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

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STK557052
Synonyms: 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- phenylpropanamide
Smiles: CC(=C)Cn1c(SC(C(=O)Nc2ccccc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557053
Synonyms: 9- (benzylsulfanyl)- 7- chloro- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Clc1nc(SCc2ccccc2)nc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK557055
Synonyms: 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK557056
Synonyms: N~4~- (2- fluorophenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1ccccc1Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK557057
Synonyms: (3S,3'S,3a'S,6a'R)- 5'- (3- nitrophenyl)- 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([C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)C

STK557058
Synonyms: 3- {5- [(3- bromobenzyl)sulfanyl]- 4- (4- bromophenyl)- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)Br)nnc1c1cccnc1

STK557059
Synonyms: 5- (naphthalen- 1- yl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2C(c3ccc(cc3)[N+](=O)[O-])N(OC2C(=O)N1c1cccc2c1cccc2)c1ccccc1

STK557062
Synonyms: (8S,8aR,11aS,11bS)- 10- [4- chloro- 3- (trifluoromethyl)phenyl]- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(c(c1)C(F)(F)F)Cl)c1ccccc1

STK557063
Synonyms: N- {2- [(3- cyano- 4,5,6,7,8,9- hexahydrocycloocta[b]thiophen- 2- yl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}- 2- phenylacetamide
Smiles: N#Cc1c(sc2c1CCCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)Cc1ccccc1

STK557064
Synonyms: 3- [(4- methyl- 3- nitrophenyl)sulfonyl]- 2- (4- methylphenyl)- 1,3- thiazolidine
Smiles: Cc1ccc(cc1)C1SCCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C

STK557066
Synonyms: (5Z)- 5- {[5- (2- chloro- 4- nitrophenyl)furan- 2- yl]methylidene}- 2- (4- methylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/S1

STK557068
Synonyms: 10- ethyl- 10- methyl- 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=C)C)nn2)CC(OC3)(C)CC

STK557069
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(3- phenylpropyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(SCCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK557070
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- [(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1O

STK557071
Synonyms: 3- (4- chlorophenyl)- 6- methyl- 2- (morpholin- 4- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC1CCc2c(C1)c1c(s2)nc(n(c1=O)c1ccc(cc1)Cl)N1CCOCC1

STK557072
Synonyms: 6- tert- butyl- 3- (3- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)C(C)(C)C

STK557073
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 6- iodo- 2- [(E)- 2- (4- methoxyphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])I

STK557074
Synonyms: methyl{[5- (benzylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK557075
Synonyms: 2- amino- 1- [2- (4- fluorophenyl)ethyl]- N- (3- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Fc1ccc(cc1)CCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cccc(c1)C

STK557077
Synonyms: (8R,8aS,11aR)- 10- (4- acetylphenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=C1)C(=O)C(C)(C)C

STK557078
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nnc1c1cccnc1

STK557080
Synonyms: methyl5- bromo- 3- {[(2,6- difluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1c(F)cccc1F)cc(cc2)Br

STK557081
Synonyms: 3- phenyl- N- (2- phenylethyl)- 3- [4- (propan- 2- yloxy)phenyl]propanamide
Smiles: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)NCCc1ccccc1)C

STK557082
Synonyms: N- cyclopentyl- 2- imino- 10- methyl- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CC(OCCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NC1CCCC1)C

STK557083
Synonyms: N~4~- cyclohexyl- N~2~- (2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)Nc1ccccc1F

STK557084
Synonyms: N- (3- chlorophenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557085
Synonyms: N- cyclohexyl- 2- (2,6- dimethylmorpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1OC(C)CN(C1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK557086
Synonyms: 2- methyl- 7- {[3- (4- methylpiperidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK557087
Synonyms: 2- (benzylsulfanyl)- N- (2- methoxyethyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCNc1nc(SCc2ccccc2)nc2c1c1CCCc1s2

STK557088
Synonyms: 5- (naphthalen- 1- yl)- 2- phenyl- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2ON(C(C2C(=O)N1c1cccc2c1cccc2)c1cccnc1)c1ccccc1

STK557090
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (2- methylpropyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CC(Cn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C

STK557091
Synonyms: 2- (benzylamino)- 4- (4- methoxyphenyl)- 6- oxo- N- phenylcyclohex- 1- ene- 1- carbothioamide
Smiles: COc1ccc(cc1)C1CC(=C(C(=O)C1)C(=S)Nc1ccccc1)NCc1ccccc1

STK557092
Synonyms: dicyclohexyl[hydroxy(phenyl)methyl]phosphonate
Smiles: OC(P(=O)(OC1CCCCC1)OC1CCCCC1)c1ccccc1

STK557093
Synonyms: (6aR,6bS,9aR,10S)- 10- (furan- 2- ylcarbonyl)- 8- (3- nitrophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3

STK557095
Synonyms: 1- [(2- chlorobenzyl)sulfanyl]- 4- (3- chlorophenyl)- 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2SCc1ccccc1Cl

STK557096
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (1- phenylethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)n(c(=O)n2C)C

STK557098
Synonyms: 7- methoxy- 3- (pyridin- 3- ylmethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1cccnc1

STK557100
Synonyms: 6,6- diethyl- 12- propyl- 9- (propylsulfanyl)- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCCSc1nnc2n1c(=O)c1c(n2CCC)c2ccccc2CC1(CC)CC

STK557101
Synonyms: 6- (3- bromophenyl)- 3- cyclohexyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2C1CCCCC1

STK557103
Synonyms: N~4~- (3- chlorophenyl)- N~2~- (3- methoxypropyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK557104
Synonyms: ethyl3- {[(2E)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]amino}- 5- chloro- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)cc(cc2)Cl

STK557105
Synonyms: 2- {[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)CC

STK557106
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)Cl

STK557107
Synonyms: (6E)- 5- imino- 6- [4- (methylsulfanyl)benzylidene]- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CSc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK557108
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc3c2cccc3)c2c(n1)sc1c2CC(OC1)(C)C

STK557109
Synonyms: 3- butyl- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK557113
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- N- (2- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C

STK557114
Synonyms: 3- (2- chlorophenyl)- 5- (3,4- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1ON(C2c1ccccc1Cl)c1ccccc1

STK557115
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1cc(OC)ccc1OC

STK557116
Synonyms: 6- (3- bromophenyl)- 3- (furan- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccco1

STK557118
Synonyms: N~2~- (3- methoxyphenyl)- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: COc1cccc(c1)Nc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK557119
Synonyms: 2- ({[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: Cc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccc(cc1)Cl

STK557120
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK557121
Synonyms: 5- (4- fluorophenyl)- 3- (2- hydroxy- 3- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cccc(c1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)F

STK557122
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK557123
Synonyms: 6- ethyl- 6- methyl- 12- (3- methylbutyl)- 9- [(3- methylbutyl)sulfanyl]- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2CCC(C)C)nnc1SCCC(C)C

STK557125
Synonyms: N- (3- methoxypropyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK557126
Synonyms: N~4~- cyclohexyl- N~2~- [3- (dimethylamino)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-])C

STK557127
Synonyms: 8- {[2- (dimethylamino)ethyl]amino}- 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN(CCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C)C

STK557128
Synonyms: 6- [(5Z)- 5- ({2- [(2- hydroxy- 2- phenylethyl)amino]- 4- oxo- 4H- pyrido[1,2- a]pyrimidin- 3- yl}methylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STK557129
Synonyms: (6Z)- 2- (benzylsulfanyl)- 6- ({1- [3- (2,3- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)CCCOc1cccc(c1C)C)SCc1ccccc1

STK557130
Synonyms: 3- [({[(2E)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- ylidene]amino}oxy)carbonyl]- 2H- chromen- 2- one
Smiles: O=C(c1cc2ccccc2oc1=O)O/N=C/1\CC2C(C1(C)CC2)(C)C

STK557131
Synonyms: methylN- {[4- (pentafluorophenoxy)phenyl]carbamoyl}- D- tryptophanate
Smiles: COC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F

STK557132
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 4- methoxyphenyl}methylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1CSC1=NCCS1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK557133
Synonyms: N- (3- chlorophenyl)- 2- [3- (3- chlorophenyl)- 6,6- dimethyl- 2,4- dioxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]acetamide
Smiles: Clc1cccc(c1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CC(OC3)(C)C

STK557134
Synonyms: 3- ethyl- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK557135
Synonyms: 3- methyl- 7- {[3- (4- methylpiperazin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CN1CCN(CC1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK557136
Synonyms: (5Z)- 5- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- (4- methylpiperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CC1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)Cl)/S1

STK557137
Synonyms: 2- (azepan- 1- yl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCCCCC1

STK557138
Synonyms: (2Z)- 2- cyano- 2- [(5E)- 5- (2,3- dimethoxybenzylidene)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- (3- methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cccc(c2OC)OC)/c(=O)n1c1ccccc1C)/C(=O)Nc1cccc(c1)C

STK557139
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (3- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)C)OC

STK557140
Synonyms: ethyl3- {[hydroxy(diphenyl)acetyl]amino}- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)cc(c(c2)OC)OC

STK557141
Synonyms: (6E)- 6- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccc(c(c3)Cl)Cl)/C2=N)s1

STK557142
Synonyms: 2,5- diphenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1ccncc1)N(O2)c1ccccc1

STK557143
Synonyms: 2- (4- methylpiperazin- 1- yl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]

STK557144
Synonyms: 2- [(E)- 2- (1,3- benzodioxol- 5- yl)ethenyl]- 3- (2,4- dimethylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc3c(c2)OCO3)nc2c(c1=O)cccc2

STK557145
Synonyms: 1- (2,4- dichlorophenyl)- 2- (1H- 1,2,4- triazol- 1- yl)ethanol
Smiles: Clc1ccc(c(c1)Cl)C(Cn1cncn1)O

STK557146
Synonyms: 3- methyl- 7- {[3- (4- methylpiperidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCN(CC1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK557147
Synonyms: 6- (4- chlorophenyl)- 3- (3- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)Cl

STK557149
Synonyms: 3- (3- chlorophenyl)- 1- [2- (4- chlorophenyl)- 2- oxoethyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3

STK557150
Synonyms: ethyl(1'S,2'S)- 2'- (furan- 2- yl)- 1,3- dioxo- 1,1',2',3- tetrahydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxylate
Smiles: CCOC(=O)[C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1c1ccco1)C(=O)c1c(C2=O)cccc1

STK557151
Synonyms: N- [2,2- dimethyl- 5- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]ethane- 1,2- diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK557154
Synonyms: ethyl3- ({[1- (4- methylphenyl)cyclopropyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cccc2

STK557155
Synonyms: 2,3- dimethoxy- 6- [5- (4- methylphenyl)- 4,6- dioxo- 2- phenylhexahydro- 2H- pyrrolo[3,4- d][1,2]oxazol- 3- yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1

STK557156
Synonyms: 3- (furan- 2- yl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1coc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557157
Synonyms: 1- [(2- chlorobenzyl)sulfanyl]- 4- (4- chlorophenyl)- 7- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCc3ccccc3Cl)nnc2n(c1=O)c1ccc(cc1)Cl

STK557161
Synonyms: 7- methoxy- 4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: COc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK557162
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- acetylphenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)Nc1ccccc1

STK557164
Synonyms: 3- [6- (4- ethylphenoxy)hexyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCc1ccc(cc1)OCCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK557165
Synonyms: N- (2- methoxyethyl)- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCSc1nc(NCCOC)c2c(n1)sc1c2CC(OC1)(C)C

STK557166
Synonyms: N- [4- chloro- 3- (trifluoromethyl)phenyl]- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK557167
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- N'- [(E)- pyridin- 3- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccnc1)C

STK557169
Synonyms: (6Z)- 6- [3,5- dimethoxy- 4- (2- phenoxyethoxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccccc1)OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557171
Synonyms: 3- (2,4- dichlorophenyl)- 7- phenyl- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NOC2(C1)CC(=O)N(C2=O)c1ccccc1

STK557172
Synonyms: 2- {[5- (benzylsulfanyl)- 10,10- dimethyl- 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: O=C(Nc1ccccc1C)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1

STK557173
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- [(E)- 2- (4- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: O=c1n(c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c1cccc2)c1ccc(cc1Cl)[N+](=O)[O-]

STK557174
Synonyms: (6Z)- 5- imino- 6- (4- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557175
Synonyms: N- (9- ethyl- 9H- carbazol- 3- yl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK557177
Synonyms: methyl3- ({3- [4- (2- fluorophenyl)piperazin- 1- yl]propanoyl}amino)- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1F)ccc(c2)OC

STK557178
Synonyms: 2- (benzylsulfanyl)- N- (2- methoxyethyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCNc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK557179
Synonyms: ethylN- ({[3- (4- ethoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OCC)CCCC3

STK557180
Synonyms: 5- ethyl- 2- hydrazinyl- 3,5- dimethyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)NN)C

STK557181
Synonyms: ethyl1- (4- methylphenyl)- 2- [(phenylcarbonyl)amino]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2)n(c2c1nc1ccccc1n2)c1ccc(cc1)C

STK557182
Synonyms: 1- (3,4- dichlorophenyl)- 2- (thiophen- 2- yl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: Clc1cc(ccc1Cl)n1c(nc2c1nc1ccccc1n2)c1cccs1

STK557184
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)C(CC)C

STK557186
Synonyms: 2- (4- chlorophenyl)- 3- {2- [2- (3- methylphenoxy)ethoxy]ethyl}quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1cccc(c1)C

STK557187
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK557188
Synonyms: (5Z)- 5- {[5- (4- chloro- 2- nitrophenyl)furan- 2- yl]methylidene}- 2- (4- methylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2[N+](=O)[O-])Cl)/S1

STK557189
Synonyms: (6Z)- 6- {[1- (2- fluorobenzyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)Cc3ccccc3F)/C2=N)s1

STK557190
Synonyms: 3- (3- ethoxyphenyl)- 6- (thiophen- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1cccs1

STK557191
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (3- nitrophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK557192
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1cccc(c1)Br

STK557193
Synonyms: 2- (azepan- 1- yl)- 6- (4- methylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK557194
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/C=C/c1ccccc1

STK557195
Synonyms: 3- [4- (4- tert- butyl- 2- methylphenoxy)butyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(cc1C)C(C)(C)C

STK557197
Synonyms: diethyl3- methyl- 3'- nitro- 5- (phenylamino)biphenyl- 2,6- dicarboxylate
Smiles: CCOC(=O)c1c(Nc2ccccc2)cc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OCC)C

STK557198
Synonyms: N~4~- (3- chlorophenyl)- N~2~- [3- (dimethylamino)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-])C

STK557199
Synonyms: 2- [(4- amino- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1

STK557203
Synonyms: 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK557204
Synonyms: 2- [(4- bromobenzyl)sulfanyl]- 3- ethyl- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: CCn1c(SCc2ccc(cc2)Br)nc2c(c1=O)cc1c(n2)CCCC1

STK557205
Synonyms: 5- benzyl- 3- (4- tert- butylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(Cc2ccccc2)C(=O)C2C1C(c1ccc(cc1)C(C)(C)C)N(O2)c1ccccc1

STK557206
Synonyms: (2Z)- 2- cyano- 2- [(5E)- 5- (4- methylbenzylidene)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- (2- methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccc(cc2)C)/c(=O)n1c1ccccc1C)/C(=O)Nc1ccccc1C

STK557207
Synonyms: 2- (4- methylpiperazin- 1- yl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK557208
Synonyms: 2- [(4- methylphenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK557209
Synonyms: ethyl5,6- dimethoxy- 3- {[(2E)- 2,3,4,5,5- pentachloropenta- 2,4- dienoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)cc(c(c2)OC)OC

STK557210
Synonyms: (3aR,4S,8aR,8bS)- 2- (4- bromophenyl)- 4- [(4- methoxyphenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2CCC[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br

STK557211
Synonyms: 3- (2,4- dichlorophenyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(c(c1)Cl)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557212
Synonyms: 2- ({[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: Brc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccncc1

STK557213
Synonyms: 2,2- dimethyl- N- (1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)propanamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)C(C)(C)C

STK557214
Synonyms: 11- (ethylsulfanyl)- 1- (pentylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[4,3- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCCCSc1nnc2n1c(SCC)nc1c2C2(CCCC2)Cc2c1cccc2

STK557215
Synonyms: 4- [(2E)- 2- (1H- indol- 3- ylmethylidene)hydrazinyl]- N- (4- methoxyphenyl)- 4- oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1c[nH]c2c1cccc2

STK557216
Synonyms: (6Z)- 6- {3- chloro- 4- [(3- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557217
Synonyms: 4- ({(4aS,4bR,7aS,8R)- 5,7- dioxo- 6- [2- (trifluoromethyl)phenyl]- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F

STK557218
Synonyms: (2Z)- 2- [(5E)- 5- (2- chlorobenzylidene)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- phenylethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2Cl)/c(=O)n1c1ccccc1C)/C(=O)Nc1ccccc1

STK557221
Synonyms: 2- (benzylsulfanyl)- 6,6- dimethyl- 4- (prop- 2- en- 1- ylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: C=CCSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK557223
Synonyms: N- (3- chlorophenyl)- 2- {[3- (3- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557224
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (naphthalen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc2c(c1)cccc2)\C

STK557225
Synonyms: N~4~- cyclohexyl- N~2~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)NC1CCCCC1)[N+](=O)[O-]

STK557226
Synonyms: 2- {[2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]amino}ethanol
Smiles: OCCNc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557227
Synonyms: N- (2- methoxyethyl)- 2,2- dimethyl- 5- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK557229
Synonyms: 4- (2- methylpropyl)- 9- (methylsulfanyl)- 7- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1nc(N2CCOCC2)c2c(n1)c1c(s2)nc(c2c1CCC2)CC(C)C

STK557230
Synonyms: (4aR,4bS,7aR,8S)- 6- (3,5- dichlorophenyl)- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=CC=C1

STK557231
Synonyms: 2- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2)NCCc1ccccc1

STK557232
Synonyms: 3- [(2,4- dichlorobenzyl)sulfanyl]- 10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1Cl)Cl)nn2)CC(OC3)(C)CC

STK557233
Synonyms: (6Z)- 5- imino- 6- {4- [(3- methylbenzyl)oxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557235
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 6- iodo- 2- {(E)- 2- [4- (propan- 2- yl)phenyl]ethenyl}quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)C(C)C)c1ccc(cc1Cl)[N+](=O)[O-]

STK557236
Synonyms: 3- (2- chloroquinolin- 3- yl)- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl

STK557237
Synonyms: N,N- diethyl- N'- [4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]ethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1)CC

STK557240
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (4- methylphenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C(/c1ccc(cc1)C)\C

STK557243
Synonyms: N- (4- bromo- 2- fluorophenyl)- 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1F)Br)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK557245
Synonyms: (2Z)- 2- cyano- 2- [(5E)- 5- (furan- 2- ylmethylidene)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- phenylethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccco2)/c(=O)n1c1ccccc1C)/C(=O)Nc1ccccc1

STK557247
Synonyms: 7- (4- chlorophenyl)- 3- (2,4- dichlorophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1Cl)Cl

STK557249
Synonyms: (4Z)- 4- (3- chloro- 4- nitrobenzylidene)- 2- (4- fluorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: Fc1ccc(cc1)C1=N/C(=C\c2ccc(c(c2)Cl)[N+](=O)[O-])/C(=O)O1

STK557250
Synonyms: N- (3- chlorophenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557251
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (3- fluorophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F

STK557252
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(2- chlorophenyl)carbonyl]- 3'- (2,2- dimethylpropanoyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Clc1ccccc1C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C

STK557253
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- fluorophenyl)- 10- (furan- 2- ylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK557254
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK557256
Synonyms: 6- (4- ethylpiperazin- 1- yl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK557257
Synonyms: 1- (5- methoxy- 1H- indol- 3- yl)- 2- {4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}ethanol
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCN(CC1)C/C=C/c1ccccc1)O

STK557260
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- nitrophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557261
Synonyms: (6Z)- 6- {4- [(2- fluorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557263
Synonyms: 6,6- dimethyl- 4- [(3- methylbutyl)sulfanyl]- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCCC(C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK557264
Synonyms: 9- (3- chlorophenyl)- 2,2- dimethyl- 5- (morpholin- 4- yl)- 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)n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557265
Synonyms: (5Z)- 3- [4- chloro- 2- (trifluoromethyl)phenyl]- 5- (3- fluorobenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Clc1ccc(c(c1)C(F)(F)F)N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK557266
Synonyms: 2- imino- 1- (4- methylbenzyl)- N- [2- (morpholin- 4- yl)ethyl]- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: Cc1ccc(cc1)Cn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCCN1CCOCC1

STK557268
Synonyms: 4- [(2- fluorobenzyl)sulfanyl]- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccccc2F)c2c(n1)sc1c2CC(OC1)(C)C

STK557270
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK557271
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CC(=C)Cn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557274
Synonyms: N'- [(E)- (4- bromophenyl)methylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)Br

STK557276
Synonyms: methyl3- {[hydroxy(diphenyl)acetyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)ccc(c2)OC

STK557277
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- 1- phenylethanone
Smiles: CCCSc1nc(SCC(=O)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK557278
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)C

STK557279
Synonyms: 2- {[6- iodo- 3- (3- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK557280
Synonyms: N- carbamoyl- 4- ({(Z)- 2- cyano- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK557281
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 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- (4- methylphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C)nn2)CC(OC3)(C)CC

STK557282
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (4- nitrophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK557284
Synonyms: diethyl[(4- methylphenyl)(phenylamino)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccc(cc1)C)Nc1ccccc1)OCC

STK557285
Synonyms: N'- [(E)- {4- [(3,4- dichlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nc(cc2C)C)ccc1OCc1ccc(c(c1)Cl)Cl

STK557286
Synonyms: (2'S,3'R,4R)- 3'- (2,2- dimethylpropanoyl)- 2'- (4- methoxyphenyl)- 2- phenyl- 2',3'- dihydro- 10b'H- spiro[1,3- oxazole- 4,1'- pyrrolo[2,1- a]phthalazin]- 5- one
Smiles: COc1ccc(cc1)[C@H]1[C@@H](N2C([C@@]31N=C(OC3=O)c1ccccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK557288
Synonyms: 1- (butylsulfanyl)- 11- (ethylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[4,3- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCCSc1nnc2n1c(SCC)nc1c2C2(CCCC2)Cc2c1cccc2

STK557289
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (2- chlorophenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557290
Synonyms: 7- {[3- (3,4- dihydroisoquinolin- 2(1H)- yl)propyl]amino}- 3- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCc3c(C1)cccc3)c(=O)c1c(c2=O)cccc1

STK557291
Synonyms: 4- [(2,4- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2Cl)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK557292
Synonyms: 6- (3- ethoxyphenyl)- 3- phenyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccccc1

STK557293
Synonyms: 3- (4- chlorophenyl)- 2- [(2- methoxyethyl)amino]- 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CC(CC3)C

STK557294
Synonyms: N- (2- chlorophenyl)- 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK557295
Synonyms: 3- (3- chlorophenyl)- 7- methyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 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)SCC(=O)c1ccccc1)c1cccc(c1)Cl

STK557296
Synonyms: 3- [(3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)amino]phenyl4- fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)Oc1cccc(c1)NC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK557298
Synonyms: 3- (2,4- dimethylphenyl)- 6- iodo- 2- [(E)- 2- (thiophen- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccs2)nc2c(c1=O)cc(cc2)I

STK557299
Synonyms: 2- [(5Z)- 5- ({3- [3- (benzyloxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]ethanesulfonicacid
Smiles: S=C1S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/C(=O)N1CCS(=O)(=O)O

STK557300
Synonyms: (6Z)- 6- [4- (dimethylamino)benzylidene]- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)N(C)C)/C2=N)s1

STK557302
Synonyms: 3- (2,4- dimethylphenyl)- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK557304
Synonyms: N'- [(1E)- 1- (4- bromophenyl)ethylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C(/c1ccc(cc1)Br)\C

STK557305
Synonyms: 7- methoxy- 3- {[(E)- (4- methylphenyl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)C

STK557306
Synonyms: 12- methyl- 9- (methylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: CSc1nnc2n1c(=O)c1c(n2C)c2ccccc2CC21CCCC2

STK557307
Synonyms: (6Z)- 5- imino- 6- [(2- methyl- 1H- indol- 3- yl)methylidene]- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1c(C)[nH]c2c1cccc2)c1cccnc1

STK557308
Synonyms: 2- {[4- (3- chlorophenyl)- 7,7- dimethyl- 5- oxo- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C)NCCc1ccccc1

STK557309
Synonyms: N'- [(E)- (3- methoxy- 4- propoxyphenyl)methylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK557310
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK557311
Synonyms: 5- (4- chlorophenyl)- 7- (4- nitrophenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1ccc(cc1)[N+](=O)[O-]

STK557313
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: [O-][N+](=O)c1ccc(c(c1)Cl)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK557314
Synonyms: ethyl{[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetate
Smiles: CCCSc1nc(SCC(=O)OCC)c2c(n1)sc1c2CC(OC1)(C)CC

STK557315
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 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- (naphthalen- 1- yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1cccc4c1cccc4)nn2)CC(OC3)(C)CC

STK557316
Synonyms: (2Z)- 2- cyano- N- (4- methylphenyl)- 2- {(5E)- 3- (2- methylphenyl)- 4- oxo- 5- [2- (propan- 2- yloxy)benzylidene]- 1,3- thiazolidin- 2- ylidene}ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2OC(C)C)/c(=O)n1c1ccccc1C)/C(=O)Nc1ccc(cc1)C

STK557317
Synonyms: (6E)- 5- imino- 6- [4- (methylsulfanyl)benzylidene]- 2- [2- (morpholin- 4- yl)- 2- oxoethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CSc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK557318
Synonyms: 6- (biphenyl- 4- yl)- 3- (3- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK557319
Synonyms: N- (4- acetylphenyl)- 2- [3- (3- chlorophenyl)- 6,6- dimethyl- 2,4- dioxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]acetamide
Smiles: O=C(Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CC(OC3)(C)C)Nc1ccc(cc1)C(=O)C

STK557320
Synonyms: methyl6- methoxy- 3- [(prop- 2- en- 1- ylcarbamothioyl)amino]- 1H- indole- 2- carboxylate
Smiles: C=CCNC(=S)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK557321
Synonyms: (6Z)- 6- {4- [(2- chlorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1ccccc1Cl)c1cccnc1

STK557322
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 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- (3- methylphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1cccc(c1)C)nn2)CC(OC3)(C)CC

STK557323
Synonyms: 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3- phenyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: O=C(c1cccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK557324
Synonyms: (4- methoxyphenyl)[(2- methoxyphenyl)amino]acetonitrile
Smiles: COc1ccc(cc1)C(Nc1ccccc1OC)C#N

STK557325
Synonyms: 8- [(dibenzylamino)methyl]- 1,3- dimethyl- 7- (3- oxobutan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=O)C(n1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK557326
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(1E)- 1- phenylpropylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)Cn1nc(cc1C)C)/c1ccccc1

STK557327
Synonyms: N- benzyl- 2- [(8,8- dimethyl- 4- oxo- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK557329
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- [(E)- pyridin- 3- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1cccnc1

STK557331
Synonyms: (2'R,3'R)- 3'- acetyl- 2'- (furan- 2- yl)- 2,2- dimethyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccco1)C(=O)OC(OC2=O)(C)C)cccc3

STK557332
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(2- chlorophenyl)carbonyl]- 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)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3)c1cccc(c1)[N+](=O)[O-]

STK557333
Synonyms: 1- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]amino}propan- 2- ol
Smiles: CC(CNc1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)O

STK557336
Synonyms: 5- (2,6- dichlorophenyl)- 2,3- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1)Cl

STK557337
Synonyms: (5Z)- 5- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- (piperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCCCC1

STK557338
Synonyms: (6Z)- 6- {3- chloro- 4- [(2- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1ccccc1F)c1cccnc1

STK557339
Synonyms: 2- ethyl- 2- methyl- 5- (morpholin- 4- yl)- N- [2- (morpholin- 4- yl)ethyl]- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCN1CCOCC1

STK557340
Synonyms: N'- [(E)- (5- bromo- 2- methoxyphenyl)methylidene]- 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br)Br

STK557342
Synonyms: (2E)- N- ({2- [(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]hydrazinyl}carbonothioyl)- 3- phenylprop- 2- enamide
Smiles: S=C(NC(=O)/C=C/c1ccccc1)NNC(=O)c1c(C)onc1c1ccccc1

STK557345
Synonyms: (6aR,6bS,9aR,10S)- 8- cyclohexyl- 10- [(3- nitrophenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)C1CCCCC1)c1cccc(c1)[N+](=O)[O-]

STK557346
Synonyms: 2- [3- (3- chlorophenyl)- 2,4- dioxo- 3,4,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl]- N- (2- phenylethyl)acetamide
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)NCCc1ccccc1

STK557347
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2cccc(c2)Cl)ccc1OC(C)C

STK557349
Synonyms: 2- {[5- (4- tert- butylphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3,4- dichlorophenyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1ccc(cc1)C(C)(C)C

STK557350
Synonyms: 6- iodo- 3- (3- methylphenyl)- 2- {[1- (morpholin- 4- yl)- 1- oxopropan- 2- yl]sulfanyl}quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SC(C(=O)N1CCOCC1)C)c1cccc(c1)C

STK557351
Synonyms: 1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- N- (1,3- thiazol- 2- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1nccs1

STK557352
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 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- phenylethyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)NCCc1ccccc1)nn2)CC(OC3)(C)CC

STK557354
Synonyms: 5- (3,4- dichlorophenyl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2C(c3ccc(cc3)[N+](=O)[O-])N(OC2C(=O)N1c1ccc(c(c1)Cl)Cl)c1ccccc1

STK557355
Synonyms: methyl(8R,8aR,11aS,11bS)- 10- (4- bromophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)Br

STK557357
Synonyms: 4- chloro- N- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NCSc1nc(C)cc(n1)C

STK557358
Synonyms: 8- chloro- 2- ethyl- 2- methyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2Cl

STK557359
Synonyms: 5- nitro- 6- (piperidin- 1- yl)- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCC1CCCO1

STK557360
Synonyms: 6- (azepan- 1- yl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(N2CCCCCC2)c(c(n1)N)[N+](=O)[O-]

STK557361
Synonyms: (2Z)- 2- cyano- N- (4- methylphenyl)- 2- {(5E)- 3- (4- methylphenyl)- 4- oxo- 5- [2- (propan- 2- yloxy)benzylidene]- 1,3- thiazolidin- 2- ylidene}ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2OC(C)C)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1ccc(cc1)C

STK557364
Synonyms: 1,3- dimethyl- 7- (4- methylbenzyl)- 8- [(2E)- 2- (pyridin- 4- ylmethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2ccncc2)nc2c1c(=O)n(c(=O)n2C)C

STK557365
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 4- [(4- nitrobenzyl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(SCc2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CC(OC1)(C)C

STK557366
Synonyms: N- (4- methylphenyl)- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: Cc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccn1

STK557368
Synonyms: N'- {(E)- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]methylidene}- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: C=CCc1cccc(c1O)/C=N/NC(=O)Cn1nccc1C

STK557369
Synonyms: 2- (4- {(1E)- 1- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]ethyl}- 2- methoxyphenoxy)acetamide
Smiles: COc1cc(ccc1OCC(=O)N)/C(=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N)/C

STK557370
Synonyms: 6- cyclohexyl- 3- (3- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1cccc(c1)c1nnc2n1nc(s2)C1CCCCC1

STK557371
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- methoxyquinazolin- 4(3H)- one
Smiles: COn1c(SCc2ccccc2Cl)nc2c(c1=O)cccc2

STK557372
Synonyms: 2- [4- (4- chloro- 3,5- dimethylphenoxy)quinazolin- 2- yl]phenol
Smiles: Oc1ccccc1c1nc(Oc2cc(C)c(c(c2)C)Cl)c2c(n1)cccc2

STK557373
Synonyms: 2- (benzylsulfanyl)- N- cyclohexyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CC1(C)OCc2c(C1)c1c(NC3CCCCC3)nc(nc1s2)SCc1ccccc1

STK557374
Synonyms: 3- (4- tert- butylphenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CC(c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2)(C)C

STK557375
Synonyms: 7- (4- chlorobenzyl)- 8- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK557377
Synonyms: 4- (3- cyclohexyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl)benzene- 1,2- diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2C1CCCCC1

STK557378
Synonyms: 6- (4- ethylpiperazin- 1- yl)- 2- (morpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCOCC1

STK557380
Synonyms: 2- {[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK557381
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(1E)- 1- phenylethylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C(/c1ccccc1)\C

STK557384
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (6- methylpyridin- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1cccc(n1)C

STK557385
Synonyms: 5- (4- chlorophenyl)- 3- (4- ethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1

STK557386
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK557389
Synonyms: pentyl{[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetate
Smiles: CCCCCOC(=O)CSc1nnc2n1c(SCCC)nc1c2c2CC(C)(CC)OCc2s1

STK557391
Synonyms: 1,3- dimethyl- 8- [(4- methylpiperidin- 1- yl)methyl]- 7- (3- oxobutan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C

STK557393
Synonyms: (6E)- 6- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccc(c(c3)Cl)Cl)/C2=N)s1

STK557394
Synonyms: N- (2- methoxyphenyl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK557395
Synonyms: ethyl{[5- (benzylsulfanyl)- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1

STK557396
Synonyms: 10- (benzylsulfanyl)- 8- chloro- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Clc1nc(SCc2ccccc2)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557398
Synonyms: (6Z)- 2- (benzylsulfanyl)- 6- [(1- {2- [4- (butan- 2- yl)phenoxy]ethyl}- 1H- pyrrol- 2- yl)methylidene]- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCC(c1ccc(cc1)OCCn1cccc1/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1)C

STK557400
Synonyms: 2- [3- (3- methylbutoxy)phenyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: CC(CCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2)C

STK557401
Synonyms: (5Z)- 5- (2- ethoxybenzylidene)- 2- (4- methylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCN(CC1)C

STK557402
Synonyms: (4aR,4bS,7aR,8S)- 6- (4- methylphenyl)- 5,7- dioxo- N- phenyl- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C)Nc1ccccc1

STK557403
Synonyms: 3- (2- chlorophenyl)- 5- (2,6- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK557404
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,5- dibromo- 2,4- dihydroxyphenyl)methylidene]- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCOCC1)c1nonc1N)N/N=C/c1cc(Br)c(c(c1O)Br)O

STK557405
Synonyms: 2- methyl- 7- {[3- (3- methylpiperidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK557407
Synonyms: N'- [2- ethyl- 2- methyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- dimethylethane- 1,2- diamine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCN(C)C

STK557409
Synonyms: N- (2- methoxyethyl)- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK557410
Synonyms: N- benzyl- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CSc1nc(NCc2ccccc2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)C(C)C

STK557413
Synonyms: (6Z)- 6- {3- chloro- 4- [(4- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557414
Synonyms: N- (3- chlorophenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557415
Synonyms: 3- (2,4- dimethylphenyl)- 2- methylquinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(C)nc2c(c1=O)cccc2

STK557417
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- N'- [(E)- {4- [(3- methylbenzyl)oxy]phenyl}methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OCc1cccc(c1)C

STK557418
Synonyms: methyl3- [({1- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 3,4- dihydroisoquinolin- 2(1H)- yl}acetyl)amino]- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1CN1C(=O)c4c(C1=O)cccc4)cccc3)ccc(c2)OC

STK557420
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- [(E)- {3- [(4- methylbenzyl)oxy]phenyl}methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Cc1ccc(cc1)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK557421
Synonyms: (6Z)- 6- [4- (benzyloxy)- 3- ethoxybenzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557423
Synonyms: (2'R,3'R)- 3'- (2,2- dimethylpropanoyl)- 2,2- dimethyl- 2'- phenyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1)C(=O)OC(OC2=O)(C)C)cccc3

STK557424
Synonyms: 9- (3- chlorophenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: Clc1cccc(c1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK557425
Synonyms: 3,10,10- trimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(C)nn2)CC(OC3)(C)C

STK557426
Synonyms: N- carbamimidoyl- 4- ({(Z)- 2- cyano- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cc2ccccc2oc1=O

STK557428
Synonyms: 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557429
Synonyms: (6E)- 6- [(1- benzyl- 2,5- dimethyl- 1H- pyrrol- 3- yl)methylidene]- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)Cc3ccccc3)C)/C2=N)s1

STK557431
Synonyms: 12- (2- methylprop- 2- en- 1- yl)- 9- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: CC(=C)Cn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCC(=C)C)CCCCC3

STK557432
Synonyms: N,N- diethyl- 2- {[6- iodo- 3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I)CC

STK557433
Synonyms: 5- (4- methylphenyl)- 3- (2- methylpropyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)CC(C)C

STK557434
Synonyms: 12- (4- chlorobenzyl)- 9- [(4- chlorobenzyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: Clc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)Cl)c2ccccc2CC21CCCC2

STK557435
Synonyms: 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK557436
Synonyms: 2- [(6- bromo- 2- methylquinolin- 4- yl)sulfanyl]acetamide
Smiles: Cc1cc(SCC(=O)N)c2c(n1)ccc(c2)Br

STK557438
Synonyms: 5- amino- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine- 3- thiol
Smiles: Nc1nc2sc3c(c2c2n1c(S)nn2)CC(OC3)(C)C

STK557439
Synonyms: 2- ethyl- 2- methyl- 5- (morpholin- 4- yl)- 8- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2N1CCCC1

STK557440
Synonyms: 2- [3- (pentyloxy)phenyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCCCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK557441
Synonyms: 4- (3- chlorophenyl)- 1- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C

STK557443
Synonyms: 8- ethoxy- 2,2- dimethyl- 5- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCOc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK557444
Synonyms: 5- (2,6- dichlorophenyl)- 2- phenyl- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccnc1)Cl

STK557445
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]acetamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)C)CC(C)C)nc1n(c2=O)cccc1C

STK557446
Synonyms: 3- (butylsulfanyl)- 10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(C)OCc2s1

STK557447
Synonyms: 3- [(4- chlorobenzyl)oxy]- 2- [(4- chlorobenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)CSc1nc2ccccc2c(=O)n1OCc1ccc(cc1)Cl

STK557448
Synonyms: 5- (2- fluorophenyl)- 3- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1F)c1ccccc1

STK557450
Synonyms: 5- (methylsulfanyl)- 3- [(4- nitrobenzyl)sulfanyl]- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)[N+](=O)[O-])nn2)CCC3

STK557452
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- [3- (trifluoromethyl)phenyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK557453
Synonyms: 4- (4- chlorophenyl)- 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)c1ccccc1

STK557455
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (2,4- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(c(c1)C)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557456
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(4- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557458
Synonyms: N~2~- (3- methylbutyl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: CC(CCNc1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-])C

STK557460
Synonyms: (6Z)- 6- {3- chloro- 4- [(2- chlorobenzyl)oxy]- 5- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1ccccc1Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557461
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [(4- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557463
Synonyms: 4- bromo- 2- [(E)- {2- [(3,4- dimethylphenoxy)acetyl]hydrazinylidene}methyl]phenyl(2E)- 3- (furan- 2- yl)prop- 2- enoate
Smiles: O=C(COc1ccc(c(c1)C)C)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1

STK557465
Synonyms: 7- ({3- [4- (2- methoxyphenyl)piperazin- 1- yl]propyl}amino)- 2- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: COc1ccccc1N1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK557466
Synonyms: 6- (4- benzylpiperidin- 1- yl)- N~2~- (2,5- dimethoxyphenyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)N1CCC(CC1)Cc1ccccc1)[N+](=O)[O-])OC

STK557467
Synonyms: 2- (5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentan]- 2- yl)phenol
Smiles: Oc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK557469
Synonyms: 2- {[6- amino- 2- (diethylamino)- 5- nitropyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(nc(c1[N+](=O)[O-])N)N(CC)CC

STK557470
Synonyms: N- [4- chloro- 3- (trifluoromethyl)phenyl]- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)nnc1c1cccnc1

STK557471
Synonyms: (5E)- 2- (4- benzylpiperazin- 1- yl)- 5- [4- (propan- 2- yloxy)benzylidene]- 1,3- thiazol- 4(5H)- one
Smiles: CC(Oc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)C

STK557472
Synonyms: (6Z)- 5- imino- 6- [3- methoxy- 4- (3- phenoxypropoxy)benzylidene]- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557473
Synonyms: 5- nitro- N~2~,N~4~- bis(tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)NCC1CCCO1

STK557474
Synonyms: 3- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d][1,2,3]triazin- 4(3H)- one
Smiles: Cn1nnc2c(c1=O)c1CCCCc1s2

STK557475
Synonyms: 4- [3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- diethylaniline
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)N(CC)CC

STK557476
Synonyms: N- (2,4- difluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK557477
Synonyms: 8- methoxy- 5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: COc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK557478
Synonyms: 2,4- dimethoxy- N- {[4- (4- methoxyphenyl)tetrahydro- 2H- pyran- 4- yl]methyl}benzamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1ccc(cc1OC)OC

STK557479
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (4- methoxyphenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1

STK557480
Synonyms: 2- [3- (4- chlorophenyl)- 2,4- dioxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 1(2H)- yl]- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CCCC3

STK557482
Synonyms: N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCCN1CCOCC1

STK557484
Synonyms: 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: Clc1cccc(c1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1

STK557485
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 3- {(Z)- [3- (3- methoxypropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O

STK557486
Synonyms: 3- (3- chlorophenyl)- 2- (methylsulfanyl)- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK557487
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- chlorophenyl)- 10- (furan- 2- ylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK557488
Synonyms: 2- [4- (3,5- dimethylphenoxy)quinazolin- 2- yl]phenol
Smiles: Cc1cc(C)cc(c1)Oc1nc(nc2c1cccc2)c1ccccc1O

STK557489
Synonyms: 1- (4- bromophenyl)- 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK557490
Synonyms: 5- [(1- benzyl- 1H- indol- 3- yl)methylidene]- 1,3- bis(4- methoxyphenyl)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/C(=O)N(C1=S)c1ccc(cc1)OC

STK557491
Synonyms: 6- (4,6- dioxo- 2,5- diphenylhexahydro- 2H- pyrrolo[3,4- d][1,2]oxazol- 3- yl)- 2,3- dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK557492
Synonyms: (6E)- 6- ({1- [2- (4- chlorophenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557493
Synonyms: 3- (2- chlorophenyl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl

STK557494
Synonyms: 9- bromo- 5- (2- chlorophenyl)- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1Cl)c1cccs1

STK557495
Synonyms: (6E)- 5- imino- 6- ({1- [2- (4- methoxyphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557496
Synonyms: 5- (4- methylphenyl)- 7- (3- nitrophenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[O-]

STK557497
Synonyms: N- [4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)c1sc2c(n1)ccc(c2)C)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK557499
Synonyms: 6- (4- bromophenyl)- 3- (4- tert- butylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C

STK557500
Synonyms: N- {1- [2- (3,4- dimethoxyphenyl)ethyl]- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl}pyridine- 4- carboxamide
Smiles: COc1cc(CCN2C3=C(C(C2=O)(NC(=O)c2ccncc2)C(F)(F)F)C(=O)CC(C3)(C)C)ccc1OC

STK557501
Synonyms: 2- {[5- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (1- phenylpropan- 2- yl)acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)NC(Cc1ccccc1)C)nn2)CCC3

STK557502
Synonyms: N- [1- (2- chlorobenzyl)- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]- 2- fluorobenzamide
Smiles: Fc1ccccc1C(=O)NC1(C2=C(N(C1=O)Cc1ccccc1Cl)CC(CC2=O)(C)C)C(F)(F)F

STK557503
Synonyms: 12- (3- methylbutyl)- 9- [(3- methylbutyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: CC(CCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCCC(C)C)CCCCC3)C

STK557504
Synonyms: (2Z)- 2- cyano- N- (3- methylphenyl)- 2- {(5E)- 3- (2- methylphenyl)- 4- oxo- 5- [2- (prop- 2- en- 1- yloxy)benzylidene]- 1,3- thiazolidin- 2- ylidene}ethanamide
Smiles: C=CCOc1ccccc1/C=c\1/s/c(=C(\C(=O)Nc2cccc(c2)C)/C#N)/n(c1=O)c1ccccc1C

STK557505
Synonyms: 1- [2- (3,4- dimethoxyphenyl)ethyl]- 6,6- dimethyl- 3- (5- methyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 3- (trifluoromethyl)- 3,5,6,7- tetrahydro- 1H- indole- 2,4- dione
Smiles: COc1cc(CCN2C3=C(C(C2=O)(c2c(C)[nH]n(c2=O)c2ccccc2)C(F)(F)F)C(=O)CC(C3)(C)C)ccc1OC

STK557506
Synonyms: (6E)- 5- imino- 6- {[1- (4- methylbenzyl)- 1H- indol- 3- yl]methylidene}- 2- [2- (morpholin- 4- yl)- 2- oxoethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK557507
Synonyms: 6- (4- benzylpiperazin- 1- yl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)NCC1CCCO1

STK557508
Synonyms: N- (1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)pyridine- 3- carboxamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1cccnc1

STK557509
Synonyms: (8S,8aR,11aS,11bS)- 10- (1,3- benzodioxol- 5- yl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)Nc1ccccc1

STK557510
Synonyms: 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)- 2- (piperidin- 1- yl)ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCCCC1

STK557511
Synonyms: 10- ethyl- 3- [(2- fluorobenzyl)sulfanyl]- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1F)nn2)CC(OC3)(C)CC

STK557512
Synonyms: 5- (4- fluorophenyl)- 7- (3- nitrophenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[O-]

STK557513
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2OC)OC)c2c(n1)sc1c2CC(OC1)(C)C

STK557515
Synonyms: 6- (biphenyl- 4- yl)- 3- (2- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccccc1c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK557517
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (naphthalen- 1- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1cccc3c1cccc3)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C

STK557518
Synonyms: 9- bromo- 5- (2,4- dichlorophenyl)- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc(c(c1)Cl)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br

STK557519
Synonyms: 3- (3- chlorophenyl)- 1- (4- nitrobenzyl)- 1,5,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)Cc1ccc(cc1)[N+](=O)[O-]

STK557521
Synonyms: (8S,8aR,11aS,11bS)- 10- (3- chloro- 4- fluorophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(c(c1)Cl)F)c1ccccc1

STK557522
Synonyms: 4- [3- (3- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK557523
Synonyms: N,3- bis(2- methoxyphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)Nc1ccccc1OC

STK557524
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- ethylquinazolin- 4(3H)- one
Smiles: CCc1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]

STK557525
Synonyms: 5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- N- phenyl- 1,3,4- thiadiazol- 2- amine
Smiles: Cc1cc(C)nc(n1)SCc1nnc(s1)Nc1ccccc1

STK557526
Synonyms: (6Z)- 6- {4- [(4- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK557528
Synonyms: (6Z)- 6- {[5- (3- chlorophenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK557529
Synonyms: methyl(1R,2R,3R,3aS)- 1- {[4- (acetyloxy)phenyl]carbonyl}- 3- cyano- 2- [4- (dimethylamino)phenyl]- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)N(C)C)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK557530
Synonyms: 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(E)- (4- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK557531
Synonyms: 2- {[3- (4- ethoxyphenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)c1CCN(Cc1s2)C

STK557533
Synonyms: 6- (4- tert- butylphenyl)- 3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)C(C)(C)C

STK557535
Synonyms: 1,3- dimethyl- 7- (3- nitrophenyl)- 8- phenyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: [O-][N+](=O)c1cccc(c1)c1cn2c(n1c1ccccc1)nc1c2c(=O)n(C)c(=O)n1C

STK557538
Synonyms: (3aR,4S,11aR,11bS)- 4- (4- bromophenyl)- 2- (4- chlorophenyl)- 3a,4,6,11,11a,11b- hexahydro- 1H- pyrrolo[3',4':3,4]pyrrolo[1,2- b]isoquinoline- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2Cc2ccccc2C1)c1ccc(cc1)Br

STK557539
Synonyms: 2- [(6- bromo- 2- methylquinolin- 4- yl)sulfanyl]- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/c1ccccc1

STK557540
Synonyms: 2- imino- 1- (4- methoxybenzyl)- 10- methyl- 3- (phenylsulfonyl)- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: COc1ccc(cc1)Cn1c2nc3c(C)cccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1

STK557541
Synonyms: 9- bromo- 5- [4- (hexyloxy)- 3- methoxyphenyl]- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CCCCCCOc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br

STK557542
Synonyms: (2Z)- 2- cyano- 2- [(5E)- 5- (2- methylbenzylidene)- 3- (4- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- (4- methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2C)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1ccc(cc1)C

STK557543
Synonyms: ethyl(2E,3E)- 3- [2- ({4- [(diphenylacetyl)amino]phenyl}carbonyl)hydrazinylidene]- 2- (hydroxyimino)butanoate
Smiles: CCOC(=O)/C(=N/O)/C(=N/NC(=O)c1ccc(cc1)NC(=O)C(c1ccccc1)c1ccccc1)/C

STK557544
Synonyms: 6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 4- thiol
Smiles: CCCSc1nc(S)c2c(n1)sc1c2CC(OC1)(C)CC

STK557546
Synonyms: 6- (3- bromophenyl)- 3- (4- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)Br

STK557548
Synonyms: N- (4- {[(2E)- 2- (2,3- dimethoxybenzylidene)hydrazinyl]carbonyl}phenyl)- 2,2- diphenylacetamide
Smiles: COc1c(/C=N/NC(=O)c2ccc(cc2)NC(=O)C(c2ccccc2)c2ccccc2)cccc1OC

STK557549
Synonyms: 4- benzyl- 6- ethyl- 6- methyl- 1- (prop- 2- en- 1- ylsulfanyl)- 6,7- dihydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: C=CCSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)CC

STK557552
Synonyms: 10- (morpholin- 4- yl)- 8,9- dihydro- 7H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e]tetrazolo[1,5- c]pyrimidine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncn1c3nnn1

STK557553
Synonyms: 2- {[2- (3,4- dihydroxyphenyl)- 2- oxoethyl]sulfanyl}- 3- (4- methoxyphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nc2c(c1=O)c1CCCCc1s2

STK557554
Synonyms: 2- amino- N- butyl- 1- [2- (morpholin- 4- yl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCN1CCOCC1

STK557556
Synonyms: N- (4- chlorophenyl)- 2- {[4- (4- chlorophenyl)- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CCCC3

STK557557
Synonyms: 2- amino- 1- dodecyl- N- [2- (4- methoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCCCCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)NCCc1ccc(cc1)OC

STK557558
Synonyms: 3- [4- (2,3- dimethylphenoxy)butyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1cccc(c1C)C

STK557559
Synonyms: 3- (4- chloro- 2- oxo- 3- phenyl- 2,3- dihydro- 1,3- thiazol- 5- yl)- 5- (4- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1

STK557560
Synonyms: 1,3- dimethyl- 7- (2- phenylethyl)- 5,5- bis(trifluoromethyl)- 5,8- dihydropyrimido[4,5- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: O=c1n(C)c2NC(=NC(c2c(=O)n1C)(C(F)(F)F)C(F)(F)F)CCc1ccccc1

STK557561
Synonyms: 2- (4- methoxyphenyl)- 3- [4- (2,3,5- trimethylphenoxy)butyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1cc(C)cc(c1C)C

STK557562
Synonyms: 7- (4- chlorobenzyl)- 8- [(2E)- 2- (4- methoxybenzylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK557563
Synonyms: 2- [(3- bromobenzyl)sulfanyl]- 3- (2- methylphenyl)quinazolin- 4(3H)- one
Smiles: Brc1cccc(c1)CSc1nc2ccccc2c(=O)n1c1ccccc1C

STK557564
Synonyms: N'- [(E)- (4- bromophenyl)methylidene]- 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)Br

STK557565
Synonyms: 5- (benzylsulfanyl)- 3- (prop- 2- en- 1- ylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: C=CCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK557566
Synonyms: N',N',4,7,7- pentamethyl- 2,3- dioxobicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: CN(NC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C)C

STK557568
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (2,4- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(c(c1)Cl)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK557569
Synonyms: [(1- benzyl- 1H- indol- 3- yl)methylidene]propanedioicacid
Smiles: OC(=O)C(=Cc1cn(c2c1cccc2)Cc1ccccc1)C(=O)O

STK557570
Synonyms: 2- {[5- (benzylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK557571
Synonyms: N'- [(E)- (2,4- dichlorophenyl)methylidene]- 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccc(cc1Cl)Cl

STK557572
Synonyms: 2- {[2- (3,4- dichlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (4- methylphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCCCc1s2

STK557573
Synonyms: 3- (4- chlorophenyl)- 6- methyl- 2- (pyrrolidin- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC1CCc2c(C1)c1c(s2)nc(n(c1=O)c1ccc(cc1)Cl)N1CCCC1

STK557577
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK557578
Synonyms: 3- (3- methylphenyl)- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557579
Synonyms: 2- {[5- (benzylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK557580
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1C

STK557581
Synonyms: N'- [(E)- 1,3- benzodioxol- 5- ylmethylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc2c(c1)OCO2

STK557583
Synonyms: 3- (3,4- dimethoxyphenyl)- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1OC)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1

STK557584
Synonyms: 2- imino- 1- (4- methoxybenzyl)- N- (3- methoxypropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COCCCNC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)OC)nc1n(c2=O)cccc1

STK557585
Synonyms: N'- [(E)- (2- methoxynaphthalen- 1- yl)methylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)CSc1nncn1C)cccc2

STK557586
Synonyms: ethylN- ({[3- (4- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3

STK557587
Synonyms: 9- bromo- 5- [4- (hexyloxy)phenyl]- 2- (5- methylfuran- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CCCCCCOc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br

STK557588
Synonyms: (6Z)- 6- {3- chloro- 4- [(2- chlorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1ccccc1Cl)c1cccnc1

STK557589
Synonyms: 4- [3- (2- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- diethylaniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1Cl)CC

STK557590
Synonyms: 5- {(E)- [(5- amino- 1H- tetrazol- 1- yl)imino]methyl}- 2- ethoxyphenol
Smiles: CCOc1ccc(cc1O)/C=N/n1nnnc1N

STK557593
Synonyms: 7- [2- (1,3- benzoxazol- 2- ylsulfanyl)ethyl]- 8- (4- ethylpiperazin- 1- yl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(=O)n(c(=O)n2C)C

STK557594
Synonyms: N- (3- chlorophenyl)- 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557595
Synonyms: 2- imino- 1- methyl- 5- oxo- N- (pyridin- 3- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NCc1cccnc1

STK557596
Synonyms: 3- (2,5- dimethoxyphenyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])OC

STK557597
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 6- iodo- 2- [(E)- 2- phenylethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1)c1ccc(cc1Cl)[N+](=O)[O-]

STK557598
Synonyms: (3aR,6aS)- 3- (4- bromophenyl)- 5- (5- methoxy- 2- methyl- 4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1)Br

STK557600
Synonyms: 2,4- dimethyl- 8,9,10,11- tetrahydropyrimido[1',2':1,5]pyrazolo[3,4- b]quinoline
Smiles: Cc1cc(C)n2c(n1)c1cc3CCCCc3nc1n2

STK557601
Synonyms: 2- methoxy- N- (1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)benzamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1ccccc1OC

STK557603
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- 6- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK557604
Synonyms: 5- (3- chloro- 2- methylphenyl)- 2- phenyl- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2ON(C(C2C(=O)N1c1cccc(c1C)Cl)c1cccnc1)c1ccccc1

STK557606
Synonyms: 3- (2,4- dimethylphenyl)- 6- iodo- 2- [(E)- 2- (3- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK557607
Synonyms: 6- (4- methylpiperazin- 1- yl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4- diamine
Smiles: CN1CCN(CC1)c1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK557609
Synonyms: 2- [(6- bromo- 2- methylquinolin- 4- yl)sulfanyl]- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/c1ccc(cc1)N(C)C

STK557610
Synonyms: (6Z)- 6- {4- [2- (2- chlorophenoxy)ethoxy]benzylidene}- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccccc1Cl)c1cccs1

STK557612
Synonyms: N- (3- chlorophenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK557613
Synonyms: (6aS,6bR,9aS,10R)- 8- (naphthalen- 2- yl)- 7,9- dioxo- 10- (phenylcarbonyl)- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 1- ylacetate
Smiles: CC(=O)Oc1cccc2c1N1[C@@H](C=C2)[C@H]2[C@@H]([C@@H]1C(=O)c1ccccc1)C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK557614
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK557615
Synonyms: (5Z)- 5- {[5- (2- chloro- 4- nitrophenyl)furan- 2- yl]methylidene}- 2- [4- (2- methylphenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])N1CCN(CC1)c1ccccc1C

STK557616
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[10,10- dimethyl- 5- (propylsulfanyl)- 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: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1OC)OC)nn2)CC(OC3)(C)C

STK557618
Synonyms: (3E)- 3- (hydroxyimino)- 4,7,7- trimethyl- N- phenylbicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O/N=C/1\CC2(C(C1(C)CC2)(C)C)C(=O)Nc1ccccc1

STK557619
Synonyms: methyl2- [(4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 5,7- dioxo- 4b,5,7a,8- tetrahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 6(7H)- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(cc1)F

STK557621
Synonyms: 3- (4- ethoxyphenyl)- 6- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)OC

STK557622
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (2- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2

STK557623
Synonyms: 2- imino- 10- methyl- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- N- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CC(OCCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCC1CCCO1)C

STK557625
Synonyms: (E)- 1- (3,4- dimethoxyphenyl)- N- {[9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]methoxy}methanimine
Smiles: COc1cc(/C=N/OCc2nn3c(n2)c2c(nc3)sc3c2CCN(C3)C(C)C)ccc1OC

STK557627
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(c1)Br

STK557628
Synonyms: 2- chloro- 3- (3- chlorophenyl)- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1cccc(c1)n1c(Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK557629
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- acetylphenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C

STK557630
Synonyms: 7- [2- (3,4- dimethoxyphenyl)- 2- oxoethyl]- 1,3- dimethyl- 8- (piperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1cc(ccc1OC)C(=O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

STK557631
Synonyms: methyl(1R,2R,3R,3aS)- 1- {[4- (acetyloxy)phenyl]carbonyl}- 3- cyano- 2- phenyl- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK557632
Synonyms: N'- [(E)- (2- methylphenyl)methylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccccc1C

STK557634
Synonyms: 3- (4- tert- butylphenyl)- 6- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C

STK557635
Synonyms: N'- [(E)- (2- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)Cn1nccc1C)[N+](=O)[O-]

STK557636
Synonyms: 2,2- diphenyl- N- (4- {[(2E)- 2- {1- [4- (1H- pyrrol- 1- yl)phenyl]ethylidene}hydrazinyl]carbonyl}phenyl)acetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)Nc1ccc(cc1)C(=O)N/N=C(/c1ccc(cc1)n1cccc1)\C

STK557638
Synonyms: (6aR,6bS,9aR,10S)- 8- (3- bromophenyl)- 10- (furan- 2- ylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK557639
Synonyms: 3- (3- ethoxyphenyl)- 6- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1sc2n(n1)c(nn2)c1cccc(c1)OCC

STK557640
Synonyms: 2- {[4- (4- chlorophenyl)- 7- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)c(SCC(=O)N)nn3

STK557641
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557643
Synonyms: 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK557644
Synonyms: 3- benzyl- 1- (2- {6- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 7- methoxy- 1,3- benzodioxol- 5- yl}ethyl)- 1- methylthiourea
Smiles: COc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)c(CCN(C(=S)NCc2ccccc2)C)cc2c1OCO2

STK557645
Synonyms: 3- (2- methoxyphenyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557646
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (2- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK557647
Synonyms: 6- iodo- 3- (3- methylphenyl)- 2- (methylsulfanyl)quinazolin- 4(3H)- one
Smiles: CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK557649
Synonyms: 4- [3- (4- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK557650
Synonyms: 1- {[2- (benzylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]amino}propan- 2- ol
Smiles: CC(CNc1nc(SCc2ccccc2)nc2c1c1CCCCc1s2)O

STK557651
Synonyms: (6aR,6bS,9aR,10S)- 8- (3- chloro- 4- fluorophenyl)- 10- [(3- nitrophenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)F)C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

STK557653
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK557654
Synonyms: methyl3- ({3- [4- (ethoxycarbonyl)piperidin- 1- yl]propanoyl}amino)- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCC(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK557655
Synonyms: 1- (4- chlorophenyl)- 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}ethanone
Smiles: CCCSc1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK557656
Synonyms: 2- ({[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: Brc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1cccnc1

STK557659
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- ethyl- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK557661
Synonyms: N- {[4- (benzyloxy)phenyl](cyano)methyl}- 2- chloro- N- phenylacetamide
Smiles: ClCC(=O)N(C(c1ccc(cc1)OCc1ccccc1)C#N)c1ccccc1

STK557662
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK557663
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Br)nn2)CC(OC3)(C)CC

STK557665
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(2- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK557666
Synonyms: N- [(4E)- 8- ethoxy- 1,3- dimethyl- 6- (thiophen- 2- yl)- 4H- cyclohepta[c]furan- 4- ylidene]- N'- phenylbenzene- 1,4- diamine
Smiles: CCOc1cc(c/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C)c1cccs1

STK557667
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- ethyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557668
Synonyms: 8- bromo- 1,3- dimethyl- 7- (naphthalen- 2- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc3c(c1)cccc3)c(n2)Br

STK557669
Synonyms: 6- (3- bromophenyl)- 3- (2,4- dichlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1cccc(c1)Br

STK557671
Synonyms: 2- (4- ethylphenyl)- 6,6- dimethyl- 5,7- dinitro- 1,3- diazatricyclo[3.3.1.1~3,7~]decane
Smiles: CCc1ccc(cc1)C1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-]

STK557672
Synonyms: 3- {[5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]amino}propan- 1- ol
Smiles: OCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK557674
Synonyms: N- (4- acetylphenyl)- 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 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: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C(=O)C)nn2)CC(OC3)(C)CC

STK557675
Synonyms: (2''R,3''R)- 3''- acetyl- 2''- (3,4- dimethoxyphenyl)- 2'',3''- dihydro- 10b''H- dispiro[cyclohexane- 1,2'- [1,3]dioxane- 5',1''- pyrrolo[2,1- a]phthalazine]- 4',6'- dione
Smiles: COc1cc(ccc1OC)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC1(OC3=O)CCCCC1)c1ccccc1C=N2

STK557676
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [(3- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1cccc(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557677
Synonyms: N'- [2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1sc1c2c2CC(C)(C)SCc2c(n1)N1CCOCC1)C

STK557678
Synonyms: (6Z)- 6- {[5- (2- chlorophenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccccc3Cl)/C2=N)s1

STK557679
Synonyms: N- (4- acetylphenyl)- 2- {[3- (4- ethoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK557680
Synonyms: diethyl[(1- methyl- 1H- indol- 3- yl)methylidene]propanedioate
Smiles: CCOC(=O)C(=Cc1cn(c2c1cccc2)C)C(=O)OCC

STK557683
Synonyms: (5Z)- 5- {[5- (4- bromophenyl)furan- 2- yl]methylidene}- 2- [4- (2- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK557684
Synonyms: 2- ({4- amino- 5- nitro- 6- [(tetrahydrofuran- 2- ylmethyl)amino]pyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK557685
Synonyms: N- {(2S)- 1- [(4- methoxybenzyl)amino]- 1- oxopropan- 2- yl}- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK557687
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- [(E)- 2- (3- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: [O-][N+](=O)c1ccc(c(c1)Cl)n1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK557689
Synonyms: N'- [(E)- (5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK557690
Synonyms: 2- {[6- iodo- 3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2ccc(cc2c(=O)n1CC(=C)C)I

STK557691
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- (2- methyl- 5- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]

STK557692
Synonyms: 2- {[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK557693
Synonyms: 2- [4- (benzyloxy)phenyl]- 1- (2- methylphenyl)- 4- oxoazetidine- 2- carbonitrile
Smiles: N#CC1(CC(=O)N1c1ccccc1C)c1ccc(cc1)OCc1ccccc1

STK557694
Synonyms: 3- (4- chlorophenyl)- 1- (2- phenylethyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1ccc(cc1)n1c(=O)n(CCc2ccccc2)c2c(c1=O)c1CCCCc1s2

STK557695
Synonyms: 5- amino- 1- [2- (benzylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]- 1H- pyrazole- 4- carbonitrile
Smiles: N#Cc1cnn(c1N)c1nc(SCc2ccccc2)nc2c1c1CCCCc1s2

STK557696
Synonyms: 7,7- dimethyl- N- (2- phenylethyl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- amine
Smiles: CC1(C)OCc2c(C1)c1c(NCCc3ccccc3)nc3n(c1s2)nnn3

STK557697
Synonyms: (6Z)- 6- [4- (benzyloxy)benzylidene]- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccccc3)/C2=N)s1

STK557698
Synonyms: 1- (4- fluorobenzyl)- 2- imino- N- (3- methoxypropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COCCCNC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)F)nc1n(c2=O)cccc1

STK557700
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (4- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK557701
Synonyms: 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- thiophen- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1cccs1

STK557702
Synonyms: 3- (3- chlorophenyl)- 5- (2,6- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK557703
Synonyms: 6- (3- chlorophenyl)- 3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccc(c1)Cl

STK557704
Synonyms: N~2~- (4- methylbenzyl)- 6- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CN1CCN(CC1)c1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N

STK557706
Synonyms: 1,3- dimethyl- 7- (3- oxobutan- 2- yl)- 8- (piperidin- 1- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=O)C(n1c(CN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C)C

STK557707
Synonyms: 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (naphthalen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C(/c1ccc2c(c1)cccc2)\C

STK557708
Synonyms: N- (4- ethoxyphenyl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C

STK557709
Synonyms: 2- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}benzoicacid
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1C(=O)O)C

STK557711
Synonyms: 6- tert- butyl- 3- (3- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)C(C)(C)C

STK557714
Synonyms: 3- ethyl- 2- {[2- (4- fluorophenyl)- 2- oxoethyl]sulfanyl}- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)F)nc2c(c1=O)c1CCN(Cc1s2)C

STK557716
Synonyms: 3- (1H- imidazol- 1- yl)- 1H- 1,2,4- triazole
Smiles: c1[nH]nc(n1)n1cncc1

STK557717
Synonyms: 3- (4- ethoxyphenyl)- 6- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccccc1

STK557719
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- [4- chloro- 3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK557720
Synonyms: 3- (2- methylphenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557721
Synonyms: (3aR,6aS)- 3,5- bis(3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK557723
Synonyms: 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557726
Synonyms: N- (1- butyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)acetamide
Smiles: CCCCn1nc(c2c1nc1ccccc1c2)NC(=O)C

STK557728
Synonyms: 3- (4- chlorophenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557729
Synonyms: (2Z)- 2- cyano- N- (4- methylphenyl)- 2- [(5E)- 3- (4- methylphenyl)- 4- oxo- 5- (2- propoxybenzylidene)- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: CCCOc1ccccc1/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccc(cc1)C

STK557730
Synonyms: (4aR,4bS,7aR,8S)- 6- (naphthalen- 1- yl)- 5,7- dioxo- N- phenyl- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)Nc1ccccc1

STK557731
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- phenyl- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK557734
Synonyms: (5Z)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 5- {[5- (3- nitrophenyl)furan- 2- yl]methylidene}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccc(c(c1)Cl)C

STK557735
Synonyms: 6- (2- chlorophenyl)- 3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1Cl

STK557736
Synonyms: methyl(8R,8aR,11aS,11bS)- 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- carboxylate
Smiles: COC(=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)C

STK557737
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK557738
Synonyms: (4aS,4bR,7aS,8R)- 6- (1,3- benzodioxol- 5- yl)- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C

STK557739
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [2- (3- methylphenoxy)ethoxy]benzylidene}- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK557740
Synonyms: methyl3- ({[4- (2- hydroxyethyl)piperazin- 1- yl]acetyl}amino)- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: OCCN1CCN(CC1)CC(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK557741
Synonyms: 2- {[3- (4- chlorophenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C

STK557743
Synonyms: N- benzyl- 2- [(4- oxo- 3- phenyl- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK557746
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccccn1

STK557747
Synonyms: 2- (3- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}phenoxy)acetamide
Smiles: NC(=O)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK557748
Synonyms: (4aR,4bS,7aR,8S)- 6- cyclohexyl- 8- [(4- fluorophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)C1CCCCC1

STK557751
Synonyms: 3- (4- ethoxyphenyl)- 6- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1OC

STK557752
Synonyms: (4aS,9bR)- 2,8- dimethyl- N- (tetrahydrofuran- 2- ylmethyl)- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indole- 5- carbothioamide
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=S)NCC1CCCO1

STK557753
Synonyms: N~2~- (2- methoxyethyl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: COCCNc1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]

STK557754
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 5- amine
Smiles: Clc1ccccc1CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1

STK557755
Synonyms: 3- methoxy- 2- [(4- nitrobenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: COn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK557757
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 7'- methoxy- 2'- [(3- methoxyphenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)OC

STK557758
Synonyms: 3- (3- hydroxyphenyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)O

STK557759
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br

STK557760
Synonyms: N- (4- chlorophenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557761
Synonyms: 6- (biphenyl- 4- yl)- 3- (furan- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccco1

STK557762
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [4- (diethylamino)phenyl]methylidene}acetohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)CC

STK557763
Synonyms: N- [(2Z)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- pyrido[1,2- g][1,6]naphthyridin- 2- ylidene]- 3- methylbenzamide
Smiles: CCCCn1/c(=N\C(=O)c2cccc(c2)C)/c(C#N)cc2c1cc1c(C)cccn1c2=O

STK557764
Synonyms: 5- (2,6- dichlorophenyl)- 3- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK557765
Synonyms: 3- (2,4- dichlorophenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557767
Synonyms: methyl4- (9- nitro- 2- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1)[N+](=O)[O-]

STK557768
Synonyms: (8R,8aS,11aR)- 10- (2,4- dimethylphenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=C1)C(=O)C(C)(C)C

STK557770
Synonyms: 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CC(Cn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C

STK557771
Synonyms: 6- (2,6- dimethoxyphenyl)- 3- (3- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nnc2n1nc(s2)c1c(OC)cccc1OC

STK557772
Synonyms: 2- [(3- bromobenzyl)sulfanyl]- 3- (4- ethoxyphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(SCc2cccc(c2)Br)nc2c(c1=O)c1CCCCc1s2

STK557773
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (4- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557774
Synonyms: 2- (5- methyl- 1H- pyrazol- 1- yl)- N'- [(E)- (5- phenyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1cn[nH]c1c1ccccc1

STK557775
Synonyms: (6Z)- 6- {4- [3- (2,4- dimethylphenoxy)propoxy]- 3- methoxybenzylidene}- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCCOc1ccc(cc1C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK557776
Synonyms: (1E)- [1- (4- ethoxyphenyl)ethylidene]hydrazine
Smiles: CCOc1ccc(cc1)/C(=N/N)/C

STK557777
Synonyms: 1- amino- N- (2,4- dimethoxyphenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK557778
Synonyms: (6Z)- 5- imino- 6- [3- methoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1cccc2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557779
Synonyms: N- {[2- (benzyloxy)phenyl](cyano)methyl}- 3- chloro- N- (4- methoxyphenyl)propanamide
Smiles: ClCCC(=O)N(C(c1ccccc1OCc1ccccc1)C#N)c1ccc(cc1)OC

STK557781
Synonyms: 2- (4- methylpiperidin- 1- yl)- 5- nitro- N- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK557782
Synonyms: 3- (3- ethoxyphenyl)- 6- (2- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1C

STK557783
Synonyms: N- {[4- (benzyloxy)phenyl](cyano)methyl}- 3- chloro- N- (2- methoxyphenyl)propanamide
Smiles: ClCCC(=O)N(c1ccccc1OC)C(c1ccc(cc1)OCc1ccccc1)C#N

STK557784
Synonyms: 3- (3- ethoxyphenyl)- 6- phenyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1

STK557785
Synonyms: 2- [(E)- 2- (dimethylamino)ethenyl]- 3- nitro- 1- benzofuran- 5- ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)c([N+](=O)[O-])c(o2)/C=C/N(C)C

STK557786
Synonyms: 2- {[10,10- dimethyl- 5- (propylsulfanyl)- 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- (1,3- thiazol- 2- yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1nccs1)nn2)CC(OC3)(C)C

STK557787
Synonyms: 2- [4- (pentafluorophenoxy)phenyl]- 1- [2- (pyridin- 3- yl)piperidin- 1- yl]ethanone
Smiles: O=C(N1CCCCC1c1cccnc1)Cc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F

STK557790
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (4- nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK557791
Synonyms: 3- {4- [(5E)- 5- {4- [(4- nitrobenzyl)oxy]benzylidene}- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl]piperazin- 1- yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/S1

STK557792
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- [4- (4- chlorophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C/c2ccccc2Cl)/S1

STK557793
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (4- methoxyphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)OC)OC)N=CC=C1

STK557795
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)OC)c2c(n1)sc1c2CC(OC1)(C)CC

STK557796
Synonyms: 2- {[10- ethyl- 10- methyl- 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- (4- methoxyphenyl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1ccc(cc1)OC)SC

STK557798
Synonyms: 2- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- 1- phenylethanone
Smiles: O=C(c1ccccc1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK557799
Synonyms: 2- [(2,2- dimethoxyethyl)(methyl)amino]- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COC(CN(CC(=O)c1c(C)[nH]c2c1cc(OC)cc2)C)OC

STK557800
Synonyms: 3- (acetylamino)- 7,7- dimethyl- N- nonyl- 7,8- dihydro- 5H- pyrano[4,3- b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: CCCCCCCCCNC(=O)c1sc2c(c1NC(=O)C)cc1c(n2)CC(OC1)(C)C

STK557801
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- [(E)- {3- [(2- fluorobenzyl)oxy]phenyl}methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1cccc(c1)OCc1ccccc1F

STK557802
Synonyms: 3- (2- chlorophenyl)- 6- (3,4,5- trimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2c1ccccc1Cl

STK557803
Synonyms: (6E)- 6- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK557804
Synonyms: N~4~- cyclohexyl- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N(C)C

STK557805
Synonyms: 1- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]thiourea
Smiles: NC(=S)Nc1scc(n1)c1ccc(cc1)Br

STK557807
Synonyms: N'- [(E)- (3- nitrophenyl)methylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1cccc(c1)[N+](=O)[O-]

STK557808
Synonyms: 2- (benzylsulfanyl)- 4- [(2- chlorobenzyl)sulfanyl]- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: Clc1ccccc1CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK557809
Synonyms: 2- {[5- (benzylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK557810
Synonyms: 2- [(E)- {2- [4- (4- chlorophenyl)piperazin- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenylbenzenesulfonate
Smiles: Clc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1

STK557813
Synonyms: N- (3- methoxypropyl)- 5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK557814
Synonyms: 5- (2,6- dichlorophenyl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2C(C(=O)N1c1c(Cl)cccc1Cl)ON(C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557815
Synonyms: 7- methoxy- 4- (4- methylpiperidin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCC(CC1)C

STK557817
Synonyms: N- [5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]ethane- 1,2- diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK557822
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1ccccc1

STK557823
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1ccc(cc1)N(C)C

STK557824
Synonyms: 10- ethyl- 10- methyl- 3- (prop- 2- en- 1- ylsulfanyl)- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC=C)nn2)CC(OC3)(C)CC

STK557825
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- [3- (trifluoromethyl)phenyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2

STK557826
Synonyms: (4aS,4bR,7aS,8R)- 6- (2,4- dimethylphenyl)- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK557827
Synonyms: 3- (3- chlorophenyl)- 6- (2,5- dimethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)Cl)OC

STK557828
Synonyms: (6Z)- 6- [3,5- dichloro- 4- (2- phenoxyethoxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(Cl)c(c(c1)Cl)OCCOc1ccccc1)c1cccnc1

STK557830
Synonyms: N- (3- chloro- 4- methylphenyl)- 2- {[3- (4- ethoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nc2c(c1=O)cccc2

STK557831
Synonyms: (3aR,4S,9aR,9bS)- 4- (4- bromophenyl)- 2- (4- chlorophenyl)octahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2CCCC1)c1ccc(cc1)Br

STK557832
Synonyms: 5- (benzylsulfanyl)- 3- (butylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK557834
Synonyms: (6Z)- 6- {4- [(4- chlorobenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK557835
Synonyms: 2- (4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}phenoxy)acetamide
Smiles: NC(=O)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK557836
Synonyms: N- (8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)benzamide
Smiles: O=C(c1ccccc1)Nc1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK557837
Synonyms: (6Z)- 6- (1,3- benzodioxol- 5- ylmethylidene)- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc4c(c3)OCO4)/C2=N)s1

STK557839
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- {(2E)- 2- [1- (4- nitrophenyl)ethylidene]hydrazinyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)n(c(=O)n2C)C

STK557842
Synonyms: 8- [(2E)- 2- (4- ethoxybenzylidene)hydrazinyl]- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCOc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STK557844
Synonyms: 2,2- dimethyl- 8- propoxy- 5- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCOc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK557845
Synonyms: methylN- [(2,5- dichlorophenyl)carbamoyl]- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(Cl)ccc1Cl

STK557846
Synonyms: 2- [(2- chlorophenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: Clc1ccccc1OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK557847
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- [4- (2- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK557848
Synonyms: (2Z)- 2- cyano- 2- [(5E)- 5- (2- methylbenzylidene)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- (3- methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2C)/c(=O)n1c1ccccc1C)/C(=O)Nc1cccc(c1)C

STK557849
Synonyms: (6Z)- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 6- [(5- phenylfuran- 2- yl)methylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccccc3)/C2=N)s1

STK557850
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK557851
Synonyms: ethyl3- {[(2,2- dibromo- 1- methylcyclopropyl)carbonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(C)CC1(Br)Br)cc(cc2)OC

STK557852
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- 6- (4- methylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK557858
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (2- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK557859
Synonyms: 1- [(4- chlorobenzyl)sulfanyl]- 4- (4- chlorophenyl)- 7- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C

STK557861
Synonyms: N- (naphthalen- 1- yl)- 2- [(4- oxo- 3- phenyl- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK557862
Synonyms: 5- (3- methylphenyl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557863
Synonyms: 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557864
Synonyms: 2- {[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK557866
Synonyms: (4aR,4bS,7aR,8S)- 8- (2,2- dimethylpropanoyl)- 6- [3- (trifluoromethyl)phenyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1[C@H]1C=CC=NN1[C@@H]2C(=O)C(C)(C)C

STK557868
Synonyms: 3- butyl- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK557869
Synonyms: 3- (4- ethoxyphenyl)- 6- (3- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccc(c1)OC

STK557870
Synonyms: 6- (3- chlorophenyl)- 3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1cccc(c1)Cl

STK557872
Synonyms: (6aS,6bR,9aS,10R)- N- (4- chlorophenyl)- 7,9- dioxo- 8- (2- phenylethyl)- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccccc1C=C2)CCc1ccccc1

STK557874
Synonyms: (4aR,4bS,7aR,8S)- 6- (2,4- dimethylphenyl)- 8- [(4- fluorophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C

STK557875
Synonyms: (6aS,6bR,9aS,10R)- 3- chloro- 8- (4- chlorophenyl)- 10- (2,2- dimethylpropanoyl)- 5- methyl- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=C(C)c2c1ccc(c2)Cl)C(=O)C(C)(C)C

STK557876
Synonyms: 3- {[2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]amino}propan- 1- ol
Smiles: OCCCNc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557877
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- [4- (diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)CC

STK557879
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK557880
Synonyms: (4aR,4bS,7aR,8S)- 6- (3- bromophenyl)- 5,7- dioxo- N- phenyl- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)Nc1ccccc1

STK557881
Synonyms: 3- (2- chlorophenyl)- 6- cyclohexyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1ccccc1c1nnc2n1nc(s2)C1CCCCC1

STK557882
Synonyms: (6Z)- 5- imino- 6- {4- [3- (2- methylphenoxy)propoxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCCOc1ccccc1C)c1cccnc1

STK557883
Synonyms: N- benzyl- 2- {[5- (benzylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: O=C(CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1)NCc1ccccc1

STK557884
Synonyms: 2- [(2- methylphenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: Cc1ccccc1OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK557885
Synonyms: 8- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK557886
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- phenylbutan- 2- yl)acetamide
Smiles: CCCSc1nc(SCC(=O)NC(CCc2ccccc2)C)c2c(n1)sc1c2CC(OC1)(C)C

STK557887
Synonyms: 3- (4- chlorophenyl)- 2- [(3- methoxypropyl)amino]- 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COCCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CC(CC3)C

STK557888
Synonyms: 2,2- dimethyl- 10- (methylsulfanyl)- 5- phenyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine- 8- thiol
Smiles: CSc1nc(S)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)c1ccccc1

STK557889
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 4- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccncc1

STK557890
Synonyms: 2- {[4- amino- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 2- yl]amino}ethanol
Smiles: OCCNc1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]

STK557892
Synonyms: N- (2- {2- [(3,4- dimethylphenyl)amino]- 4,4- dimethyl- 6- oxocyclohex- 1- en- 1- yl}- 1,1,1,3,3,3- hexafluoropropan- 2- yl)- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=C(Nc2ccc(c(c2)C)C)CC(CC1=O)(C)C

STK557893
Synonyms: 2- {(E)- [(5- amino- 1H- tetrazol- 1- yl)imino]methyl}- 4- nitrophenol
Smiles: Oc1ccc(cc1/C=N/n1nnnc1N)[N+](=O)[O-]

STK557894
Synonyms: (8S,8aR,11aS,11bS)- 10- (3,5- dichlorophenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C

STK557895
Synonyms: 4- (4- methylpiperidin- 1- yl)- 2- (pyridin- 2- yl)quinazoline
Smiles: CC1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1

STK557897
Synonyms: ethyl(1'R,2'R)- 2'- (3,4- dimethoxyphenyl)- 1,3- dioxo- 1,1',2',3- tetrahydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxylate
Smiles: CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(c(c1)OC)OC)C(=O)c1c(C2=O)cccc1

STK557898
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (3- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK557899
Synonyms: ethyl8- [cyclohexyl(cyclohexylcarbamoyl)carbamoyl]- 2,3,4,9- tetrahydro- 1H- carbazole- 1- carboxylate
Smiles: CCOC(=O)C1CCCc2c1[nH]c1c2cccc1C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1

STK557900
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK557901
Synonyms: (6aS,6bR,9aS,10R)- N- (2,5- dimethoxyphenyl)- 8- (3- fluorophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)F)C=Cc1c2cccc1)OC

STK557902
Synonyms: (3aR,6aS)- 3- (2,4- dichlorophenyl)- 5- (naphthalen- 2- yl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK557904
Synonyms: N~4~- (4- chlorophenyl)- N~2~- (2,5- dimethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)Cl)[N+](=O)[O-])OC

STK557905
Synonyms: (6Z)- 6- {4- [(4- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557906
Synonyms: (2'R,3'R)- 3'- acetyl- 2,2- dimethyl- 2'- phenyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1)C(=O)OC(OC2=O)(C)C)cccc3

STK557908
Synonyms: (6Z)- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 6- [4- (2- phenoxyethoxy)benzylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccccc3)/C2=N)s1

STK557911
Synonyms: 11- (ethylsulfanyl)- 1- (hexylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[4,3- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCCCCSc1nnc2n1c(SCC)nc1c2C2(CCCC2)Cc2c1cccc2

STK557912
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- acetylphenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)c1ccccc1

STK557913
Synonyms: 6- (3- methylphenyl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1cccc(c1)C

STK557914
Synonyms: 3- (4- ethoxyphenyl)- 6- (4- fluorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)F

STK557915
Synonyms: 3- (4- tert- butylphenyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C(C)(C)C

STK557916
Synonyms: 2- (butylsulfanyl)- 3- ethyl- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidin- 4(3H)- one
Smiles: CCCCSc1nc(O)c(c(=O)n1CC)C1NCCc2c1cccc2

STK557917
Synonyms: 5- (4- chlorophenyl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1

STK557918
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(2Z)- butan- 2- ylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC/C(=N\NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N)/C

STK557919
Synonyms: 4- [3- (3- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK557920
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- phenylacetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC

STK557921
Synonyms: 1- [3- (dimethylamino)propyl]- 7,7- dimethyl- 2- (4- methylphenyl)- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: CN(CCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccc(cc1)C)C

STK557922
Synonyms: (3aR,6aS)- 3- (2,4- dichlorophenyl)- 5- (2- methyl- 5- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]

STK557924
Synonyms: (3aR,4S,8aR,8bS)- 2- (2- methoxy- 5- nitrophenyl)- 4- [(4- methoxyphenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)OC)CCC1)[N+](=O)[O-]

STK557925
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 6- (morpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(N)c(c(n1)N1CCOCC1)[N+](=O)[O-]

STK557928
Synonyms: 3- (4- ethoxyphenyl)- 6- (2- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1C

STK557929
Synonyms: 8- [(4- nitrobenzyl)sulfanyl]- 5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CC(c1nc2sc3c(c2c2c1CCCC2)ncnc3SCc1ccc(cc1)[N+](=O)[O-])C

STK557933
Synonyms: 3- (3- chlorophenyl)- 6- (4- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1ccc(cc1)c1sc2n(n1)c(nn2)c1cccc(c1)Cl

STK557934
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1ccc(cc1)C(C)C

STK557935
Synonyms: 2- {[6- amino- 2- (dimethylamino)- 5- nitropyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK557936
Synonyms: ethyl5- methoxy- 3- {[(2E)- 2,3,4,5,5- pentachloropenta- 2,4- dienoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)cc(cc2)OC

STK557937
Synonyms: 6- [5- (3,4- dichlorophenyl)- 4,6- dioxo- 2- phenylhexahydro- 2H- pyrrolo[3,4- d][1,2]oxazol- 3- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STK557938
Synonyms: (2Z)- 2- cyano- 2- [5- (2,3- dichlorobenzyl)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- (4- methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1C)Cc1cccc(c1Cl)Cl)/C(=O)Nc1ccc(cc1)C

STK557939
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (4- methoxyphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK557940
Synonyms: 8- hydrazinyl- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: NNc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557942
Synonyms: ethyl(1R,2R,3R,3aS)- 1- {[4- (acetyloxy)phenyl]carbonyl}- 3- cyano- 2- (furan- 2- yl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK557943
Synonyms: N,N- diethyl- 4- [3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C)CC

STK557944
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl4- chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK557945
Synonyms: N- (4- acetylphenyl)- 2- [(4- oxo- 3- phenyl- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK557946
Synonyms: (6Z)- 5- imino- 6- (3- methoxy- 4- {2- [(4- methylphenyl)sulfanyl]ethoxy}benzylidene)- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCSc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557947
Synonyms: (6Z)- 6- {3- chloro- 4- [(2- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1ccccc1C)c1cccnc1

STK557948
Synonyms: (4aR,4bS,7aR,8S)- 8- (2,2- dimethylpropanoyl)- 6- (5- methoxy- 2- methyl- 4- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)C(C)(C)C

STK557949
Synonyms: 3- methyl- 7- {[3- (2- methylpiperidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCCCC1C)c(=O)c1c(c2=O)cccc1

STK557950
Synonyms: N- (2- methoxyethyl)- 4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: COCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK557952
Synonyms: 3- hydroxy- 2- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]quinazolin- 4(3H)- one
Smiles: O=c1n(O)c(N/N=C/c2cccnc2)nc2c1cccc2

STK557953
Synonyms: (5E)- 2- (4- benzylpiperazin- 1- yl)- 5- [2- (propan- 2- yloxy)benzylidene]- 1,3- thiazol- 4(5H)- one
Smiles: CC(Oc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)C

STK557954
Synonyms: N- (3- chlorophenyl)- 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK557955
Synonyms: methyl3- {[3- (3,4- dihydroisoquinolin- 2(1H)- yl)propanoyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCc3c(C1)cccc3)ccc(c2)OC

STK557956
Synonyms: 3- (4- fluorobenzyl)- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1ccc(cc1)F

STK557957
Synonyms: N'- [(E)- (4- nitrophenyl)methylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK557958
Synonyms: (6E)- 5- imino- 6- [4- (methylsulfanyl)benzylidene]- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CSc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557961
Synonyms: 3- (2,5- dimethoxyphenyl)- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)F)OC

STK557962
Synonyms: 3- (2- chlorophenyl)- 6- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1Cl

STK557964
Synonyms: ethyl[3- (3- chlorophenyl)- 2,4- dioxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 1(2H)- yl]acetate
Smiles: CCOC(=O)Cn1c(=O)n(c2cccc(c2)Cl)c(=O)c2c1sc1c2CCCC1

STK557965
Synonyms: methyl2- [(4aS,4bR,7aS,8R)- 8- {[4- (acetyloxy)phenyl]carbonyl}- 5,7- dioxo- 4b,5,7a,8- tetrahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 6(7H)- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1

STK557966
Synonyms: N~1~- [(E)- (3- methoxyphenyl)methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: COc1cccc(c1)/C=N/n1nnnc1N

STK557967
Synonyms: (6Z)- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 6- [(5- phenylfuran- 2- yl)methylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccccc3)/C2=N)s1

STK557968
Synonyms: 12- (2- methylbenzyl)- 9- [(2- methylbenzyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: Cc1ccccc1CSc1nnc2n1c(=O)c1c(n2Cc2ccccc2C)c2ccccc2CC21CCCCC2

STK557969
Synonyms: 5- nitro- N~2~- (2- phenylethyl)- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCC1CCCO1)NCCc1ccccc1

STK557972
Synonyms: ethyl5- amino- 1- [2- (benzylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]- 1H- pyrazole- 4- carboxylate
Smiles: CCOC(=O)c1cnn(c1N)c1nc(SCc2ccccc2)nc2c1c1CCCCc1s2

STK557973
Synonyms: 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK557974
Synonyms: N~4~- cyclohexyl- N~2~- (2- methoxyethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCNc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK557975
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (3- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK557977
Synonyms: 6- iodo- 3- (3- methylphenyl)- 2- {[1- oxo- 1- (piperidin- 1- yl)propan- 2- yl]sulfanyl}quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SC(C(=O)N1CCCCC1)C)c1cccc(c1)C

STK557978
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (2,4- dimethylphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C)cccc3

STK557979
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (4- chlorophenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557980
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2,4- dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK557981
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)Nc3nccs3)nc(nc1s2)SC

STK557983
Synonyms: (6Z)- 6- {4- [2- (2,4- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(c(c1)C)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557984
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (naphthalen- 2- yl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK557986
Synonyms: (6E)- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 6- {[1- (3- phenoxypropyl)- 1H- indol- 3- yl]methylidene}- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCCOc3ccccc3)/C2=N)s1

STK557987
Synonyms: methyl(2Z)- 2- cyano- 3- [1- (2,6- dichlorophenyl)- 2- ethoxy- 1H- indol- 3- yl]prop- 2- enoate
Smiles: CCOc1c(/C=C(\C(=O)OC)/C#N)c2c(n1c1c(Cl)cccc1Cl)cccc2

STK557988
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557989
Synonyms: (6Z)- 6- {3- chloro- 4- [(3- methylbenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK557990
Synonyms: 2,2- dimethyl- 8- (4- methylpiperazin- 1- yl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CN1CCN(CC1)c1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557991
Synonyms: 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557993
Synonyms: (6Z)- 6- {4- [2- (4- chloro- 3- methylphenoxy)ethoxy]- 3- methoxybenzylidene}- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccc(c(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK557994
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- (3- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)Cn1nc(cc1C)C

STK557995
Synonyms: 5- (benzylsulfanyl)- 3- (prop- 2- en- 1- ylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: C=CCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK557996
Synonyms: N~4~- cyclohexyl- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)NCCN1CCOCC1

STK557997
Synonyms: 2,2- dimethyl- 8- [(3- methylbutyl)sulfanyl]- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC(CCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C)C

STK557998
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- bromophenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2

STK558000
Synonyms: (5E)- 2- (4- benzylpiperazin- 1- yl)- 5- {2- [(4- nitrobenzyl)oxy]benzylidene}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1

STK558001
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK558002
Synonyms: N- (4- bromo- 2- fluorophenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)Br)nnc1c1cccnc1

STK558003
Synonyms: 2- {[3- (4- chlorophenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)Nc1ccc(cc1)C)c1ccc(cc1)Cl

STK558004
Synonyms: N- (4- chlorophenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558006
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (naphthalen- 1- yl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2

STK558007
Synonyms: methyl5- bromo- 3- ({[4- (trifluoromethyl)phenyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)C(F)(F)F)cc(cc2)Br

STK558008
Synonyms: 5- (benzylsulfanyl)- 3- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK558009
Synonyms: 2- [4- (2,3- dimethylphenoxy)quinazolin- 2- yl]phenol
Smiles: Oc1ccccc1c1nc(Oc2cccc(c2C)C)c2c(n1)cccc2

STK558010
Synonyms: N,N- diethyl- 2- {[6- iodo- 3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}propanamide
Smiles: CCN(C(=O)C(Sc1nc2ccc(cc2c(=O)n1CC(=C)C)I)C)CC

STK558011
Synonyms: 2- ({3- [2- (diethylamino)- 2- oxoethoxy]- 4- oxo- 3,4- dihydroquinazolin- 2- yl}sulfanyl)- N,N- diethylacetamide
Smiles: CCN(C(=O)CSc1nc2ccccc2c(=O)n1OCC(=O)N(CC)CC)CC

STK558012
Synonyms: 5- (4- chlorophenyl)- 3- (2,4- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl

STK558013
Synonyms: N- {(2S)- 1- [(4- methoxyphenyl)amino]- 1- oxopropan- 2- yl}- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK558014
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- phenylpropylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)/c1ccccc1

STK558016
Synonyms: (2''R,3''R)- 3''- acetyl- 2''- (4- methoxyphenyl)- 2'',3''- dihydro- 10b''H- dispiro[cyclopentane- 1,2'- [1,3]dioxane- 5',1''- pyrrolo[2,1- a]phthalazine]- 4',6'- dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC1(OC3=O)CCCC1)c1ccccc1C=N2

STK558017
Synonyms: 4- benzyl- 8,10- dimethyl- 3,4- dihydro- 1H- pyrido[3',2':4,5]thieno[3,2- e][1,4]diazepine- 2,5- dione
Smiles: O=C1CN(Cc2ccccc2)C(=O)c2c(N1)c1c(C)cc(nc1s2)C

STK558018
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- 1- (4- nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK558019
Synonyms: 4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 2- methoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN(C)C)c2nonc2N)ccc1OC(=O)C

STK558020
Synonyms: 3- [(E)- {2- [(3,4- dimethylphenoxy)acetyl]hydrazinylidene}methyl]phenyl(2E)- 3- (furan- 2- yl)prop- 2- enoate
Smiles: O=C(COc1ccc(c(c1)C)C)N/N=C/c1cccc(c1)OC(=O)/C=C/c1ccco1

STK558022
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK558023
Synonyms: (6E)- 6- {[1- (1,3- benzodioxol- 5- ylmethyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccc4c(c3)OCO4)/C2=N)s1

STK558024
Synonyms: 9- bromo- 5- (3- bromophenyl)- 2- (4- methylphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Br)c1ccc(cc1)C

STK558025
Synonyms: 6- (4- methylpiperazin- 1- yl)- 2- (morpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCOCC1

STK558027
Synonyms: 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK558028
Synonyms: 1- benzyl- N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- imino- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COc1ccc(cc1OC)CCNC(=O)c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1

STK558029
Synonyms: (6Z)- 6- {4- [2- (2,4- dimethylphenoxy)ethoxy]- 3- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccc(cc1C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558030
Synonyms: (6E)- 6- {[5- (4- bromophenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK558031
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (2- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccccc1C)OC

STK558033
Synonyms: 2- methyl- 11- {[(E)- (4- methylphenyl)methylidene]amino}- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CCc1ccccc1

STK558034
Synonyms: 2- (4- ethylpiperazin- 1- yl)- N- (2- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-]

STK558036
Synonyms: methyl6- methoxy- 3- {[(2E)- 2,3,4,5,5- pentachloropenta- 2,4- dienoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)ccc(c2)OC

STK558038
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- nitrothiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK558039
Synonyms: 6- ethyl- N- (3- methoxypropyl)- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCCNc1nc(SCCC)nc2c1c1CC(C)(CC)OCc1s2

STK558040
Synonyms: 6- (3- bromophenyl)- 3- (2- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccccc1Cl

STK558041
Synonyms: 9- bromo- 5- (3- bromophenyl)- 2- (4- methoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1cccc(c1)Br

STK558042
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- [4- (3- methylphenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C/c2ccccc2Cl)/S1

STK558044
Synonyms: 8- (4- methylpiperazin- 1- yl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CN1CCN(CC1)c1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK558046
Synonyms: (6Z)- 6- {3- chloro- 4- [(4- methylbenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK558047
Synonyms: 2- (3,4- dimethoxybenzyl)- 9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C

STK558048
Synonyms: (6Z)- 6- {4- [(4- chlorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558049
Synonyms: 1- amino- N- (3- chlorophenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK558051
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- N'- [(E)- {4- [(4- methylbenzyl)oxy]phenyl}methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Cc1ccc(cc1)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK558053
Synonyms: ethyl3- {[(2E)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)ccc(c2)OC

STK558054
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (2- methyl- 4- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2ccc(cc2C)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C

STK558055
Synonyms: 1,1'- {6- hydroxy- 6- methyl- 4- [(4- methylphenyl)amino]- 2- (3- nitrophenyl)cyclohex- 3- ene- 1,3- diyl}diethanone
Smiles: Cc1ccc(cc1)NC1=C(C(=O)C)C(C(C(C1)(C)O)C(=O)C)c1cccc(c1)[N+](=O)[O-]

STK558056
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (4- methylphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK558058
Synonyms: (6aS,6bR,9aS,10R)- 8- (1,3- benzodioxol- 5- yl)- 3- chloro- 5- methyl- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc2c(c1)C(=C[C@@H]1N2[C@@H](C(=O)c2ccccc2)[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)C

STK558059
Synonyms: (3S,3'S,3a'S,6a'R)- 5'- (4- bromophenyl)- 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([C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Br)C(=O)Nc1c2cccc1)C

STK558060
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- N'- {(E)- [4- (trifluoromethyl)phenyl]methylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)C(F)(F)F)C

STK558062
Synonyms: (3aR,8bS)- 2- (3- bromophenyl)- 4- [(4- methoxyphenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1)C(=O)C1N2CCCC2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)Br

STK558063
Synonyms: 2- {[4- (4- chlorophenyl)- 7- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)Nc3nccs3)nnc2n(c1=O)c1ccc(cc1)Cl

STK558065
Synonyms: (6E)- 5- imino- 6- ({1- [3- (4- methoxyphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558066
Synonyms: (4aS,4bR,7aS,8R)- 6- (3- bromophenyl)- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)C(C)(C)C)N=CC=C1

STK558067
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- ethyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCc2ccccc2Cl)nc2c(c1=O)c1CCCCc1s2

STK558068
Synonyms: N~2~- (butan- 2- yl)- N~4~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-])C

STK558069
Synonyms: N- (4- ethoxyphenyl)- 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 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: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)OCC)nn2)CC(OC3)(C)CC

STK558070
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(4- nitrobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558071
Synonyms: 5- (benzylsulfanyl)- 3- [(3- methylbutyl)sulfanyl]- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(CCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1)C

STK558074
Synonyms: 3- (2- hydroxy- 3- methoxyphenyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1O)OC

STK558075
Synonyms: (6Z)- 2- (benzylsulfanyl)- 5- imino- 6- [(1- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethyl}- 1H- pyrrol- 2- yl)methylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: C=CCc1ccccc1OCCn1cccc1/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1

STK558076
Synonyms: 1- [(4- chlorobenzyl)sulfanyl]- 4- (3- chlorophenyl)- 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C

STK558079
Synonyms: (6Z)- 6- {4- [2- (2,5- dimethylphenoxy)ethoxy]- 3- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1cc(C)ccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558080
Synonyms: methyl4- {(Z)- 2- cyano- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}benzoate
Smiles: COc1ccc(cc1)c1csc(n1)/C(=C\c1ccc(cc1)C(=O)OC)/C#N

STK558081
Synonyms: 3- (2- chlorophenyl)- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl

STK558082
Synonyms: (2E)- 3- [(5- methoxy- 2- methyl- 4- nitrophenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK558083
Synonyms: 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK558085
Synonyms: 3- (2,4- dimethylphenyl)- 6- iodo- 2- [(Z)- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/2\C(=O)Nc3c2cccc3)nc2c(c1=O)cc(cc2)I

STK558086
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- {(E)- [5- (2- methyl- 4- nitrophenyl)furan- 2- yl]methylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-]

STK558087
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CN1CCc2c(C1)sc1c2c(N)nc(n1)SCc1ccc(cc1Cl)Cl

STK558089
Synonyms: N~4~- cyclohexyl- N~2~- methyl- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N(c1ccccc1)C

STK558090
Synonyms: (6Z)- 6- (4- {2- [2- (butan- 2- yl)phenoxy]ethoxy}- 3- methoxybenzylidene)- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccccc1C(CC)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK558091
Synonyms: 7- [2- (1,3- benzothiazol- 2- ylsulfanyl)ethyl]- 8- (4- benzylpiperazin- 1- yl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCSc1nc2c(s1)cccc2)N1CCN(CC1)Cc1ccccc1

STK558093
Synonyms: 6- tert- butyl- 3- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)C(C)(C)C

STK558094
Synonyms: 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3- (2- methylpropyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CC(Cn1c(SCC(=C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C

STK558095
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- N'- [(E)- (4- hydroxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Oc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK558096
Synonyms: N- benzyl- 2- imino- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CC(OCCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccccc1)C

STK558097
Synonyms: (8S,8aR,11aS,11bS)- 10- (2,4- dimethylphenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C

STK558099
Synonyms: 3- butyl- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1

STK558100
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)/c1ccccc1

STK558101
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- phenyl- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1

STK558102
Synonyms: methyl(7- methoxy- 4- oxo- 4,5- dihydro- 3H- pyrimido[5,4- b]indol- 3- yl)acetate
Smiles: COC(=O)Cn1cnc2c(c1=O)[nH]c1c2ccc(c1)OC

STK558103
Synonyms: 4- {(2E)- 2- [4- (2- amino- 2- oxoethoxy)- 3- methoxybenzylidene]hydrazinyl}- N- (4- methoxyphenyl)- 4- oxobutanamide
Smiles: COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(cc2)OC)ccc1OCC(=O)N

STK558104
Synonyms: 10- ethyl- 10- methyl- 3- [(2- phenylethyl)sulfanyl]- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCCc1ccccc1)nn2)CC(OC3)(C)CC

STK558105
Synonyms: 2- [(8,8- dimethyl- 4- oxo- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK558106
Synonyms: 6- (biphenyl- 4- yl)- 3- (4- tert- butylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CC(c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1)(C)C

STK558107
Synonyms: N- (4- bromophenyl)- 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK558108
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (4- nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK558109
Synonyms: (6aS,6bR,9aS,10R)- N- (2,5- dimethoxyphenyl)- 7,9- dioxo- 8- phenyl- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1)C=Cc1c2cccc1)OC

STK558110
Synonyms: 4- chloro- 6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK558111
Synonyms: N- benzyl- 2- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: O=C(CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2)NCc1ccccc1

STK558112
Synonyms: 2,2- dimethyl- 8- (4- methylpiperazin- 1- yl)- 5- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CN1CCN(CC1)c1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK558113
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)C

STK558114
Synonyms: 2- {[5- (benzylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK558115
Synonyms: 6,6- dimethyl- 4- [(4- nitrobenzyl)sulfanyl]- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CC(OC1)(C)C

STK558117
Synonyms: 2- (3,4- dimethoxyphenyl)- 9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C

STK558118
Synonyms: 2- {[(4- ethoxyphenyl)amino]methyl}- 1- methyl- 1H- indole- 3- carbonitrile
Smiles: CCOc1ccc(cc1)NCc1c(C#N)c2c(n1C)cccc2

STK558119
Synonyms: 2- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 6- methoxyphenylacetate
Smiles: COc1cccc(c1OC(=O)C)/C=N/NC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N

STK558120
Synonyms: N- (4- chlorophenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK558121
Synonyms: 2- imino- N- (4- methylbenzyl)- 1- [2- (morpholin- 4- yl)ethyl]- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)c1cc2c(n(c1=N)CCN1CCOCC1)nc1n(c2=O)cccc1

STK558122
Synonyms: 5- ethyl- 5- methyl- 2- [(3- methylbutyl)sulfanyl]- 3- (2- phenylethyl)- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SCCC(C)C)CCc1ccccc1

STK558123
Synonyms: methyl2- {[(pyridin- 4- ylcarbonyl)carbamothioyl]amino}- 4,5,6,7,8,9- hexahydrocycloocta[b]thiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)c2ccncc2)sc2c1CCCCCC2

STK558124
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (naphthalen- 1- yl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2cccc3c2cccc3)C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C

STK558125
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2nccs2)c2c(n1)sc1c2CC(OC1)(C)CC

STK558126
Synonyms: 3,3'- (hydroxyimino)bis[1- (3- methylphenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1cccc(c1)C)C1CC(=O)N(C1=O)c1cccc(c1)C

STK558127
Synonyms: (2Z,5Z)- 2- (furan- 2- ylmethylidene)- 5- (4- methoxybenzylidene)cyclopentanone
Smiles: COc1ccc(cc1)/C=C\1/CC/C(=C/c2ccco2)/C1=O

STK558128
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK558129
Synonyms: 3- (3- chlorophenyl)- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Clc1cccc(c1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1

STK558130
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [(4- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558131
Synonyms: ethyl3- {[(2,6- dimethylmorpholin- 4- yl)acetyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)OC(C1)C)ccc(c2)OC

STK558132
Synonyms: (8S,8aR,11aS,11bS)- 10- (naphthalen- 2- yl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)cccc2)c1ccccc1

STK558133
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)F

STK558135
Synonyms: N~2~- benzyl- 6- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK558136
Synonyms: methylN- {[3- (pentafluorophenoxy)phenyl]carbamoyl}- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F

STK558137
Synonyms: N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)NCCN1CCOCC1

STK558138
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1c(Cl)cccc1Cl)nn2)CC(OC3)(C)CC

STK558139
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1ccccc1F

STK558140
Synonyms: (5Z)- 5- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}- 2- (pyrrolidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N1CCCC1

STK558141
Synonyms: 1- hexyl- 7,7- dimethyl- 2- phenyl- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: CCCCCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1

STK558142
Synonyms: (2'S,3'R,4R)- 2,2'- diphenyl- 3'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[1,3- oxazole- 4,1'- pyrrolo[2,1- a]phthalazin]- 5- one
Smiles: O=C([C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)N=C(OC2=O)c1ccccc1)cccc3)c1ccccc1

STK558144
Synonyms: 4- ethyl- 8,8- dimethyl- 4,6,8,9- tetrahydro- 10H- tetrazolo[1,5- a]thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 10- one
Smiles: CCn1c2sc3c(c2c(=O)n2c1nnn2)CC(SC3)(C)C

STK558146
Synonyms: 3- {[(E)- (2- fluorophenyl)methylidene]amino}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccccc1F

STK558148
Synonyms: 2- {[(4- phenyl- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazol- 3- yl)methyl]sulfanyl}- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Nc1nc(SCc2nnc(n2c2ccccc2)SC/C=C/c2ccccc2)nc2c1c1CCCc1s2

STK558149
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK558150
Synonyms: 3- (2,4- dimethylphenyl)- 6- iodo- 2- methylquinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(C)nc2c(c1=O)cc(cc2)I

STK558151
Synonyms: 6- (3,4- dimethoxyphenyl)- 3- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nn2c(s1)nnc2COc1ccccc1

STK558152
Synonyms: 4- [1- (3,4- dimethylbenzyl)- 1H- benzimidazol- 2- yl]- 1- (3- methylphenyl)pyrrolidin- 2- one
Smiles: Cc1cccc(c1)N1CC(CC1=O)c1nc2c(n1Cc1ccc(c(c1)C)C)cccc2

STK558153
Synonyms: N'- [(3Z)- 1- (azepan- 1- ylmethyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- (2- methoxyphenoxy)acetohydrazide
Smiles: COc1ccccc1OCC(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CCCCCC1

STK558154
Synonyms: 5- (4- methoxyphenyl)- 7- (3- nitrophenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1cccc(c1)[N+](=O)[O-]

STK558155
Synonyms: 3- (4- ethylphenyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK558156
Synonyms: 2- {2- methoxy- 4- [(E)- {2- [(5- methyl- 1H- pyrazol- 1- yl)acetyl]hydrazinylidene}methyl]phenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)Cn2nccc2C)ccc1OCC(=O)N

STK558157
Synonyms: (6Z)- 6- {3- bromo- 4- [(4- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)COc1ccc(cc1Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558158
Synonyms: 2- [(E)- 2- (1,3- benzodioxol- 5- yl)ethenyl]- 3- (2- chloro- 4- nitrophenyl)- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc2c(c1)OCO2)c1ccc(cc1Cl)[N+](=O)[O-]

STK558159
Synonyms: 2- {[3- (4- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)c1CCCCc1s2

STK558160
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (2,6- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1c(C)cccc1C)c1cccnc1

STK558162
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (3- chlorophenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558163
Synonyms: 3- (4- methoxyphenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK558164
Synonyms: 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK558166
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- methylfuran- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1ccc(o1)C

STK558167
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- 2- oxo- N,2- diphenylethanehydrazonothioate
Smiles: O=C(/C(=N\Nc1ccccc1)/Sc1nnnn1c1ccccc1)c1ccccc1

STK558169
Synonyms: [6- bromo- 4- (dibromomethyl)- 5,5- dimethylbicyclo[2.1.1]hex- 1- yl](4- methylpiperazin- 1- yl)methanone
Smiles: CN1CCN(CC1)C(=O)C12CCC(C1Br)(C2(C)C)C(Br)Br

STK558170
Synonyms: N- (4- chlorophenyl)- 2- {[3- (4- methoxyphenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK558171
Synonyms: N~1~- [(E)- {4- [(3,4- dichlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: COc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)/C=N/n1nnnc1N

STK558172
Synonyms: 2- (4- methoxyphenyl)- 3- {3- [4- (propan- 2- yl)phenoxy]propyl}quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1)C(C)C

STK558173
Synonyms: N- {[4- (benzyloxy)phenyl](cyano)methyl}- 2- chloro- N- (2- methoxyphenyl)acetamide
Smiles: ClCC(=O)N(c1ccccc1OC)C(c1ccc(cc1)OCc1ccccc1)C#N

STK558174
Synonyms: 2- (2- chlorophenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: Clc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK558175
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- (naphthalen- 1- ylmethylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1cccc3c1cccc3)/c2=O

STK558176
Synonyms: ethyl(1R,2R,3R,3aS)- 1- {[4- (acetyloxy)phenyl]carbonyl}- 3- cyano- 2- (4- methoxyphenyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)OC)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK558178
Synonyms: 3- (2- methylpropyl)- 2- (prop- 2- yn- 1- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK558179
Synonyms: 5,5'- [(4- chlorophenyl)methanediyl]bis(6- hydroxy- 1,3- dimethyl- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one)
Smiles: Clc1ccc(cc1)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c(O)n(C)c(=S)n(c1=O)C

STK558180
Synonyms: 1- butyl- 7,7- dimethyl- 2- phenyl- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: CCCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1

STK558181
Synonyms: ethyl2- cyano- 3- phenyl- 3- (thiophen- 2- yl)butanoate
Smiles: CCOC(=O)C(C(c1cccs1)(c1ccccc1)C)C#N

STK558182
Synonyms: (2E)- (hydroxyimino)(4- phenyl- 1,3- thiazol- 2- yl)ethanenitrile
Smiles: O/N=C(/c1scc(n1)c1ccccc1)\C#N

STK558183
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)OCC)c2c(n1)sc1c2CC(OC1)(C)C

STK558185
Synonyms: N'- [(E)- {2- [(4- bromobenzyl)oxy]phenyl}methylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccccc1OCc1ccc(cc1)Br

STK558186
Synonyms: ethylN- ({[3- (4- methoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK558187
Synonyms: ethyl[(4- benzyl- 6- ethyl- 6- methyl- 5- oxo- 4,5,6,7- tetrahydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 1- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)CC

STK558188
Synonyms: 5- (4- bromophenyl)- 3- (4- ethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1

STK558189
Synonyms: N- (2- chlorophenyl)- 2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinecarbothioamide
Smiles: S=C(Nc1ccccc1Cl)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK558191
Synonyms: N- (4- acetylphenyl)- 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)C(=O)C)c2c(n1)sc1c2CC(OC1)(C)CC

STK558197
Synonyms: N- (4- ethoxyphenyl)- 2- [(4- oxo- 3- phenyl- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK558198
Synonyms: methyl3- [(1,3- benzodioxol- 5- ylcarbonyl)amino]- 5- bromo- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc3c(c1)OCO3)cc(cc2)Br

STK558199
Synonyms: 6- ethyl- N- (3- methoxypropyl)- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCCNc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2

STK558200
Synonyms: 2- methoxy- 6- [4- (4- methoxyphenoxy)quinazolin- 2- yl]phenol
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK558202
Synonyms: (2'S,3'R,4R)- 2'- (3,4- dimethoxyphenyl)- 3'- (2,2- dimethylpropanoyl)- 2- phenyl- 2',3'- dihydro- 10b'H- spiro[1,3- oxazole- 4,1'- pyrrolo[2,1- a]phthalazin]- 5- one
Smiles: COc1ccc(cc1OC)[C@H]1[C@@H](N2C([C@@]31N=C(OC3=O)c1ccccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK558203
Synonyms: 2- (4- methoxyphenyl)- 3- {2- [2- (2,3,6- trimethylphenoxy)ethoxy]ethyl}quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1c(C)ccc(c1C)C

STK558204
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(N2CCC(CC2)C)c(c(n1)N)[N+](=O)[O-]

STK558205
Synonyms: 5- (3,4- difluorophenyl)- 9- nitro- 2- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Fc1cc(ccc1F)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1)[N+](=O)[O-]

STK558206
Synonyms: 3- (3- chlorophenyl)- 5- (naphthalen- 1- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1

STK558207
Synonyms: 3- butyl- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1

STK558208
Synonyms: N- [1- benzyl- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]- 2,4- dichlorobenzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1)C(F)(F)F

STK558209
Synonyms: N'- [2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CSc1nc(NCCCN(C)C)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK558211
Synonyms: 2,2- dimethyl- N- (1- phenylethyl)tetrahydro- 2H- pyran- 4- amine
Smiles: CC(c1ccccc1)NC1CCOC(C1)(C)C

STK558213
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(2- fluorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OCc1ccccc1F

STK558214
Synonyms: N- [(4- bromophenyl)(cyano)methyl]- 3- chloro- N- (4- methoxyphenyl)propanamide
Smiles: ClCCC(=O)N(C(c1ccc(cc1)Br)C#N)c1ccc(cc1)OC

STK558215
Synonyms: (6Z)- 6- {4- [(4- fluorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558217
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- {[5- (4- methoxyphenyl)- 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3,4- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(SCC(=O)NCCc1ccc(c(c1)OC)OC)nn2

STK558218
Synonyms: 3- (3- chlorophenyl)- 2- [(2,6- dichlorobenzyl)sulfanyl]- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Clc1cccc(c1)n1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)cc1c(n2)CCCC1

STK558219
Synonyms: 3- (2- methylprop- 2- en- 1- yl)- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CC(=C)Cn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558220
Synonyms: 2- {[5- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1nccs1)nn2)CCC3

STK558221
Synonyms: 2- [(4- methylphenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK558222
Synonyms: (6Z)- 6- (4- {2- [4- (butan- 2- yl)phenoxy]ethoxy}benzylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCC(c1ccc(cc1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C

STK558223
Synonyms: 3- (3- chlorophenyl)- 6- (3,4,5- trimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK558224
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (4- methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)/C

STK558225
Synonyms: 1- [(2- chlorobenzyl)sulfanyl]- 4- (4- chlorophenyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1Cl

STK558226
Synonyms: N'- [(E)- {2- [(3- bromobenzyl)oxy]phenyl}methylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1OCc1cccc(c1)Br

STK558227
Synonyms: 4- benzyl- 6- ethyl- 6- methyl- 1- (methylsulfanyl)- 6,7- dihydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: CSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)CC

STK558228
Synonyms: 6- (2,6- dimethoxyphenyl)- 3- (pyridin- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1sc2n(n1)c(nn2)c1ccccn1)OC

STK558229
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- (2- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)Cn1nc(cc1C)C)[N+](=O)[O-]

STK558231
Synonyms: 4- benzyl- 6- ethyl- 6- methyl- 6,7- dihydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c1n2cnn1)Cc1ccccc1

STK558234
Synonyms: 6,8- bis(4- bromophenyl)- 2- (methylsulfanyl)- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccc(cc1)Br)c1ccc(cc1)Br

STK558236
Synonyms: N- (3- chlorophenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK558237
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558238
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4- amine
Smiles: Clc1ccc(c(c1)Cl)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1

STK558239
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- methoxyphenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2

STK558241
Synonyms: 4- [3- (furan- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccco1

STK558243
Synonyms: 1- (diphenylmethyl)- 3- nitro- 5- (phenylsulfanyl)- 1H- 1,2,4- triazole
Smiles: [O-][N+](=O)c1nc(n(n1)C(c1ccccc1)c1ccccc1)Sc1ccccc1

STK558246
Synonyms: 2- ({4- amino- 6- [(2- methoxyphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-]

STK558247
Synonyms: N~2~,N~2~- diethyl- 6- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN(c1nc(N2CCN(CC2)C)c(c(n1)N)[N+](=O)[O-])CC

STK558248
Synonyms: 2- (4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 2- methoxyphenoxy)acetamide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OCC(=O)N

STK558249
Synonyms: 2- (ethylsulfanyl)- 3- methoxyquinazolin- 4(3H)- one
Smiles: CCSc1nc2ccccc2c(=O)n1OC

STK558250
Synonyms: N- (2- phenylethyl)- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: c1ccc(cc1)CCNc1nc(nc2c1cccc2)c1ccccn1

STK558252
Synonyms: 7- methoxy- 3- (pyridin- 4- ylmethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1ccncc1

STK558253
Synonyms: ethyl[3- (4- chlorophenyl)- 2,4- dioxo- 3,4,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl]acetate
Smiles: CCOC(=O)Cn1c(=O)n(c2ccc(cc2)Cl)c(=O)c2c1sc1c2CCC1

STK558254
Synonyms: ethyl(2E)- [2- (4- bromophenyl)hydrazinylidene][(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]ethanoate
Smiles: CCOC(=O)/C(=N\Nc1ccc(cc1)Br)/Sc1nnnn1c1ccccc1

STK558256
Synonyms: 2- {[3- (4- chlorophenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)N)c1ccc(cc1)Cl

STK558257
Synonyms: 11- {[(E)- (2- methylphenyl)methylidene]amino}- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1ccccc1/C=N/n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCc1ccccc1

STK558258
Synonyms: 2- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanedioicacid
Smiles: OC(=O)CC(N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O)C(=O)O

STK558260
Synonyms: (6Z)- 6- {3- chloro- 4- [(4- chlorobenzyl)oxy]- 5- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1ccc(cc1)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558261
Synonyms: N- (2,5- dioxo- 1- phenylpyrrolidin- 3- yl)- N- hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)c1ccccc1)O

STK558262
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (3- bromophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)Br

STK558263
Synonyms: 4- [(2E)- 2- (5- bromo- 2- hydroxybenzylidene)hydrazinyl]- N- (4- methoxyphenyl)- 4- oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1cc(Br)ccc1O

STK558264
Synonyms: 5- (benzylsulfanyl)- 3- (propylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK558265
Synonyms: 4- benzyl- 6,6- dimethyl- 1- sulfanyl- 6,7- dihydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: Sc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)C

STK558266
Synonyms: 3- butyl- 5- (4- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1

STK558268
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (4- nitrobenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

STK558269
Synonyms: (6aS,6bR,9aS,10R)- 3- chloro- 10- (2,2- dimethylpropanoyl)- 8- (4- methoxyphenyl)- 5- methyl- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=C(C)c2c1ccc(c2)Cl)C(=O)C(C)(C)C

STK558273
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 5- amine
Smiles: Brc1ccc(cc1)CSc1nnc2n1c(N)nc1c2c2CCCCc2s1

STK558275
Synonyms: 3- (4- chlorophenyl)- 7- methyl- 2- [(4- nitrobenzyl)sulfanyl]- 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)SCc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Cl

STK558276
Synonyms: 4,4'- [(hydroxyimino)bis(2,5- dioxopyrrolidine- 3,1- diyl)]dibenzoicacid
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O)C1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O

STK558277
Synonyms: 6,6- dimethyl- 2- [4- (propan- 2- yloxy)phenyl]- 1,2,3,5,6,8- hexahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(Oc1ccc(cc1)C1NC(=O)c2c(N1)sc1c2CC(OC1)(C)C)C

STK558278
Synonyms: N- (3- methoxypropyl)- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCCNc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK558279
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(4- fluorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OCc1ccc(cc1)F

STK558280
Synonyms: N~4~- (3- chlorophenyl)- N~2~- (3- methylbutyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CC(CCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-])C

STK558282
Synonyms: 2- [(2- methylphenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: Cc1ccccc1OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK558283
Synonyms: piperidin- 1- yl(3- {[2- (pyridin- 2- yl)quinazolin- 4- yl]oxy}phenyl)methanone
Smiles: O=C(c1cccc(c1)Oc1nc(nc2c1cccc2)c1ccccn1)N1CCCCC1

STK558284
Synonyms: tert- butyl(2'R,3'R)- 2,2- dimethyl- 4,6- dioxo- 2'- phenyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxylate
Smiles: O=C([C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1)C(=O)OC(OC2=O)(C)C)cccc3)OC(C)(C)C

STK558285
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- phenyl- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Clc1ccc(cc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK558286
Synonyms: 8- chloro- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1nc(Cl)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK558287
Synonyms: (2'R,3'R)- 2'- (3,4- dimethoxyphenyl)- 3'- [(4- methoxyphenyl)carbonyl]- 2,2- dimethyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(c(c1)OC)OC)C(=O)OC(OC2=O)(C)C)cccc3

STK558288
Synonyms: N- (3- chlorophenyl)- 2- [(4- oxo- 3- phenyl- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK558289
Synonyms: 4- [(3- {2- [(2E)- 2- (2,3- dimethoxybenzylidene)hydrazinyl]- 1,3- thiazol- 4- yl}phenyl)sulfonyl]morpholine
Smiles: COc1c(/C=N/Nc2scc(n2)c2cccc(c2)S(=O)(=O)N2CCOCC2)cccc1OC

STK558290
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- phenylacetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK558291
Synonyms: 1- amino- N- (2,4- dimethoxyphenyl)- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK558293
Synonyms: (6E)- 6- ({1- [3- (2,4- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(c(c1)C)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558296
Synonyms: 3- (4- fluorophenyl)- 5- (naphthalen- 2- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc2c(c1)cccc2

STK558297
Synonyms: 9- bromo- 2- (5- methylfuran- 2- yl)- 5- [4- (propan- 2- yloxy)phenyl]- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CC(Oc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br)C

STK558298
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(c1)Oc1ccccc1

STK558299
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N)O

STK558301
Synonyms: 3- benzyl- 5- [(4- fluorophenyl)amino]- 5- (trifluoromethyl)imidazolidine- 2,4- dione
Smiles: Fc1ccc(cc1)NC1(NC(=O)N(C1=O)Cc1ccccc1)C(F)(F)F

STK558303
Synonyms: N- (3- chlorophenyl)- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558304
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (2,4- dimethylphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C

STK558305
Synonyms: 5- (2,4- dimethylphenyl)- 3- (3- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cccc(c1)C1C2C(ON1c1ccccc1)C(=O)N(C2=O)c1ccc(cc1C)C

STK558306
Synonyms: 3- (2,4- dichlorophenyl)- 5- (2,6- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(c(c1)Cl)C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK558307
Synonyms: 3- cyclohexyl- 6- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2C1CCCCC1

STK558309
Synonyms: [3- (4- methylpiperidin- 1- yl)quinoxalin- 2- yl](phenylsulfonyl)acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccccc1)c1nc2ccccc2nc1N1CCC(CC1)C

STK558310
Synonyms: 3- (2- chloroquinolin- 3- yl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl

STK558311
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(2- phenylethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(SCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK558313
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- 6- (4- methylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C

STK558314
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 6- iodo- 2- [(E)- 2- (4- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1Cl)[N+](=O)[O-]

STK558315
Synonyms: N'- [(E)- (3- chlorophenyl)methylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(c1)Cl

STK558317
Synonyms: (3S,3'S,3a'S,6a'R)- 3'- methyl- 5'- (4- methylphenyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: C[C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1

STK558318
Synonyms: N- (4- chlorophenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK558320
Synonyms: N- (2- methoxyethyl)- 2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK558321
Synonyms: 3- (4- tert- butylphenyl)- 5- (4- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C(C)(C)C

STK558322
Synonyms: N- (4- chlorophenyl)- 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK558323
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)C)c2c(n1)sc1c2CC(OC1)(C)CC

STK558324
Synonyms: (8S,8aR,11aS,11bS)- 9,11- dioxo- N,10- diphenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)cccc3)Nc1ccccc1

STK558325
Synonyms: 8- [(dibenzylamino)methyl]- 1,3- dimethyl- 7- (2- oxopropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK558326
Synonyms: ethyl4- methyl- 2- [(2- phenoxyethyl)sulfanyl]- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)SCCOc1ccccc1

STK558327
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- anthracen- 9- ylmethylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c2ccccc2cc2c1cccc2

STK558328
Synonyms: N- benzyl- 2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CC1(C)OCc2c(C1)c1c(NCc3ccccc3)nc(nc1s2)SCc1ccccc1

STK558329
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(4- methylbenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK558332
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccccc1Cl

STK558333
Synonyms: N,N- dimethyl- 4- [3- (pyridin- 4- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CN(c1ccc(cc1)c1sc2n(n1)c(nn2)c1ccncc1)C

STK558334
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [(2- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1ccccc1F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558335
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (2- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK558336
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (4- ethoxyphenyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK558337
Synonyms: 5- nitro- 2- (piperidin- 1- yl)- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCCCC1

STK558340
Synonyms: {1- [2- (benzylamino)- 2- oxoethyl]cyclopentyl}aceticacid
Smiles: O=C(CC1(CCCC1)CC(=O)O)NCc1ccccc1

STK558341
Synonyms: 6- ethyl- 6- methyl- 4- (methylsulfanyl)- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SC)c2c(n1)sc1c2CC(OC1)(C)CC

STK558342
Synonyms: N- (4- ethoxyphenyl)- 2- {[3- (4- ethoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OCC)CC(OC3)(C)C

STK558343
Synonyms: 3- (2,4- dimethylphenyl)- 2- [(E)- 2- (4- hydroxyphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1C)C

STK558344
Synonyms: 1- {3- [(diethylamino)methyl]- 4- (2- methylpropoxy)phenyl}ethanone
Smiles: CCN(Cc1cc(ccc1OCC(C)C)C(=O)C)CC

STK558345
Synonyms: 2- (4- chlorophenyl)- 3- {5- [2- (propan- 2- yl)phenoxy]pentyl}quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccccc1C(C)C

STK558346
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)OC)c2c(n1)sc1c2CC(OC1)(C)C

STK558347
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: CCCSc1nc(SCC(=O)NCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C