: COc1cccc(c1)c1nnc(n1CC)SCC(=O)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C

STK595826
Synonyms: (3S,3a'R,6a'S)- 5- bromo- 3'- (1H- indol- 3- ylmethyl)- 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: Brc1ccc2c(c1)[C@]1(NC([C@H]3[C@@H]1C(=O)N(C3=O)CC1CCCO1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK595827
Synonyms: N- [(2E)- 3- (3- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methylpropanamide
Smiles: COc1cccc(c1)CN1/C(=N\C(=O)C(C)C)/SC2C1CS(=O)(=O)C2

STK595830
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(2- methoxyethyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]- 3,4- dimethoxybenzamide
Smiles: COCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(c(c1)OC)OC)/C#N

STK595832
Synonyms: (3R)- N- benzyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NCc1ccccc1

STK595833
Synonyms: tert- butyl{(2S)- 1- [(2E)- 2- (2H- chromen- 3- ylmethylidene)hydrazinyl]- 4- methyl- 1- oxopentan- 2- yl}carbamate(non- preferredname)
Smiles: CC(C[C@@H](C(=O)N/N=C/C1=Cc2c(OC1)cccc2)NC(=O)OC(C)(C)C)C

STK595835
Synonyms: 4- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- (4- methylpiperazin- 1- yl)- 2- phenylpyrimidine
Smiles: CN1CCN(CC1)c1nc(nc(c1)n1nc(cc1C)C)c1ccccc1

STK595836
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 5- (2- fluorophenyl)- 1- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1F

STK595838
Synonyms: 1- (4- chlorophenyl)- 4- (4- methoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)Cl

STK595839
Synonyms: ethyl[(2Z)- 2- {[(2E)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]imino}- 2,3- dihydro- 1,3- thiazol- 4- yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)/C=C/c2ccc3c(c2)OCO3)/[nH]1

STK595840
Synonyms: N- (3,5- dimethylphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccccc1)c1ccccn1

STK595841
Synonyms: 4- {[(E)- (4- chlorophenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK595842
Synonyms: 2- chloro- N'- [(Z)- (1- hexyl- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]benzohydrazide
Smiles: CCCCCCN1C(=NC(=O)/C(=C/NNC(=O)c2ccccc2Cl)/C1=O)O

STK595843
Synonyms: 2- [(3aR,4R,4aR,7aS,8R,8aR)- 3- (4- chlorophenyl)- 5,7- dioxo- 3a,4,4a,5,7,7a,8,8a- octahydro- 6H- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 6- yl]- 3- phenylpropanoicacid
Smiles: OC(=O)C(N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)Cl)Cc1ccccc1

STK595845
Synonyms: N- {4- [(6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)sulfonyl]phenyl}acetamide
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1ccc(cc1)NC(=O)C

STK595846
Synonyms: 3- (2,4- dimethylphenyl)- 6- hydroxy- 1'- methyl- 6'- nitro- 2'- phenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-])O

STK577347
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)NC(CCc1ccccc1)C)C

STK577769
Synonyms:
Smiles: CC([C@H](C(=O)O)NC(=O)NCC=C)CC

STK569236
Synonyms:
Smiles: Clc1cc(cc(c1)Cl)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STK624678
Synonyms:
Smiles: CCC([C@@H](C(=O)NC1CC1)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)OC)C

STK528730
Synonyms:
Smiles: O=C(Nc1cccc2c1cccc2)NNC(=O)C1[C@@H]2[C@H]1CCCC2

STK743646
Synonyms:
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]n(n1)CC(=O)NC1CCCC1

STK743642
Synonyms:
Smiles: O=C(Cn1[nH]nc(n1)c1cccc(c1)C(F)(F)F)Nc1cc(C)cc(c1)C

STK599287
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1c(Cl)cccc1Cl)N)C

STK645850
Synonyms:
Smiles: CCOc1ccccc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STK753154
Synonyms:
Smiles: O=C1Nc2c(/C/1=N\NP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C)cccc2

STK743651
Synonyms:
Smiles: O=C(N1CCCC1)Cn1[nH]nc(n1)c1ccc(cc1)OCc1ccccc1Cl

STK743659
Synonyms:
Smiles: CCN(C(=O)Cn1[nH]nc(n1)c1cc(OC)c(c(c1)OC)OC)CC

STK713412
Synonyms:
Smiles: Cc1cc(C)c[n+](c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2c1nsn2

STK599329
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)NC(=O)OC(C)(C)C)C

STK674112
Synonyms:
Smiles: O=C1[C@@H]2OC[C@@H](O2)[C@@H]2[C@H]1C2C(=O)c1ccc(cc1)Br

STK604948
Synonyms:
Smiles: CCC([C@@H](C(=O)NCc1ccncc1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK610226
Synonyms:
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1Cl)C(O)C

STK641695
Synonyms:
Smiles: COc1cc(ccc1OC)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STK608774
Synonyms:
Smiles: CCC([C@@H](C(=O)NCc1ccco1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCO2)C

STK607736
Synonyms:
Smiles: CCC([C@@H](C(=O)NC(CO)(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C

STK586321
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCC(=O)Nc1ccc(cc1C)C)N)C

STK595847
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 9- (3- nitrophenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nc2n(n1)C(c1cccc(c1)[N+](=O)[O-])C1=C(O)CC(CC1=N2)(C)C

STK595848
Synonyms: 2- ethyl- 1- [(2E)- 2- (2- hydroxy- 3- methoxybenzylidene)hydrazinyl]- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cccc(c1O)OC)c1ccccc1n2

STK595851
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 6- (4- oxoquinazolin- 3(4H)- yl)hexanamide
Smiles: O=C(/N=c\1/sc2c([nH]1)cccc2)CCCCCn1cnc2c(c1=O)cccc2

STK595853
Synonyms: 9- benzyl- 5- methyl- 2- (pyridin- 3- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1nc2sc3c(c2c2n1nc(n2)c1cccnc1)CCN(C3)Cc1ccccc1

STK595854
Synonyms: (5E)- 5- [(1- butyl- 2,3- dihydro- 1H- indol- 5- yl)methylidene]- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O

STK595855
Synonyms: (2Z)- 1- (2,6- dichloropyridin- 4- yl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3cc(Cl)nc(c3)Cl)/NCCc2cc1OC

STK595857
Synonyms: 6- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl2- [(tert- butoxycarbonyl)amino]butanoate
Smiles: CCC(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2CCC1)NC(=O)OC(C)(C)C

STK595858
Synonyms: (4E)- 4- {[(5- chloropyridin- 2- yl)amino]methylidene}- 2- phenylisoquinoline- 1,3(2H,4H)- dione
Smiles: Clc1ccc(nc1)N/C=C\1/C(=O)N(c2ccccc2)C(=O)c2c1cccc2

STK595859
Synonyms: N- cyclopropyl- 2- (5- methoxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NC1CC1

STK595860
Synonyms: N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methoxyphenyl)- 4- nitrobenzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Cc1cc2cc(OC)ccc2[nH]c1=O

STK595861
Synonyms: 4- [(6E)- 6- (3,4- dimethoxybenzylidene)- 5- iminio- 7- oxo- 6,7- dihydro- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl]phenolate
Smiles: COc1cc(ccc1OC)/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)c1ccc(cc1)[O-]

STK595862
Synonyms: 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1- (thiophen- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccs1)c(=O)c1c(o2)cccc1

STK595863
Synonyms: 1- (5- hydroxy- 2- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)pyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1c1cc(O)nc2n1nc(n2)c1ccccc1

STK595864
Synonyms: 3- (1- oxo- 1- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}butan- 2- yl)- 1,2,3- benzotriazin- 4(3H)- one
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK595865
Synonyms: 1- benzyl- 6- cyclopentyl- 2- hydroxy- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCC1)Cc1ccccc1

STK595866
Synonyms: 6'- hydroxy- 3,3'- diphenyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: O=C1N=C(O)C2(C(=O)N1c1ccccc1)Cc1ccccc1N1C2CN(CC1)c1ccccc1

STK595867
Synonyms: N- (3,5- dimethoxyphenyl)- 2- {[5- (3- methylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2c2ccc(cc2)C)c2cccc(c2)C)cc(c1)OC

STK595868
Synonyms: 2- [(4,8- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 4- ylmethyl)acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)cc2C)NCc1ccncc1

STK595869
Synonyms: N- (2,4- difluorophenyl)- 2- {[5- (3- methylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

STK595870
Synonyms: N- (4- bromophenyl)- 2- ({4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Br)nnc1COc1ccc(cc1)C

STK595871
Synonyms: 4- ({(E)- [4- (benzyloxy)phenyl]methylidene}amino)- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccc(cc1)OCc1ccccc1)c1ccccn1

STK595875
Synonyms: 8- amino- 3- (2- fluorophenyl)- 2',6'- dihydroxy- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(N)ccc1N1C2CN(CC1)c1ccccc1F

STK595876
Synonyms: N- (4- ethylphenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK595877
Synonyms: (5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 3- (3- chloro- 4- fluorophenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1c1ccc(c(c1)Cl)F

STK595878
Synonyms: 7- chloro- 1- (4- hydroxy- 3- methoxyphenyl)- 2- (2- methoxyethyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK595879
Synonyms: N- cyclohexyl- 2- {[10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)NC1CCCCC1)nn2)CC(OC3)(C)C

STK595880
Synonyms: 3- [(3a'S,6a'R)- 7- chloro- 5'- (4- fluorobenzyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cccc1Cl

STK595882
Synonyms: (3a'S,6a'R)- 5'- [2- (3,4- dimethoxyphenyl)ethyl]- 5- fluoro- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3C(C)C)C(=O)Nc3c2cc(F)cc3)ccc1OC

STK595883
Synonyms: 8- (4- benzylpiperazin- 1- yl)- 1,3- dimethyl- 7- [2- (pyrimidin- 2- ylsulfanyl)ethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1n(C)c2nc(n(c2c(=O)n1C)CCSc1ncccn1)N1CCN(CC1)Cc1ccccc1

STK595884
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(COc2ccccc2)nnc1SCc1c(Cl)cccc1Cl

STK595885
Synonyms: N- ({1- [(3- tert- butyl- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]- 4- phenylpiperidin- 4- yl}carbonyl)- beta- alanine
Smiles: OC(=O)CCNC(=O)C1(CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)c1ccccc1

STK595886
Synonyms: 4- (4- methoxyphenyl)- N- (3- methylphenyl)- 1- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)C)c1ccccc1

STK595887
Synonyms: N- [4- (6- ethyl- 10- methyl- 8- oxo- 2H,8H- chromeno[6,7- e][1,3]oxazin- 3(4H)- yl)phenyl]acetamide
Smiles: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1)NC(=O)C

STK595889
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 7- hydroxy- 5- (4- hydroxyphenyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(3H)- one
Smiles: OC1=Nc2nc(SCc3ccc(cc3)Cl)[nH]c(=O)c2C(C1)c1ccc(cc1)O

STK595890
Synonyms: (2E)- 5- (3- methylbenzyl)- 2- (phenylimino)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Cc1cccc(c1)CC1S/C(=N/c2ccccc2)/N=C1O

STK595892
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(4- fluorophenyl)carbonyl]- 3'- [(4- methylphenyl)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]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK595894
Synonyms: 3- [(E)- (2- benzylhydrazinylidene)methyl]- 6- methylquinolin- 2- ol
Smiles: Cc1ccc2c(c1)cc(c(n2)O)/C=N/NCc1ccccc1

STK595895
Synonyms: 1- (3,4- dichlorophenyl)- 7- ethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(c(c1)Cl)Cl)c1noc(c1)C

STK595896
Synonyms: 2- {5- [(3- fluorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}pyrazine
Smiles: Cc1ccc(cc1)n1c(nnc1c1cnccn1)SCc1cccc(c1)F

STK595898
Synonyms: 2- [4- (1- amino- 7- methyl- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridin- 5- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1nc2[nH]nc(c2c2c1CN(C)CC2)N

STK595899
Synonyms: N- [(2S)- 1- (benzylamino)- 1- oxo- 3- phenylpropan- 2- yl]- 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazole- 1- carboxamide
Smiles: O=C([C@@H](NC(=O)N1CCn2c1nc1c2cccc1)Cc1ccccc1)NCc1ccccc1

STK595902
Synonyms: 2- (benzylsulfanyl)- 6,6- dimethyl- 9- (pyridin- 3- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2cccnc2)nc(n3)SCc2ccccc2)CC(C1)(C)C

STK595903
Synonyms: 8- (3- chlorophenyl)- 9- [(2- methoxyethyl)amino]- 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7(8H)- one
Smiles: COCCNc1nc2c3c(sc2c(=O)n1c1cccc(c1)Cl)nc(c1c3CCC1)CC(C)C

STK595905
Synonyms: 9- (2- chlorophenyl)- 6- (3,4,5- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1c(OC)cc(cc1OC)C1CC(=C2C(=Nc3n(C2c2ccccc2Cl)ncn3)C1)O

STK595906
Synonyms: N'- [(3E)- 1- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]benzohydrazide
Smiles: COc1c(OC)ccc2c1C(=O)OC2N1C(=O)/C(=N/NC(=O)c2ccccc2)/c2c1cccc2

STK595907
Synonyms: (4- benzylpiperidin- 1- yl)(4,5,6- trimethoxy- 1H- indol- 2- yl)methanone
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N1CCC(CC1)Cc1ccccc1

STK595909
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (4- methylphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc(cc1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK595910
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- ethoxy- 4- (3- methylbutoxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK595911
Synonyms: 5- (4- fluorophenyl)- 3- (2- hydroxyphenyl)- 1- (1H- indol- 3- ylmethyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(NC2c1ccccc1O)(Cc1c[nH]c2c1cccc2)C(=O)O

STK595912
Synonyms: N- [2',6'- dihydroxy- 3- (4- methoxyphenyl)- 4'- oxo- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl]propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)CC1(C3N2CCN(C3)c2ccc(cc2)OC)C(=NC(=NC1=O)O)O

STK595913
Synonyms: methyl5- fluoro- 3- {[(4- methoxyphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1c([nH]c2c1cc(F)cc2)C(=O)OC

STK595914
Synonyms: N- [(2Z)- 3- (1,3- benzodioxol- 5- yl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2,2- dimethylpropanamide
Smiles: O=C(C(C)(C)C)/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK595915
Synonyms: 11- methyl- 7- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCC(C3)C

STK595917
Synonyms: 4- (3,4- dimethoxyphenyl)- 3,4,5,6- tetrahydrobenzo[h]quinazoline- 2- thiol
Smiles: COc1cc(ccc1OC)C1NC(=NC2=C1CCc1c2cccc1)S

STK595918
Synonyms: (5E)- 3- (3,4- dimethylphenyl)- 6- hydroxy- 5- {[2- (naphthalen- 1- yl)hydrazinyl]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NNc1cccc2c1cccc2)c1ccc(c(c1)C)C

STK595921
Synonyms: 3- (4- ethoxyphenyl)- 2- {[3- (trifluoromethyl)benzyl]sulfanyl}quinazolin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nc2c(c1=O)cccc2

STK595923
Synonyms: (5E)- 3- butyl- 6- hydroxy- 5- (1- {[3- (morpholin- 4- yl)propyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCCN2CCOCC2)/CC)/C1=O)O

STK595924
Synonyms: 5- (2- bromophenyl)- 4- ({(E)- [4- (diethylamino)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCN(c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Br)CC

STK595927
Synonyms: (4E)- 5- (3- chlorophenyl)- 1- {5- [(2,4- dichlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 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(C1c1cccc(c1)Cl)c1nnc(s1)SCc1ccc(cc1Cl)Cl)/O

STK595930
Synonyms: (5E)- 5- [(1- benzyl- 1,2,3,4- tetrahydroquinolin- 6- yl)methylidene]- 1- (4- ethoxyphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)S

STK595931
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[4- ethyl- 5- (2- fluorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccccc1F)C

STK595932
Synonyms: (5E)- 6- hydroxy- 3- (4- methoxybenzyl)- 5- ({[2- (piperidin- 1- yl)ethyl]amino}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)CN1C(=O)N=C(/C(=C\NCCN2CCCCC2)/C1=O)O

STK595934
Synonyms: 5- chloro- 3- [(4- methylphenyl)sulfonyl]- 1,3- benzoxazol- 2(3H)- one
Smiles: Cc1ccc(cc1)S(=O)(=O)n1c(=O)oc2c1cc(Cl)cc2

STK595935
Synonyms: methyl5- acetyl- 2- ({(Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- 4- methylthiophene- 3- carboxylate
Smiles: N#C/C(=C/Nc1sc(c(c1C(=O)OC)C)C(=O)C)/c1scc(n1)c1ccc2c(c1)OCO2

STK595937
Synonyms: 8- {(E)- [2- (5- phenylthieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}- 2,3- dihydro[1,4]dioxino[2,3- g]quinolin- 7- ol
Smiles: Oc1nc2cc3OCCOc3cc2cc1/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK595938
Synonyms: 2'- phenyl- 1- (propan- 2- yl)- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: CC(N1C(=O)NC(=O)C2(C1=O)Cc1ccccc1N1C2CC(C1)c1ccccc1)C

STK595939
Synonyms: 5- [3- (benzyloxy)phenyl]- N'- [(E)- 1H- indol- 3- ylmethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C/c1c[nH]c2c1cccc2

STK595940
Synonyms: 9- (3- ethoxy- 4- hydroxyphenyl)- 6- [4- (propan- 2- yl)phenyl]- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCOc1cc(ccc1O)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccc(cc1)C(C)C

STK595945
Synonyms: (4Z)- 2- (2- chloro- 4,5- difluorophenyl)- 4- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1c(C)nn(c1Cl)c1ccccc1)c1cc(F)c(cc1Cl)F

STK595946
Synonyms: 3- benzyl- 1- [3- (dimethylamino)propyl]- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: CN(CCCn1c2sc3c(c2c(=O)n(c1=O)Cc1ccccc1)CCCCC3)C

STK595949
Synonyms: 7- (2- chlorobenzyl)- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: Clc1ccccc1Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2

STK595950
Synonyms: N- (4- {[(3Z)- 6- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]sulfamoyl}phenyl)acetamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=O)C)/c2c1nc1ccc(cc1c2)C

STK595951
Synonyms: 1'- (2- methoxyethyl)- 6a,7,8,9,10,11- hexahydro- 2'H,5H- spiro[azepino[1,2- a]quinoline- 6,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: COCCN1C(=O)NC(=O)C2(C1=O)Cc1ccccc1N1C2CCCCC1

STK595952
Synonyms: 3- (4- butoxyphenyl)- 5- propyl- 3H- pyrrolo[2',3':4,5]pyrimido[1,6- a]benzimidazol- 1- ylbutanoate
Smiles: CCCCOc1ccc(cc1)n1cc(c2c1nc(CCC)n1c2nc2c1cccc2)OC(=O)CCC

STK595955
Synonyms: N- (3,4- difluorophenyl)- 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1COc1ccc(cc1)C

STK595956
Synonyms: ethyl1- benzyl- 5- (2- {[2- (4- methoxyphenyl)ethyl]amino}- 2- oxoethoxy)- 2- methyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)NCCc1ccc(cc1)OC)cc2)Cc1ccccc1

STK595957
Synonyms: 2- [(2,5- dibromophenyl)sulfonyl]- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1cc(Br)ccc1Br

STK595959
Synonyms: 2- chloro- 3- [4- (2- fluorophenyl)piperazin- 1- yl]quinoxaline
Smiles: Clc1nc2ccccc2nc1N1CCN(CC1)c1ccccc1F

STK595960
Synonyms: 3- [(3- fluorobenzyl)sulfanyl]- 5- (3- methylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)F)nnc1c1cccc(c1)C

STK595961
Synonyms: N- (4- acetylphenyl)- 2- (9- fluoro- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)acetamide
Smiles: O=C(Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)F)Nc1ccc(cc1)C(=O)C

STK595962
Synonyms: (5E)- 5- ({1- [3- (2- chlorophenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 3- (furan- 2- ylmethyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\c2cn(c3c2cccc3)CCCOc2ccccc2Cl)/C(=O)N1Cc1ccco1

STK595963
Synonyms: N- (2- {7- methoxy- 6- [(E)- (2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinylidene)methyl]- 1,3- benzodioxol- 5- yl}ethyl)- N- methylpropanamide
Smiles: CCC(=O)N(CCc1cc2OCOc2c(c1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)OC)C

STK595964
Synonyms: 3- (2- fluorobenzyl)- 1- methyl- 9- (2- methylphenyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: Fc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccccc1C

STK595965
Synonyms: (5Z)- 5- {1- [(3,5- dimethoxybenzyl)amino]ethylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cc(CN/C(=C\2/C(=NC(=O)N(C2=O)c2ccccc2C)O)/C)cc(c1)OC

STK595967
Synonyms: N,N- dimethyl- N'- (2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)ethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)C

STK595968
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(2- chlorophenyl)carbonyl]- 5'',7''- dimethyl- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1Cl

STK595969
Synonyms: 5,9- dimethyl- 2- [4- (2- methylpropoxy)phenyl]- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC(COc1ccc(cc1)c1nn2c(n1)c1c(nc2C)sc2c1CCN(C2)C)C

STK595970
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (3- ethoxy- 4- hydroxyphenyl)- 5- (4- fluorobenzyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)F)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK595972
Synonyms: 2- [(6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]- N- (4- sulfamoylbenzyl)acetamide
Smiles: O=C(NCc1ccc(cc1)S(=O)(=O)N)COc1ccc2c(c1)oc(=O)c1c2CCCC1

STK595973
Synonyms: 3,7- dimethyl- 1- [(3- phenyl- 4,5- dihydro- 1,2- oxazol- 5- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1n(CC2ON=C(C2)c2ccccc2)c(=O)c2c(n1C)ncn2C

STK595974
Synonyms: 7- [(4- bromobenzyl)sulfanyl]- 2- methyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: Brc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CCCC3

STK595975
Synonyms: 3- (1,3- benzodioxol- 5- yl)- N- (3- methoxypropyl)- 6- methylheptan- 1- amine
Smiles: COCCCNCCC(c1ccc2c(c1)OCO2)CCC(C)C

STK595976
Synonyms: N- [(2Z)- 3- [2- (3,4- dimethoxyphenyl)ethyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- ethylbutanamide
Smiles: CCC(C(=O)/N=C/1\SC2C(N1CCc1ccc(c(c1)OC)OC)CS(=O)(=O)C2)CC

STK595977
Synonyms: 4- {[(E)- (4- tert- butylphenyl)methylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)(C)C

STK595984
Synonyms: 6- chloro- 2- oxo- 4- propyl- 2H- chromen- 7- yl[(tert- butoxycarbonyl)amino](phenyl)acetate
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)C(c1ccccc1)NC(=O)OC(C)(C)C

STK595985
Synonyms: 1,3- dimethyl- 5- phenyl- 10- (2,3,4- trimethoxyphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1ccc(c(c1OC)OC)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK595987
Synonyms: (5Z)- 2- (4- benzylpiperazin- 1- yl)- 5- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)Cc1ccccc1

STK595988
Synonyms: 2- (4- methoxybenzyl)- 1- (4- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)CN1C(c2ccc(cc2)OC)c2c(C1=O)oc1c(c2=O)cccc1

STK595989
Synonyms: 2- {[4- (4- chlorophenyl)- 3- cyano- 5- hydroxy- 7,7- dimethyl- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (2,5- dimethoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(OC)ccc2OC)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl

STK595990
Synonyms: 1- hydroxy- 9- oxo- 9H- xanthen- 3- ylN- (tert- butoxycarbonyl)- D- phenylalaninate
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)Cc1ccccc1

STK595992
Synonyms: 5- tert- butyl- N- (4- ethoxyphenyl)- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCOc1ccc(cc1)Nc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK595993
Synonyms: {4- [(3aR,4R,4aR,7aS,8R,8aR)- 6- methyl- 5,7- dioxo- 4,4a,5,6,7,7a,8,8a- octahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 3- yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C

STK595994
Synonyms: N- (2- methoxyethyl)- 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(NCCOC)nc2n1nnn2

STK595995
Synonyms: 2- {[3- cyano- 5- hydroxy- 4- (4- hydroxy- 3- methoxyphenyl)- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)N=C2C(=C(O)CCC2)C1c1ccc(c(c1)OC)O

STK595999
Synonyms: 1- methyl- 4- (4- methylpiperazin- 1- yl)- 3- nitroquinolin- 2(1H)- one
Smiles: CN1CCN(CC1)c1c([N+](=O)[O-])c(=O)n(c2c1cccc2)C

STK596000
Synonyms: 1- [(4- methylphenyl)sulfonyl]- N- [(2S)- 4- (methylsulfanyl)- 1- oxo- 1- (propylamino)butan- 2- yl]piperidine- 4- carboxamide
Smiles: CSCC[C@@H](C(=O)NCCC)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK596001
Synonyms: ethyl2- [(2Z)- 1,3- benzothiazol- 2(3H)- ylideneamino]- 4- {[(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]methyl}pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1CSc1nncn1C)/N=c/1\sc2c([nH]1)cccc2

STK596003
Synonyms: N- [(2Z)- 3- (3- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1cccc(c1)OC)CS(=O)(=O)C2

STK596005
Synonyms: N- (3,5- dimethoxyphenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1COc1ccc(cc1)C

STK596006
Synonyms: N- [(2Z)- 6- (methylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- (thiophen- 2- yl)acetamide
Smiles: O=C(/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C)Cc1cccs1

STK596007
Synonyms: 4- (4- chlorophenyl)- 3- [(4- fluorobenzyl)sulfanyl]- 5- (3- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Fc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK596008
Synonyms: 9,10- dimethoxy- 2- (2,4,6- trimethylphenoxy)- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Oc2c(C)cc(cc2C)C)nc1=O

STK596009
Synonyms: (3a'S,6a'R)- 5- chloro- 5'- (3- chloro- 4- fluorophenyl)- 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)c1ccc(c(c1)Cl)F)Cc1c[nH]c3c1cccc3)C(=O)N2

STK596010
Synonyms: 3- benzyl- 4- methyl- 9- (pyridin- 4- ylmethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: O=c1oc2c3CN(COc3ccc2c(c1Cc1ccccc1)C)Cc1ccncc1

STK596012
Synonyms: 8- [(2E)- 2- benzylidenehydrazinyl]- 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1cccc(c1)OCC(Cn1c(N/N=C/c2ccccc2)nc2c1c(O)nc(=O)n2C)O

STK596014
Synonyms: (2E)- 2- [(2E)- (4- hydroxybenzylidene)hydrazinylidene]- 5- (4- methoxybenzyl)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: COc1ccc(cc1)CC1S/C(=N/N=C/c2ccc(cc2)O)/N=C1O

STK596016
Synonyms: 4- (5- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)phenol
Smiles: Oc1ccc(cc1)c1nn2c(n1)c1c(nc2C)sc2c1CCCC2

STK596018
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)- 5- (3,4,5- trimethoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK596020
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 5- (3- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(SCc2ccccc2Cl)nnc1c1cccc(c1)Cl

STK596023
Synonyms: 3- benzyl- 8- methoxy- 2- (4- methoxyphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc(cc1)c1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1

STK596024
Synonyms: 6- methoxy- N'- {(E)- [4- (prop- 2- en- 1- yloxy)phenyl]methylidene}- 1H- indole- 2- carbohydrazide
Smiles: C=CCOc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)cc(cc2)OC

STK596026
Synonyms: 9- [2- (3- fluorophenyl)ethyl]- 6- methyl- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: Fc1cccc(c1)CCN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK596028
Synonyms: N- [4- (diethylamino)phenyl]- 2- ({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C)CC

STK596029
Synonyms: (1'S,3R,3'S,7a'S)- 5''- chloro- 7''- methyl- 1'- (naphthalen- 2- ylcarbonyl)- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Clc1cc(C)c2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)cccc2

STK596030
Synonyms: (6E)- 4- (1- benzofuran- 2- yl)- 6- [(2,3- dimethylphenyl)imino]- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1[nH]/c(=N\c2cccc(c2C)C)/nc(n1)c1cc2c(o1)cccc2

STK596031
Synonyms: biphenyl- 4- yl(6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(cc1)c1ccccc1

STK596032
Synonyms: N- (3- methoxyphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK596034
Synonyms: N- methyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)c1ccccc1)C

STK596035
Synonyms: N- [(2- methylquinolin- 8- yl)carbamothioyl]acetamide
Smiles: CC(=O)NC(=S)Nc1cccc2c1nc(C)cc2

STK596037
Synonyms: 8- [4- (2,5- dimethylbenzyl)piperazin- 1- yl]- 6- hydroxy- 3- methyl- 7- (3- methylbutyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1cc(C)ccc1C)C

STK596038
Synonyms: N- [(2S)- 1- (cyclohexylamino)- 1- oxopropan- 2- yl]- 1- (4- methoxyphenyl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCCC1)C

STK596040
Synonyms: 2- (4- bromophenyl)- 3- (furan- 2- ylmethyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Brc1ccc(cc1)c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK596041
Synonyms: 6- (furan- 2- yl)- 9- (pyridin- 3- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2cccnc2)ncn3)CC(C1)c1ccco1

STK596042
Synonyms: 3- (4- methoxyphenyl)- 8- nitro- 1'- (propan- 2- yl)- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)NC(=O)N(C1=O)C(C)C

STK596044
Synonyms: 3- (3- methoxyphenyl)- 5- [(4- methylbenzyl)sulfanyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(SCc2ccc(cc2)C)nnc1c1cccc(c1)OC

STK596045
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 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)c1cccc(c1)Cl

STK596046
Synonyms: 4- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 2- phenyl- 6- (1H- pyrazol- 1- yl)pyrimidine
Smiles: Cc1nn(c(c1)C)c1nc(nc(c1)n1cccn1)c1ccccc1

STK596047
Synonyms: N- [4- (6- oxo- 2H,6H- benzo[3,4]chromeno[8,7- e][1,3]oxazin- 3(4H)- yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1COc2c(C1)c1oc(=O)c3c(c1cc2)cccc3

STK596048
Synonyms: N- (4- methoxyphenyl)- 2- ({4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OC)nnc1COc1ccc(cc1)C

STK596052
Synonyms: N- (3,4- dimethylphenyl)- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(c1)C)C

STK596053
Synonyms: 1- {[1,3- dimethyl- 7- (4- methylbenzyl)- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STK596056
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- bromophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK596057
Synonyms: 4- methyl- N- (1- methyl- 2- {2- [4- (4- methylphenyl)piperazin- 1- yl]ethyl}- 1H- benzimidazol- 5- yl)benzamide
Smiles: Cc1ccc(cc1)N1CCN(CC1)CCc1nc2c(n1C)ccc(c2)NC(=O)c1ccc(cc1)C

STK596058
Synonyms: (5E)- 5- {[(1- benzylpiperidin- 4- yl)amino]methylidene}- 6- hydroxy- 3- (4- iodophenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C\NC2CCN(CC2)Cc2ccccc2)/C1=O)O

STK596060
Synonyms: 4- {[(E)- (4- tert- butylphenyl)methylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)(C)C

STK596061
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,4,6- trimethylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1COc1ccc(cc1)Cl

STK596062
Synonyms: 5- {[(3Z)- 8- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 5- oxopentanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCCC(=O)O)/c2c1nc1c(C)cccc1c2

STK596063
Synonyms: 7- (3,4- dichlorophenyl)- 3- (2- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1ccccc1c1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl

STK596066
Synonyms: N'- [(E)- (1- benzyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C/c1c(C)nn(c1C)Cc1ccccc1

STK596067
Synonyms: N- (2- bromophenyl)- 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK596068
Synonyms: 3- chloro- N- {(1Z)- 1- [1- cyano- 2- (cyclohexylamino)- 2- oxoethylidene]- 1H- isoindol- 3- yl}benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)Cl)/C(=O)NC1CCCCC1

STK596069
Synonyms: (5Z)- 5- {[(3- ethyl- 2',6'- dihydroxy- 4'- oxo- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl)amino]methylidene}- 6- hydroxy- 3- (propan- 2- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=NC(=O)N(C2=O)C(C)C)O)C(=NC(=NC1=O)O)O

STK596070
Synonyms: (5E)- 5- {[5- (4- fluorophenyl)furan- 2- yl]methylidene}- 2- (4- phenylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1ccc(cc1)c1ccc(o1)/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccccc1

STK596071
Synonyms: (2,5- dichlorophenyl)(6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1cc(Cl)ccc1Cl

STK596072
Synonyms: methyl4- {(3E)- 1- [5- (benzylsulfanyl)- 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)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK596075
Synonyms: 10,10- dimethyl- N- [2- (morpholin- 4- yl)ethyl]- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)NCCN1CCOCC1

STK596076
Synonyms: (5E)- 5- [(1- benzyl- 1,2,3,4- tetrahydroquinolin- 6- yl)methylidene]- 6- hydroxy- 3- (2- phenylethyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C(=O)N1CCc1ccccc1

STK596077
Synonyms: N- [4- (5- methyl- 1,3- benzothiazol- 2- yl)phenyl]- 3,5- dinitrobenzamide
Smiles: Cc1ccc2c(c1)nc(s2)c1ccc(cc1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK596079
Synonyms: 8- [(4- ethylpiperazin- 1- yl)methyl]- 1,3- dimethyl- 7- pentyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(CN2CCN(CC2)CC)nc2c1c(=O)n(c(=O)n2C)C

STK596080
Synonyms: 2- ({6- cyano- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl}sulfanyl)- N- (2- methoxyphenyl)acetamide
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)Nc3ccccc3OC)nnc2c2c1CC(C)(C)OC2

STK596085
Synonyms: 3- (3- nitrophenyl)- 7- [3- (trifluoromethyl)phenyl]- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: O=C1CC2(C(=O)N1c1cccc(c1)C(F)(F)F)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK596086
Synonyms: 4- methoxy- N- [(3E)- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c\1/[nH]n(c2c1cc1ccccc1n2)CC(C)C

STK596087
Synonyms: 3- [(2,6- dimethylmorpholin- 4- ium- 4- yl)methyl]- 2- methylbenzo[h]quinolin- 4- olate
Smiles: CC1C[NH+](CC(O1)C)Cc1c(C)nc2c(c1[O-])ccc1c2cccc1

STK596088
Synonyms: 4- chloro- N- [(3Z)- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)Cl)/c2c1nc1ccccc1c2

STK596090
Synonyms: ethyl4- [4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- yl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C

STK596092
Synonyms: 3- cycloheptyl- 2- ethyl- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCc1nc2c(c(=O)n1C1CCCCCC1)c(=O)c1c(n2C)cccc1

STK596094
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- ethoxyphenyl)acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1CC=C)COc1ccc(cc1)Cl

STK596097
Synonyms: 2- [2- (diethylamino)ethyl]- 1- (4- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCN(CCN1C(=O)c2c(C1c1ccc(cc1)OC)c(=O)c1c(o2)cccc1)CC

STK596098
Synonyms: 8- (4- fluorophenyl)- 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)F

STK596102
Synonyms: 4- {[({4- ethyl- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetyl]amino}benzamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)N)nnc1COc1ccc(cc1)C

STK596104
Synonyms: (4E)- 4- {[(2,4- dimethoxyphenyl)amino]methylidene}- 2- (6- methylpyridin- 2- yl)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(c(c1)OC)N/C=C\1/C(=O)N(c2cccc(n2)C)C(=O)c2c1cccc2

STK596105
Synonyms: methyl3- {5- [(E)- (7- imino- 2- methyl- 5- oxo- 5H- [1,2]oxazolo[2,3- a]pyrimidin- 6(7H)- ylidene)methyl]furan- 2- yl}benzoate
Smiles: COC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)N=c2n(C1=N)oc(c2)C

STK596106
Synonyms: methyl3- {[(5- chlorothiophen- 2- yl)sulfonyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(s1)Cl)cc(cc2)C

STK596108
Synonyms: N- [(2Z)- 3- (3,4- dimethoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3- methylbutanamide
Smiles: COc1cc(ccc1OC)CN1/C(=N/C(=O)CC(C)C)/SC2C1CS(=O)(=O)C2

STK596109
Synonyms: 4- (4- chlorophenyl)- 1- (4- ethoxyphenyl)- N- (3- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STK596110
Synonyms: 9- (2- fluorophenyl)- 6- methyl- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: Fc1ccccc1N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK596111
Synonyms: N- (2- {6- [(E)- {2- [(2- hydroxyphenyl)carbonyl]hydrazinylidene}methyl]- 7- methoxy- 1,3- benzodioxol- 5- yl}ethyl)- N- methylpropanamide
Smiles: CCC(=O)N(CCc1cc2OCOc2c(c1/C=N/NC(=O)c1ccccc1O)OC)C

STK596112
Synonyms: N'- {(Z)- [1- (3,4- dimethylphenyl)- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C\1/C(=O)N=C(N(C1=O)c1ccc(c(c1)C)C)O

STK596115
Synonyms: 4- {[(1E,2Z)- 2- chloro- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (4- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C

STK596116
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- benzyl- 7- chloro- 5- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(Cl)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1

STK596118
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (4- ethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK596119
Synonyms: (2E)- 2- cyano- 2- [(5E)- 5- (4- fluorobenzylidene)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- N- (3- methoxyphenyl)ethanamide
Smiles: COc1cccc(c1)NC(=O)/C(=c\1/s/c(=C/c2ccc(cc2)F)/c(=O)n1c1ccccc1)/C#N

STK596120
Synonyms: N- (2- chlorophenyl)- 1- (4- ethoxyphenyl)- 4- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1Cl)cc3c1ccccc1

STK596122
Synonyms: N- butyl- 4- (4- methoxyphenyl)tetrahydro- 2H- pyran- 4- carboxamide
Smiles: CCCCNC(=O)C1(CCOCC1)c1ccc(cc1)OC

STK596123
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- ethoxy- 4- (pentyloxy)phenyl]- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)C

STK596124
Synonyms: N- [(2Z)- 5,5- dioxido- 3- [4- (propan- 2- yl)phenyl]tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1c1ccc(cc1)C(C)C)CS(=O)(=O)C2

STK596125
Synonyms: N- [(2E)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])/N=c/1\[nH]nc(s1)c1ccco1

STK596126
Synonyms: N- (3,5- dichlorophenyl)- 4- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CCCn1nnc2c(c1=O)cccc2

STK596127
Synonyms: methyl4- {4- hydroxy- 1,3,7- trimethyl- 6- [(2- methylphenyl)carbamoyl]- 2- oxo- 1,2,3,5- tetrahydropyrido[2,3- d]pyrimidin- 5- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(C)N=c2c1c(O)n(C)c(=O)n2C)C(=O)Nc1ccccc1C

STK596128
Synonyms: N- {[1- (tert- butoxycarbonyl)- 4- phenylpiperidin- 4- yl]carbonyl}- L- leucyl- L- proline
Smiles: CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C

STK596130
Synonyms: N- [6- chloro- 4- oxo- 3- (3,4,5- trimethoxyphenyl)- 4H- chromen- 2- yl]- 3- methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1oc2ccc(cc2c(=O)c1c1cc(OC)c(c(c1)OC)OC)Cl

STK596131
Synonyms: 4- (4- chlorophenyl)- N- (2- methoxyphenyl)- 1- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccccc1NC(=O)c1n2cc(n3c2c(c1c1ccccc1)CCCC3)c1ccc(cc1)Cl

STK596133
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 2- (3- hydroxy- 5- methyl- 4H- pyrazol- 4- yl)acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccccc1Cl

STK596135
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK596136
Synonyms: 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1CCC(C)C)c(=O)n(c(=O)n2C)C

STK596137
Synonyms: 2- {(E)- [(2E)- (4,6- dimethylpyrimidin- 2(1H)- ylidene)hydrazinylidene]methyl}- 5- (4- fluorophenyl)- 3- hydroxycyclohex- 2- en- 1- one
Smiles: Fc1ccc(cc1)C1CC(=C(C(=O)C1)/C=N/N=c\1/nc(C)cc([nH]1)C)O

STK596138
Synonyms: 4- ({(2'S,3S,3'S,10b'R)- 2'- [(3- nitrophenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3

STK596139
Synonyms: 3- [(3a'S,6a'R)- 5'- tert- 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: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK596140
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- butylphenyl)acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)OC

STK596141
Synonyms: (5s,7s)- 2- (4- chlorophenyl)- 5- methyl- 7- phenyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: Clc1ccc(cc1)C1N2C[C@@]3(CN1C[C@](C2)(C3=O)c1ccccc1)C

STK596142
Synonyms: (5E)- 5- {[1- (2- chlorobenzyl)- 2,3- dihydro- 1H- indol- 5- yl]methylidene}- 3- (3,5- dimethylphenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1cc(C)cc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C1=O)O

STK596143
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 6- (1,3- benzodioxol- 5- yl)- 3- (4- nitrophenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)[N+](=O)[O-]

STK596144
Synonyms: 2- [1- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)- 4- methyl- 1- oxopentan- 2- yl]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)C(N1C(=O)c2c(C1=O)cccc2)CC(C)C

STK596145
Synonyms: 4- ({(E)- [4- (diethylamino)phenyl]methylidene}amino)- 5- (2- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCN(c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F)CC

STK596146
Synonyms: 2- [(3aR,4R,4aR,7aS,8R,8aR)- 3- (4- chlorophenyl)- 5,7- dioxo- 3a,4,4a,5,7,7a,8,8a- octahydro- 6H- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 6- yl]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)Cl

STK596147
Synonyms: 3- (2- phenylethyl)- 1- [2- (pyrrolidin- 1- yl)ethyl]- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: O=c1n(CCc2ccccc2)c(=O)c2c(n1CCN1CCCC1)sc1c2CCCCC1

STK596148
Synonyms: 3'- (3,5- dimethylphenyl)- 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)c1cc(C)cc(c1)C)O)[N+](=O)[O-]

STK596149
Synonyms: N- (2- methylphenyl)- 2- [(12- 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)c1c(s2)n2c(SCC(=O)Nc3ccccc3C)nnc2n2c1ncn2

STK596150
Synonyms: 7- [(3- bromobenzyl)oxy]- 7'- methoxy- 2H,2'H- 3,4'- bichromene- 2,2'- dione
Smiles: COc1ccc2c(c1)oc(=O)cc2c1cc2ccc(cc2oc1=O)OCc1cccc(c1)Br

STK596151
Synonyms: (4E)- 1- [5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 5- (3- butoxyphenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK596153
Synonyms: 1- ({4- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]phenyl}carbonyl)- L- proline
Smiles: O=C(N1CCC[C@H]1C(=O)O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK596154
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK596155
Synonyms: 3- [(2,6- difluorobenzyl)sulfanyl]- 4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazole
Smiles: Fc1cccc(c1CSc1nnc(n1Cc1ccco1)COc1ccccc1)F

STK596156
Synonyms: 6- chloro- 2- oxo- 4- phenyl- 2H- chromen- 7- ylN- [(benzyloxy)carbonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)NC(=O)OCc1ccccc1

STK596157
Synonyms: 7- (benzylsulfanyl)- 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]pyrimidine
Smiles: Cc1nn2c(n1)c1c3CC(C)(C)OCc3sc1n1c2nnc1SCc1ccccc1

STK596160
Synonyms: 3- [(2- fluorobenzyl)sulfanyl]- 5- (2- fluorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: Fc1ccccc1CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK596161
Synonyms: 9- (3- chlorophenyl)- 10- hydroxy- 2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: Clc1cccc(c1)n1c(O)nc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)C

STK596163
Synonyms: 7- (2,4- dichlorophenyl)- 1,3- dimethyl- 8- (2- methylphenyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1ccc(c(c1)Cl)c1cn2c(n1c1ccccc1C)nc1c2c(=O)n(C)c(=O)n1C

STK596165
Synonyms: 4- {[(E)- (5- bromothiophen- 2- yl)methylidene]amino}- 5- (2- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccc(s1)/C=N/n1c(=S)[nH]nc1c1ccccc1C

STK596166
Synonyms: 3- cyclohexyl- N- (3,4- dimethoxybenzyl)- 3- [4- (propan- 2- yloxy)phenyl]propan- 1- amine
Smiles: COc1cc(CNCCC(c2ccc(cc2)OC(C)C)C2CCCCC2)ccc1OC

STK596169
Synonyms: (4Z)- 6- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 4- (phenylimino)- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccccc2)/[nH]1

STK596171
Synonyms: N- [(2E)- 3- benzyl- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3- phenylpropanamide
Smiles: O=C(/N=C\1/SC2C(N1Cc1ccccc1)CS(=O)(=O)C2)CCc1ccccc1

STK596173
Synonyms: 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1- (pyridin- 4- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccncc1)c(=O)c1c(o2)cccc1

STK596174
Synonyms: 7- bromo- 1- (4- methylphenyl)- 2- (4- methylpyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc(cc1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK596176
Synonyms: 10- methyl- 6- phenyl- 3- (pyridin- 4- ylmethyl)- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)CN(CO1)Cc1ccncc1

STK596177
Synonyms: [(diphenylphosphoryl)methyl](2- phenylethyl)phosphinicacid
Smiles: OP(=O)(CP(=O)(c1ccccc1)c1ccccc1)CCc1ccccc1

STK596180
Synonyms: {[(3,4- dichlorobenzyl)sulfanyl][(3- fluorophenyl)amino]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1cccc(c1)F)SCc1ccc(c(c1)Cl)Cl)C#N

STK596183
Synonyms: 3- methyl- 2- oxo- N- (5,6,7,8- tetrahydronaphthalen- 1- yl)- 2,3- dihydro- 1,3- benzoxazole- 6- sulfonamide
Smiles: Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)Nc1cccc2c1CCCC2

STK596184
Synonyms: N- (4- {[4- (3- methoxyphenyl)piperazin- 1- yl]sulfonyl}phenyl)acetamide
Smiles: COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)C

STK596185
Synonyms: 4- ({(E)- [3- (benzyloxy)- 4- methoxyphenyl]methylidene}amino)- 5- (3- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)OCc1ccccc1)OC

STK596186
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 4- (4- fluorophenyl)- 7,7- dimethyl- 4,6,7,8- tetrahydroquinazolin- 5- ol
Smiles: Fc1ccc(cc1)C1N=C(Nc2nc3c(o2)cccc3)N=C2C1=C(O)CC(C2)(C)C

STK596187
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (5- bromothiophen- 2- yl)ethylidene]- 5- (4- ethoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(s1)Br)\C

STK596188
Synonyms: 3- [(Z)- (3- butyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 7- methyl- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)/C1=O

STK596189
Synonyms: 2- hydroxy- 1- phenyl- 6- (2- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Oc1nc(=O)c2c(n1c1ccccc1)NCN(C2)CCc1ccccc1

STK596190
Synonyms: 3- butyl- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK596191
Synonyms: 4- [(2E)- 2- (quinolin- 6- ylmethylidene)hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1ccc2c(c1)cccn2

STK596192
Synonyms: methyl4- [(E)- {[3- (4- methylphenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C

STK596193
Synonyms: 3- (2- chlorophenyl)- 5,7- dimethylpyrazolo[1,5- a]pyrimidine
Smiles: Cc1cc(C)n2c(n1)c(cn2)c1ccccc1Cl

STK596194
Synonyms: [(3E)- 3- [hydroxy(4- methylphenyl)methylidene]- 2- (4- nitrophenyl)- 4,5- dioxopyrrolidin- 1- yl]aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK596195
Synonyms: 3- [(3R,3'S,3a'S,6a'R)- 5'- (2- fluorophenyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1F)C(=O)Nc1c2cccc1

STK596196
Synonyms: 8- [(dibenzylamino)methyl]- 6- hydroxy- 3- methyl- 7- (2- methylpropyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(O)nc(=O)n2C)C

STK596197
Synonyms: ({[(4Z)- 6,6- dimethyl- 6,7- dihydro- 1- benzofuran- 4(5H)- ylidene]amino}oxy)(thiophen- 2- yl)methanone
Smiles: O=C(c1cccs1)O/N=C\1/CC(C)(C)Cc2c1cco2

STK596198
Synonyms: (2Z)- 7- {[bis(2- methoxyethyl)ammonio]methyl}- 3- oxo- 2- (2,4,5- trimethoxybenzylidene)- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(OC)c(cc1OC)OC)/C2=O)CCOC

STK596202
Synonyms: (4E)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 1- (6- methoxy- 1,3- benzothiazol- 2- yl)- 5- [4- (prop- 2- en- 1- yloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

STK596204
Synonyms: 5- {[(2Z)- 3- (4- chlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)Cl)CS(=O)(=O)C2

STK596206
Synonyms: 3- [(2S)- 1- oxo- 1- (piperidin- 1- yl)propan- 2- yl]quinazolin- 4(3H)- one
Smiles: O=C([C@@H](n1cnc2c(c1=O)cccc2)C)N1CCCCC1

STK596207
Synonyms: 5- tert- butyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidine- 7- thiol
Smiles: Cc1ccc(cc1)c1cnn2c1nc(cc2S)C(C)(C)C

STK596208
Synonyms: (3R,3'S,3a'S,6a'R)- 5'- (3- chlorophenyl)- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2C(C)C)C(=O)Nc2c1cccc2

STK596209
Synonyms: 10- (4- hydroxyphenyl)- 1,3- dimethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Oc1ccc(cc1)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK596211
Synonyms: 1- (pyrrolidinium- 1- ylmethyl)naphthalen- 2- olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCC1)cccc2

STK596212
Synonyms: (5E)- 2- (2,4- dichlorophenyl)- 5- (3,4- dimethoxybenzylidene)- 3- (1,3- thiazol- 2- yl)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1cc(ccc1OC)/C=C\1/N=C(N(C1=O)c1nccs1)c1ccc(cc1Cl)Cl

STK596213
Synonyms: 3- benzyl- 1'- butyl- 6- hydroxy- 6'- nitro- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCCCN1c2ccc(cc2CC2(C1CCC)C(=NC(=O)N(C2=O)Cc1ccccc1)O)[N+](=O)[O-]

STK596214
Synonyms: 7- (2- chlorobenzyl)- 6- hydroxy- 3- methyl- 8- (morpholin- 4- ylmethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Clc1ccccc1Cn1c(CN2CCOCC2)nc2c1c(O)nc(=O)n2C

STK596216
Synonyms: 9- (2,4- dimethoxyphenyl)- 2- (ethylsulfanyl)- 6,6- dimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nc2n(n1)C(C1=C(O)CC(CC1=N2)(C)C)c1ccc(cc1OC)OC

STK596217
Synonyms: 5,6- di(furan- 2- yl)- N- (furan- 2- ylmethyl)furo[2,3- d]pyrimidin- 4- amine
Smiles: c1coc(c1)CNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1

STK596219
Synonyms: N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)methanesulfonamide
Smiles: CC(CN(S(=O)(=O)C)Cc1cc2ccc(cc2[nH]c1=O)C)C

STK596220
Synonyms: 4- [({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)methyl]benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK596221
Synonyms: 5- [5- (3- hydroxy- 4- methoxyphenyl)pyrazolidin- 3- ylidene]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1O)C1NNC(=C2C(=O)N(C)C(=O)N(C2=O)C)C1

STK596222
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK596223
Synonyms: N- (4- chloro- 2- methylphenyl)- 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(cc1C)Cl

STK596226
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1COc1ccccc1

STK596227
Synonyms: 2- [(1H- benzimidazol- 2- ylmethyl)sulfanyl]- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nc2c(c1=O)cccc2

STK596228
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(cc1)C(CC)C

STK596229
Synonyms: 9- (4- fluorophenyl)- 1- methyl- 3- (3- methylbenzyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: Fc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)C

STK596231
Synonyms: N'- [(1E)- 1- (3- aminophenyl)ethylidene]- 5- (4- ethoxyphenyl)- 1H- pyrazole- 3- carbohydrazide
Smiles: CCOc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C(/c1cccc(c1)N)\C

STK596232
Synonyms: 6,7- diamino- 3,3- dimethyl- 8- thioxo- 3,4,7,8- tetrahydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c2CC(C)(C)OCc2c(=S)n(c1N)N

STK596233
Synonyms: 3- [(2,6- difluorobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1Cc1cccs1)SCc1c(F)cccc1F

STK596234
Synonyms: 4- {[(E)- (2,5- dimethoxyphenyl)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(OC)ccc1OC

STK596235
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- chlorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1COc1ccc(cc1)Cl

STK596236
Synonyms: 3- [(1- ethylpyrrolidin- 2- yl)methyl]- 7- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCN1CCCC1Cn1cnc2c(c1=O)[nH]c1c2ccc(c1)C

STK596238
Synonyms: (1S,2S)- N'- [(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]- 2- phenylcyclopropanecarbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1O

STK596239
Synonyms: 3- (4- chlorophenyl)- 2- oxo- 2H- chromen- 7- yltrans- 4- {[(tert- butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Smiles: O=C(OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1ccc(cc1)Cl

STK596241
Synonyms: methyl6- ({2- [(3- chloro- 4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- chlorophenyl)- 5- cyano- 2- hydroxy- 3,4- dihydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C)O

STK596242
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)- 5- (3- propoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK596245
Synonyms: tert- butyl{(2R)- 1- [4- ({2- [(4- fluorobenzyl)amino]- 2- oxoethyl}carbamoyl)piperidin- 1- yl]- 1- oxo- 3- phenylpropan- 2- yl}carbamate
Smiles: O=C(NCc1ccc(cc1)F)CNC(=O)C1CCN(CC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

STK596246
Synonyms: N- (4- methoxyphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OC)nnc1COc1ccccc1

STK596248
Synonyms: 2- (2,3- dihydro- 1,4- benzodioxin- 6- ylsulfonyl)- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2

STK596249
Synonyms: 5- (4- ethoxyphenyl)- N'- [(E)- (2- hydroxyphenyl)methylidene]- 4- methyl- 1H- pyrazole- 3- carbohydrazide
Smiles: CCOc1ccc(cc1)c1[nH]nc(c1C)C(=O)N/N=C/c1ccccc1O

STK596250
Synonyms: 2,2,5- trimethyl- 8- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCOCC1

STK596251
Synonyms: 2- {4- (4- chlorophenyl)- 5- [(2,5- dimethylbenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Clc1ccc(cc1)n1c(nnc1c1ccccn1)SCc1cc(C)ccc1C

STK596252
Synonyms: 2- [(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]acetamide
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cccc2Cl

STK596256
Synonyms: 8- (ethylsulfanyl)- 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCn1c(SCC)nc2c1c(O)nc(=O)n2C

STK596258
Synonyms: (5Z)- 5- [5- (3,4- dimethoxyphenyl)- 1- propanoylpyrazolidin- 3- ylidene]- 6- hydroxy- 3- (2- phenylethyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCC(=O)N1N/C(=C\2/C(=NC(=O)N(C2=O)CCc2ccccc2)O)/CC1c1ccc(c(c1)OC)OC

STK596260
Synonyms: (10aS)- 2- (2- methylphenyl)- 10,10a- dihydroimidazo[1,5- b]isoquinoline- 1,3(2H,5H)- dione
Smiles: O=C1N(C(=O)[C@H]2N1Cc1ccccc1C2)c1ccccc1C

STK596262
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 5- (propan- 2- yl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1ccc(cc1)CSc1nn2c(n1)nc(cc2O)C(C)C

STK596264
Synonyms: 3- (2- oxo- 1,3- benzothiazol- 3(2H)- yl)- N- [(2Z)- 1,3,4- thiadiazol- 2(3H)- ylidene]propanamide
Smiles: O=C(/N=c/1\scn[nH]1)CCn1c(=O)sc2c1cccc2

STK596266
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (3- chloro- 2- methylphenyl)- 7- ethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1C)Cl

STK596267
Synonyms: N- (2,3- dihydroimidazo[2,1- b][1,3]benzothiazol- 6- yl)- 5- methoxy- 3- methyl- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)Nc1ccc2c(c1)n1CCN=c1s2

STK596268
Synonyms: (4Z)- 6- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 4- [(3- methylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1cccc(c1)/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1cccc(c1)Cl

STK596273
Synonyms: 2- methoxy- N- [(2Z)- 3- (3- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: COCC(=O)/N=C/1\SC2C(N1c1cccc(c1)OC)CS(=O)(=O)C2

STK596274
Synonyms: methylN- [(3,5- dichlorophenyl)carbamoyl]- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Cl)cc(c1)Cl

STK596275
Synonyms: 3- (4- methoxyphenyl)- 8- nitro- 1',3'- dipropyl- 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: CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)OC)[N+](=O)[O-]

STK596276
Synonyms: N- (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)acetamide
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)NC(=O)C

STK596278
Synonyms: 4- chloro- N- [(3Z)- 7- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)Cl)/c2c1nc1cc(C)ccc1c2

STK596279
Synonyms: 1'- butyl- 3- (2,4- dimethylphenyl)- 6- hydroxy- 6'- nitro- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCCC1N(CCCC)c2ccc(cc2CC21C(=NC(=O)N(C2=O)c1ccc(cc1C)C)O)[N+](=O)[O-]

STK596281
Synonyms: N- (3- methoxypropyl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- amine
Smiles: COCCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C

STK596282
Synonyms: (4E)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- (4- methylphenyl)- 5- (4- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc(cc1)C)/O

STK596283
Synonyms: 2- (4- oxoquinazolin- 3(4H)- yl)- N- (pyridin- 3- yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1cccnc1

STK596284
Synonyms: 4,5,6- trimethoxy- N- (2- phenylethyl)- 1H- indole- 2- carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)NCCc1ccccc1

STK596285
Synonyms: 2- hydroxy- 3- {[(E)- (3- hydroxyphenyl)methylidene]amino}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/c1cccc(c1)O)O

STK596286
Synonyms: 7- ethyl- 6- hydroxy- 3- methyl- 8- [4- (3- methylbenzyl)piperazin- 1- yl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1cccc(c1)C

STK596287
Synonyms: 1- [(8- propyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)amino]propan- 2- ol
Smiles: CCCN1CCc2c(C1)sc1c2c(NCC(O)C)nc2n1nnn2

STK596288
Synonyms: 5- {[2- (pyridin- 2- yl)- 1H- benzimidazol- 1- yl]methyl}- 4- [2- (trifluoromethyl)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccccc1C(F)(F)F)Cn1c(nc2c1cccc2)c1ccccn1

STK596289
Synonyms: 2- (4- chlorophenyl)- N- [(2E)- 5,5- dioxido- 3- (prop- 2- en- 1- yl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: C=CCN1/C(=N\C(=O)Cc2ccc(cc2)Cl)/SC2C1CS(=O)(=O)C2

STK596290
Synonyms: N- (3- methylphenyl)- 1- (4- methylphenyl)- 4- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1cccc(c1)C)cc3c1ccccc1

STK596291
Synonyms: N- [(2E)- 3- (1,3- benzodioxol- 5- ylmethyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK596292
Synonyms: 2- [2- amino- 5- (4- chlorophenyl)- 6- methylpyrimidin- 4- yl]- 5- [(2- chlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)nc(nc1c1ccc(cc1O)OCc1ccccc1Cl)N

STK596293
Synonyms: (5E)- 6- hydroxy- 3- (4- methoxyphenyl)- 5- {1- [(tetrahydrofuran- 2- ylmethyl)amino]ethylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCC2CCCO2)/C)/C1=O)O

STK596296
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK596299
Synonyms: N- [(2Z)- 5,5- dioxido- 3- (2,4,6- trimethylphenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: Cc1cc(C)c(c(c1)C)N1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK596301
Synonyms: 6- ethyl- 10- methyl- 3- [3- (trifluoromethyl)phenyl]- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1cccc(c1)C(F)(F)F

STK596302
Synonyms: (3R,3'S,5'R)- 5'- (2- amino- 2- oxoethyl)- N- (2,5- dimethoxyphenyl)- 5- 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(C)cc1)CC(=O)N)OC

STK596305
Synonyms: N'- [(E)- (4- ethoxyphenyl)methylidene]- 4,6- dimethoxy- 1H- indole- 2- carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)cc(cc2OC)OC

STK596306
Synonyms: N- [4- chloro- 2- (phenylcarbonyl)phenyl]- 2- {[3- cyano- 4- (furan- 2- yl)- 5- hydroxy- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C(=O)c2ccccc2)Cl)N=C2C(=C(O)CCC2)C1c1ccco1

STK596307
Synonyms: (4E)- 5- (4- ethoxyphenyl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 1- (6- methoxy- 1,3- benzothiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

STK596308
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N,N- diethylacetamide
Smiles: CCN(C(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C)CC

STK596309
Synonyms: 6- amino- 4- (3,4- dimethoxyphenyl)- 3- methyl- 1- (4- methylphenyl)- 1H- pyrazolo[3,4- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1ccc(c(c1)OC)OC)c(C)nn2c1ccc(cc1)C

STK596310
Synonyms: 3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- pentylpropanamide
Smiles: CCCCCNC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK596311
Synonyms: N- [3- (3,4- dichlorophenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]thiophene- 2- carboxamide
Smiles: O=C(c1cccs1)Nc1c(c2ccc(c(c2)Cl)Cl)c(=O)c2c(n1C)cccc2

STK596312
Synonyms: methyl4- [(3E)- 3- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4,5- dioxopyrrolidin- 2- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK596314
Synonyms: 1- methyl- 3- nitro- 4- (thiomorpholin- 4- yl)quinolin- 2(1H)- one
Smiles: [O-][N+](=O)c1c(N2CCSCC2)c2ccccc2n(c1=O)C

STK596315
Synonyms: 1'- hexyl- 2'- hydroxy- 12- methyl- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: CCCCCCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C)O

STK596316
Synonyms: 7- hydrazinyl- 5- methyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidine
Smiles: NNc1cc(C)nc2n1ncc2c1ccc(cc1)C

STK596317
Synonyms: 2- ethyl- 3- (4- methylphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCc1nc2oc3ccccc3c(=O)c2c(=O)n1c1ccc(cc1)C

STK596319
Synonyms: 3- [(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]propanamide
Smiles: NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2cccc1

STK596320
Synonyms: N- (4- chlorophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK596321
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1cccc(c1)C

STK596322
Synonyms: 2- {[2- (3- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- 1- (piperidin- 1- yl)ethanone
Smiles: COc1cccc(c1)c1nc(SCC(=O)N2CCCCC2)c2c(n1)CC(OC2)(C)C

STK596323
Synonyms: 3- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1c1cccc(c1)OC

STK596324
Synonyms: 3- (4- chlorophenyl)- 4- ethyl- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: CCn1c(SC/C=C/c2ccccc2)nnc1c1ccc(cc1)Cl

STK596325
Synonyms: (4E)- 2- (4- methylphenyl)- 4- {[(pyridin- 2- ylmethyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/NCc2ccccn2)/c2c(C1=O)cccc2

STK596326
Synonyms: 2- ({6- cyano- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl}sulfanyl)- N- phenylacetamide
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)Nc3ccccc3)nnc2c2c1CC(C)(C)OC2

STK596328
Synonyms: 3- [3- (morpholin- 4- yl)- 3- oxopropyl]- 1,2,3- benzotriazin- 4(3H)- one
Smiles: O=C(N1CCOCC1)CCn1nnc2c(c1=O)cccc2

STK596329
Synonyms: N- [(2E)- 3- (1,3- benzodioxol- 5- ylmethyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: O=C(C1CCCO1)/N=C\1/SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2