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

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STL056663
Synonyms: 3- methyl- 4- (4- methylphenyl)- 1- phenyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: Cc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2c1ccccc1)O

STL056665
Synonyms: 12- (3,4- dimethoxyphenyl)- 2- (furan- 2- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccco1)[O-]

STL056668
Synonyms: 3- {[(3Z)- 3- {[(2,5- dichlorophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Clc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O)Cl

STL056669
Synonyms: (2E)- 3- (2,3- dimethoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1c(cccc1OC)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL056691
Synonyms: 4- {[(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STL056698
Synonyms: 3- {[(2,4- dimethylphenyl)sulfonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1ccc(cc1C)C)c([nH]2)C(=O)O

STL056701
Synonyms: 7- (2- ethoxyethyl)- 8- [(4- ethylpiperazin- 1- yl)methyl]- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCOCCn1c(CN2CCN(CC2)CC)nc2c1c(O)nc(=O)n2C

STL056704
Synonyms: (5E)- 1- cyclopropyl- 5- [(2,3- dihydro- 1H- inden- 5- ylamino)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/Nc1ccc2c(c1)CCC2)C1CC1

STL056706
Synonyms: N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]- N- phenylacetamide
Smiles: O=c1cc(CN(c2ccccc2)C(=O)C)c2c([nH]1)cccc2

STL056709
Synonyms: 4- [(E)- (2- {[1- (4- ammonio- 1,2,5- oxadiazol- 3- yl)- 5- (1,3- benzodioxol- 5- yl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 2,6- dimethoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2[NH3+])cc(c1[O-])OC

STL056710
Synonyms: 2- {[5- (1- amino- 2- methylbutyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}- N- (3- chlorophenyl)acetamide
Smiles: CCC(C(c1nnc(o1)SCC(=O)Nc1cccc(c1)Cl)N)C

STL056714
Synonyms: N- [(3Z)- 1- ethyl- 7- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]pyridine- 4- carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccncc2)/c2c1nc1cc(C)ccc1c2

STL056723
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 4- oxo- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc2c(c1)OCCO2

STL056731
Synonyms: 1H- 3,1- benzimidazol- 3- ium- 2- ylacetate
Smiles: [O-]C(=O)Cc1[nH]c2c([nH+]1)cccc2

STL056734
Synonyms: tert- butyl[1- (5- {[(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methyl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)ethyl]carbamate
Smiles: O=C(OC(C)(C)C)NC(c1nnc(o1)SCc1c(C)nc(nc1O)O)C

STL056735
Synonyms: (5E)- 2,6- dioxo- 5- (2,3,6,7- tetrahydro- 1H,5H- pyrido[3,2,1- ij]quinolinium- 9- ylmethylidene)- 1- [3- (trifluoromethyl)phenyl]- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: O=C1N=C([O-])/C(=C\c2cc3CCC[NH+]4c3c(c2)CCC4)/C(=O)N1c1cccc(c1)C(F)(F)F

STL056746
Synonyms: ethyl4- [4- (3- fluorophenyl)- 3- methyl- 6- oxo- 2,6- dihydropyrrolo[3,4- c]pyrazol- 5(4H)- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1cccc(c1)F)c([nH]n2)C

STL056748
Synonyms: N- (2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- L- isoleucine
Smiles: CCC([C@@H](C(=O)O)Nc1nc(nc2c1oc1c2cccc1)c1ccccc1)C

STL056749
Synonyms: 8- [(2E)- 2- (4- chlorobenzylidene)hydrazinyl]- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(N/N=C/c2ccc(cc2)Cl)nc2c1c(O)nc(=O)n2C

STL056752
Synonyms: 1- [6- (4- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 3- yl]- 2- methylpropan- 1- amine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2C(C(C)C)N

STL056753
Synonyms: 3- {[(5- chlorothiophen- 2- yl)sulfonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1ccc(s1)Cl)c([nH]2)C(=O)O

STL056757
Synonyms: 4- {[(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STL056760
Synonyms: 1,1- dioxido- 2,3- dihydrothiophen- 3- ylbenzoate
Smiles: O=C(c1ccccc1)OC1C=CS(=O)(=O)C1

STL056763
Synonyms: 1- {5- [(2- chlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethanamine
Smiles: NC(c1nnc(o1)SCc1ccccc1Cl)Cc1ccccc1

STL056768
Synonyms: N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (4- methoxyphenoxy)acetamide
Smiles: COc1ccc(cc1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STL056770
Synonyms: 2- {5- [(2,4- dichlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1ccc(cc1Cl)Cl

STL056782
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- methoxyphenyl)methylidene]- 5- (4- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N

STL056784
Synonyms: (E)- [4,5- dioxo- 2- phenyl- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene][4- (propan- 2- yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-])C

STL056789
Synonyms: 4- (2- {(Z)- [1- (4- fluorophenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 1H- pyrrol- 1- yl)benzoicacid
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cccn2c2ccc(cc2)C(=O)O)/C1=O)S

STL056805
Synonyms: 4- [(3E)- 3- [hydroxy(phenyl)methylidene]- 2- (4- methoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]benzoicacid
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)C(=O)O

STL056806
Synonyms: 3- {[(2,4- dimethoxyphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylicacid
Smiles: COc1cc(OC)ccc1S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STL056807
Synonyms: N- [(2Z)- 5- [2- (piperidin- 1- yl)ethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=c\1/[nH]nc(s1)CCN1CCCCC1

STL056812
Synonyms: 5- ({[5- (1- aminoethyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}methyl)- 6- methylpyrimidine- 2,4(1H,3H)- dione
Smiles: CC(c1nnc(o1)SCc1c(C)[nH]c(=O)[nH]c1=O)N

STL056821
Synonyms: ethyl[(2E)- 5- [(E)- 2- (4- methoxyphenyl)ethenyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: CCOC(=O)/N=c/1\[nH]nc(s1)/C=C/c1ccc(cc1)OC

STL056829
Synonyms: 2- [3- (2- chlorobenzyl)- 2,4- dioxo- 1,3- thiazolidin- 5- yl]- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(CC1SC(=O)N(C1=O)Cc1ccccc1Cl)Nc1nccs1

STL056849
Synonyms: 3- [(4- tert- butylbenzyl)sulfanyl]- 5- (3- methylphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1cccc(c1)C

STL056856
Synonyms: (5E)- 1- (3- chloro- 4- methylphenyl)- 2,6- dioxo- 5- {[(pyridinium- 3- ylmethyl)amino]methylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: O=C1N=C([O-])/C(=C\NCc2ccc[nH+]c2)/C(=O)N1c1ccc(c(c1)Cl)C

STL056857
Synonyms: 3- methoxy- 2- (methylamino)- 3- (4- methylphenyl)- 1- phenylpropan- 1- one
Smiles: CNC(C(=O)c1ccccc1)C(c1ccc(cc1)C)OC

STL056859
Synonyms: (5E)- 3- cycloheptyl- 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\Nc2c(C)n(n(c2=O)c2ccccc2)C)/C(=O)N1C1CCCCCC1

STL056895
Synonyms: (4E)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 1- [2- (2- hydroxyethoxy)ethyl]- 5- (pyridin- 3- yl)pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1cccnc1

STL056909
Synonyms: 5'- (4- fluorophenyl)- 3'- [2- (methylsulfanyl)ethyl]- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CSCCC1NC2(C3C1C(=O)N(C3=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1

STL056919
Synonyms: tert- butyl(1- {(2E)- 2- [(2- methyl- 2H- chromen- 3- yl)methylidene]hydrazinyl}- 1- oxopropan- 2- yl)carbamate(non- preferredname)
Smiles: O=C(OC(C)(C)C)NC(C(=O)N/N=C/C1=Cc2ccccc2OC1C)C

STL056935
Synonyms: 4- ({(E)- [1- (4- fluorobenzyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}amino)benzoicacid
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\Nc2ccc(cc2)C(=O)O)/C1=O)O

STL056936
Synonyms: N- [(4E)- 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]- 4- methoxyaniline
Smiles: COc1ccc(cc1)/N=c\1/[nH]c(CC)nc2c1oc1c2cccc1

STL056939
Synonyms: 2- [(E)- {[3- (2- fluorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccc1F

STL056943
Synonyms: (2Z)- 3- {3- ethoxy- 4- [(4- fluorobenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL056946
Synonyms: 1,3- dimethyl- 8- {4- [(4- nitrobenzyl)oxy]phenyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: [O-][N+](=O)c1ccc(cc1)COc1ccc(cc1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STL056948
Synonyms: N'- [(1E)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CCCC)O)/CC

STL056961
Synonyms: 2- ethyl- N- (4- methylpiperazin- 1- yl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CCc1nc(NN2CCN(CC2)C)c2c(n1)c1ccccc1o2

STL056962
Synonyms: 5- [(1E)- N- (2,4- dimethoxyphenyl)ethanimidoyl]- 6- hydroxy- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(c(c1)OC)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\C

STL056963
Synonyms: (5E)- 5- {[(2,3- dimethylcyclohexyl)amino]methylidene}- 1- (prop- 2- en- 1- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCN1C(=NC(=O)/C(=C\NC2CCCC(C2C)C)/C1=O)S

STL056968
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 4- fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL056969
Synonyms: 8- (3,5- dimethylpiperidin- 1- yl)- 6- hydroxy- 3- methyl- 7- {2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]ethyl}- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CC(C)CN(C1)c1nc2c(n1CCSc1nnc(s1)C)c(O)nc(=O)n2C

STL056976
Synonyms: (2E)- 7- (4- fluorophenyl)- 2- [(3- methylphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Fc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N\c1cccc(c1)C)/nc2

STL056979
Synonyms: 2- [(2- fluorobenzyl)sulfanyl]- 5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazole
Smiles: Fc1ccccc1CSc1nnc(o1)[C@@H]1CCCN1

STL056992
Synonyms: 2- {[4- (2- fluorophenyl)piperazin- 4- ium- 1- yl]carbonothioyl}phenolate
Smiles: Fc1ccccc1[NH+]1CCN(CC1)C(=S)c1ccccc1[O-]

STL056996
Synonyms: methyl6- [(methylsulfonyl)amino]- 12- oxo- 12H- quinoxalino[2,1- b]quinazoline- 9- carboxylate
Smiles: COC(=O)c1ccc2c(c1)nc1n(c2=O)c2ccccc2nc1NS(=O)(=O)C

STL057003
Synonyms: 2- {[(1,3- dimethyl- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]amino}- N,N,N- trimethylethanaminium
Smiles: CN1C(=S)N(C)C(=O)C(=CNCC[N+](C)(C)C)C1=O

STL057005
Synonyms: 2,6- bis[2- (3,4- dimethoxyphenyl)ethyl]hexahydro- 4,8- ethenopyrrolo[3,4- f]isoindole- 1,3,5,7(2H,6H)- tetrone
Smiles: COc1cc(CCN2C(=O)C3C(C2=O)C2C=CC3C3C2C(=O)N(C3=O)CCc2ccc(c(c2)OC)OC)ccc1OC

STL057009
Synonyms: 4- {(3E)- 2- (2- fluorophenyl)- 3- [hydroxy(4- methylphenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1ccc(cc1)S(=O)(=O)N)/O

STL057046
Synonyms: (5E)- 5- {[5- (5- chloro- 2- methylphenyl)furan- 2- yl]methylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C/c2ccc(o2)c2cc(Cl)ccc2C)/C(=N1)O

STL057049
Synonyms: N- [(2E)- 6- sulfamoyl- 1,3- benzothiazol- 2(3H)- ylidene]quinoline- 2- carboxamide
Smiles: O=C(c1ccc2c(n1)cccc2)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N

STL057057
Synonyms: (4Z)- 6- (3,4- dihydroisoquinolin- 2(1H)- ylmethyl)- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCc2c(C1)cccc2

STL057071
Synonyms: N- [(3Z)- 1,8- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STL057090
Synonyms: (2E)- 2- [(4- methylphenyl)imino]- 8- (propoxymethyl)- 7- oxa- 1- thia- 3- azaspiro[4.4]nonane- 4,6- dione
Smiles: CCCOCC1OC(=O)C2(C1)S/C(=N/c1ccc(cc1)C)/NC2=O

STL057098
Synonyms: 4- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STL057100
Synonyms: 4- [(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]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STL057102
Synonyms: 5- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}pentan- 1- amine
Smiles: NCCCCCc1nnc(o1)SCc1ccc(cc1)F

STL057107
Synonyms: 7- [2- (1,3- benzoxazol- 2- ylsulfanyl)ethyl]- 6- hydroxy- 3- methyl- 8- (4- methylpiperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(O)nc(=O)n2C

STL057127
Synonyms: 3- (2- bromophenoxy)- 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 4- oxo- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)Oc1ccccc1Br

STL057129
Synonyms: (5E)- 5- [(1- butyl- 2,3- dihydro- 1H- indol- 5- yl)methylidene]- 6- hydroxy- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)CC=C)O

STL057137
Synonyms: 2- {5- [(E)- (1- ethyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]- 2,4- dimethoxybenzyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CCN1C(=NC(=O)/C(=C\c2cc(CN3C(=O)c4c(C3=O)cccc4)c(cc2OC)OC)/C1=O)S

STL057145
Synonyms: 3- {[(1E)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]amino}benzoicacid
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2cccc(c2)C(=O)O)/CC)/C1=O)O

STL057152
Synonyms: N- cycloheptyl- N'- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCCCC2)/s1

STL057154
Synonyms: N'- [(1E)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CCCC)O)/C

STL057161
Synonyms: N- [(2Z)- 5- (1H- indol- 3- ylmethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=c\1/[nH]nc(s1)Cc1c[nH]c2c1cccc2

STL057163
Synonyms: (7- hydroxy- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 3- ium- 2- yl)acetate
Smiles: [O-]C(=O)Cc1nn2c([nH+]1)nc(cc2O)C

STL057164
Synonyms: 2- [(6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)sulfanyl]- 1- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]ethanone
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)SCC(=O)N1CCN(CC1)C(=O)c1ccco1

STL057170
Synonyms: 4- oxo- 4- (4- {[4- (propan- 2- yl)phenyl]sulfonyl}piperazin- 1- yl)- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)C

STL057172
Synonyms: (8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl3- nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])OCc1cc2cccc(c2[nH]c1=O)C

STL057175
Synonyms: (2E)- 7- (4- methylphenyl)- 2- [(3- methylphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Cc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N\c1cccc(c1)C)/nc2

STL057177
Synonyms: N- (2,4- dihydroxypyrimidin- 5- yl)- 2- (3- ethylphenoxy)acetamide
Smiles: CCc1cccc(c1)OCC(=O)Nc1cnc(nc1O)O

STL057180
Synonyms: N- (4- ethoxyphenyl)- Nalpha- (piperidin- 4- ylcarbonyl)phenylalaninamide
Smiles: CCOc1ccc(cc1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCNCC1

STL057183
Synonyms: (E)- (5- methylfuran- 2- yl){1'- [3- (morpholin- 4- ium- 4- yl)propyl]- 2,4',5'- trioxo- 1- propyl- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)N(CCC[NH+]1CCOCC1)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]

STL057192
Synonyms: 5- {[(2Z)- 3- (3- methylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1)C)CS(=O)(=O)C2

STL057217
Synonyms: 3- [5- (3,4,5- trimethoxyphenyl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: COc1cc(cc(c1OC)OC)c1onc(n1)c1cc2ccccc2[nH]c1=O

STL057220
Synonyms: 2- ({5- [1- amino- 2- (1H- indol- 3- yl)ethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetamide
Smiles: NC(=O)CSc1nnc(o1)C(Cc1c[nH]c2c1cccc2)N

STL057223
Synonyms: (5Z)- 3- tert- butyl- 5- {[(2,4- dimethoxyphenyl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cc(OC)ccc1N/C=C\1/C(=NC(=O)N(C1=O)C(C)(C)C)O

STL057227
Synonyms: 1- {5- [(3- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- methylbutan- 1- amine
Smiles: CCC(C(c1nnc(o1)SCc1cccc(c1)F)N)C

STL057231
Synonyms: (5E)- 3- butyl- 6- hydroxy- 5- (1- {[2- (1H- indol- 3- yl)ethyl]amino}ethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCc2c[nH]c3c2cccc3)/C)/C1=O)O

STL057239
Synonyms: 8- methyl- 3- [5- (2- methylphenyl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: Cc1ccccc1c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STL057263
Synonyms: 4- (4- hydroxyquinolin- 2- yl)- 3- methyl- 1- (4- nitrophenyl)- 1H- pyrazol- 5- olate
Smiles: Cc1nn(c(c1c1cc(O)c2c(n1)cccc2)[O-])c1ccc(cc1)[N+](=O)[O-]

STL057265
Synonyms: 5- [(5- chloro- 2- methoxybenzyl)sulfanyl]- 3- ethyl- 1H- 1,2,4- triazole
Smiles: CCc1n[nH]c(n1)SCc1cc(Cl)ccc1OC

STL057269
Synonyms: 2- [(3- chlorobenzyl)sulfanyl]- 5- (pyrrolidin- 2- yl)- 1,3,4- oxadiazole
Smiles: Clc1cccc(c1)CSc1nnc(o1)C1CCCN1

STL057273
Synonyms: 4- methyl- N- [(2Z)- 3- [(4- methylbenzyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Cc1ccc(cc1)CNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)C

STL057276
Synonyms: 3- [5- (2- chlorophenyl)- 1,2,4- oxadiazol- 3- yl]- 8- methylquinolin- 2(1H)- one
Smiles: Clc1ccccc1c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STL057278
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 1- (furan- 2- ylmethyl)- 5- (4- hydroxy- 3- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1Cc1ccco1

STL057283
Synonyms: (5E)- 5- {[1- (4- hydroxyphenyl)- 1H- pyrrol- 2- yl]methylidene}- 1- (4- methoxyphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cccn2c2ccc(cc2)O)/C1=O)S

STL057284
Synonyms: 4- {[(2- hydroxyethyl)amino]methyl}quinolin- 2(1H)- one
Smiles: OCCNCc1cc(=O)[nH]c2c1cccc2

STL057289
Synonyms: (5E)- 5- [1- (cyclopropylamino)ethylidene]- 6- hydroxy- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NC2CC2)/C)/C1=O)O

STL057290
Synonyms: (5E)- 5- ({[3- (4- fluorophenyl)- 3- (furan- 2- yl)propyl]amino}methylidene)- 1- methyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)C(c1ccco1)CCN/C=C/1\C(=O)N=C(N(C1=O)C)S

STL057292
Synonyms: 2- {5- [(2- methylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1ccccc1C

STL057300
Synonyms: 4- {[(2Z)- 3- (3- chlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1cccc(c1)Cl)CS(=O)(=O)C2

STL057303
Synonyms: 4- [(2E)- 2- {1- [(4- chlorophenyl)sulfanyl]propan- 2- ylidene}hydrazinyl]pyrimidin- 2(1H)- one
Smiles: Clc1ccc(cc1)SC/C(=N/Nc1cc[nH]c(=O)n1)/C

STL057312
Synonyms: (5E)- 1- (2,4- dimethylphenyl)- 4,6- dioxo- 5- {[(pyridinium- 3- ylmethyl)amino]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: Cc1ccc(c(c1)C)N1C(=NC(=O)/C(=C\NCc2ccc[nH+]c2)/C1=O)[S-]

STL057320
Synonyms: N- [(2E)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)- 4- oxobutanamide
Smiles: O=C(/N=c/1\[nH]nc(s1)C1CCCCC1)CCC(=O)N1CCC2(CC1)OCCO2

STL057338
Synonyms: 4- [(1E)- 1- {2- [(4- bromo- 3,5- dimethyl- 1H- pyrazol- 2- ium- 1- yl)acetyl]hydrazinylidene}ethyl]- 2- methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C(=N/NC(=O)Cn1[nH+]c(c(c1C)Br)C)/C

STL057348
Synonyms: (5Z)- 5- {[2,5- dimethyl- 1- (4- methylphenyl)- 1H- pyrrol- 3- yl]methylidene}- 6- hydroxy- 3- (3- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1)C)O

STL057349
Synonyms: 5- [(1E)- N- (2,4- dimethoxyphenyl)propanimidoyl]- 6- hydroxy- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(c(c1)OC)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\CC

STL057350
Synonyms: 4- oxo- 3- phenyl- 2- (trifluoromethyl)- 4H- chromen- 7- yldimethylcarbamate
Smiles: O=C(N(C)C)Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F

STL057351
Synonyms: (2Z)- 7- (3- chlorophenyl)- 2- [(4- methoxyphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1cccc(c1)Cl

STL057357
Synonyms: 4- (4- benzylpiperidin- 1- yl)- N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCC(CC2)Cc2ccccc2)/s1)C

STL057360
Synonyms: (4Z)- 4- [(4- chlorophenyl)imino]- 6- [(4- methylpiperidin- 1- yl)methyl]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: CC1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2)Cl)/[nH]1

STL057364
Synonyms: (8E)- 1- (4- chlorobenzyl)- 3,7- dimethyl- 8- [(2Z)- pentan- 2- ylidenehydrazinylidene]- 3,7,8,9- tetrahydro- 1H- purine- 2,6- dione
Smiles: CCC/C(=N\N=c\1/[nH]c2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Cl)/C

STL057377
Synonyms: 4- [4- (2- chlorobenzyl)piperazin- 1- yl]- N- [(4E)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]aniline
Smiles: Cc1[nH]/c(=N/c2ccc(cc2)N2CCN(CC2)Cc2ccccc2Cl)/c2c(n1)c1ccccc1o2

STL057384
Synonyms: tert- butyl[1- (5- {[(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methyl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)- 2- methylpropyl]carbamate
Smiles: O=C(OC(C)(C)C)NC(c1nnc(o1)SCc1c(C)nc(nc1O)O)C(C)C

STL057393
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)N

STL057400
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1ccccc1)N)C

STL057402
Synonyms: 6- amino- 3- tert- butyl- 4- (3,4- difluorophenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)F)F)c([nH]n2)C(C)(C)C

STL057403
Synonyms: methylN- (piperidin- 1- ylcarbonyl)- D- phenylalaninate
Smiles: COC(=O)[C@H](NC(=O)N1CCCCC1)Cc1ccccc1

STL057407
Synonyms: N- (2- {5- [3- (tert- butylamino)- 2- hydroxypropoxy]- 1H- indol- 3- yl}ethyl)acetamide
Smiles: OC(COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2)CNC(C)(C)C

STL057408
Synonyms: (4E)- 4- [(2E)- (2- hydroxybenzylidene)hydrazinylidene]- 3,4- dihydropyrimidin- 2(1H)- one
Smiles: Oc1ccccc1/C=N/N=c/1\cc[nH]c(=O)[nH]1

STL057410
Synonyms: 6- hydroxy- 8- [(2- hydroxyethyl)amino]- 3,7- dimethyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCNc1nc2c(n1C)c(O)nc(=O)n2C

STL057420
Synonyms: methyl[(2Z)- 5- [3- (2,4- dichlorophenoxy)propyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COC(=O)/N=c\1/[nH]nc(s1)CCCOc1ccc(cc1Cl)Cl

STL057437
Synonyms: N- [(2E)- 5- (2- methoxyethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- methylpropanamide
Smiles: COCCc1n[nH]/c(=N\C(=O)C(C)C)/s1

STL057439
Synonyms: (2Z)- 2- [(4- methylphenyl)imino]- 7- phenyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Cc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccccc1

STL057454
Synonyms: 3- {[(1Z)- 1- (1- benzyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C(/Nc2cccc(c2)C(=O)O)\C)/C(=O)N1Cc1ccccc1

STL057461
Synonyms: 5- (5- methyl- 1H- pyrazol- 3- yl)- 4- {[(E)- (2,3,4- trimethoxyphenyl)methylidene]amino}- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccc(c(c1OC)OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL057475
Synonyms: 8- chloro- 2,3- dihydro- 1H- phenothiazin- 4- ol
Smiles: Clc1ccc2c(c1)N=C1C(=C(O)CCC1)S2

STL057480
Synonyms: 5,5- dimethyl- 3- {(2E)- 2- [(2E)- (4- phenyl- 1,3- thiazol- 2(3H)- ylidene)hydrazinylidene]propyl}dihydrofuran- 2(3H)- one
Smiles: C/C(=N\N=c/1\scc([nH]1)c1ccccc1)/CC1CC(OC1=O)(C)C

STL057487
Synonyms: 4- (2- methoxyphenyl)- 1- (pentan- 2- yl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCCC(n1nc(c2c1N=C(O)CSC2c1ccccc1OC)O)C

STL057492
Synonyms: 2- ({(2Z)- 6- amino- 2- [(2- fluorophenyl)imino]- 5- nitro- 2,3- dihydropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1[nH]/c(=N/c2ccccc2F)/nc(c1[N+](=O)[O-])N

STL057503
Synonyms: (2E)- 3- [2- (benzyloxy)phenyl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1ccccc1OCc1ccccc1)/Sc1[nH]nc([nH+]1)C

STL057521
Synonyms: 2- [9- (4- ethoxyphenyl)- 7- hydroxy- 1- methyl- 2,4- dioxo- 1,4,6,7,8,9- hexahydropyrimido[2,1- f]purin- 3(2H)- yl]acetamide
Smiles: CCOc1ccc(cc1)N1CC(O)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)N

STL057529
Synonyms: 3- (3- bromo- 5- ethoxy- 4- hydroxyphenyl)- 5- (4- ethoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1cc(Br)c(c(c1)OCC)O)c1ccccc1

STL057537
Synonyms: methylN- [(4- methoxyphenyl)carbamoyl]methioninate
Smiles: CSCCC(C(=O)OC)NC(=O)Nc1ccc(cc1)OC

STL057550
Synonyms: 4- {[4- chloro- 6- (piperidin- 1- yl)- 1,3,5- triazin- 2- yl]amino}butanoicacid
Smiles: OC(=O)CCCNc1nc(Cl)nc(n1)N1CCCCC1

STL057556
Synonyms: (5Z)- 2,6- dihydroxy- 5- (1- {[3- (1H- imidazol- 1- yl)propyl]amino}ethylidene)pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(\NCCCn2ccnc2)/C)/C(=N1)O

STL057557
Synonyms: (5Z)- 2,6- dioxo- 5- (1- {[2- (piperazin- 1- ium- 1- yl)ethyl]amino}ethylidene)- 1- (prop- 2- en- 1- yl)- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCN1C(=O)N=C(/C(=C(/NCC[NH+]2CCNCC2)\C)/C1=O)[O-]

STL057562
Synonyms: 3- [(tert- butylamino)methyl]- 8- methylquinolin- 2(1H)- one
Smiles: O=c1[nH]c2c(C)cccc2cc1CNC(C)(C)C

STL057563
Synonyms: N- [(3Z)- 1,7- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 3,5- dimethoxybenzamide
Smiles: COc1cc(OC)cc(c1)C(=O)/N=c/1\[nH]n(c2c1cc1ccc(cc1n2)C)C

STL057571
Synonyms: N- (4- ethoxybenzyl)- 1- [2- (morpholin- 4- yl)ethyl]- 1H- benzimidazol- 2- amine
Smiles: CCOc1ccc(cc1)CNc1nc2c(n1CCN1CCOCC1)cccc2

STL057582
Synonyms: N- (2- {2- [(Z)- (1- cyclohexyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]- 1H- indol- 3- yl}ethyl)propanamide
Smiles: CCC(=O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)C2CCCCC2)O)[nH]c2c1cccc2

STL057605
Synonyms: propyl[4- (dimethylamino)phenyl][hydroxy(pyridin- 3- yl)methyl]phosphinate
Smiles: CCCOP(=O)(C(c1cccnc1)O)c1ccc(cc1)N(C)C

STL057609
Synonyms: 7- methyl- 3- [5- (propan- 2- yl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)c1noc(n1)C(C)C

STL057617
Synonyms: 2- [2- (4- amino- 1,2,5- oxadiazol- 3- yl)- 1H- benzimidazol- 1- yl]- N'- {(E)- [4- (dimethylamino)- 3- nitrophenyl]methylidene}acetohydrazide
Smiles: O=C(Cn1c(nc2c1cccc2)c1nonc1N)N/N=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C

STL057624
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazole
Smiles: Clc1ccccc1CSc1nnc(o1)[C@@H]1CCCN1

STL057628
Synonyms: 4- (1,3- dihydro- 2H- isoindolium- 2- yl)benzoate
Smiles: [O-]C(=O)c1ccc(cc1)[NH+]1Cc2c(C1)cccc2

STL057633
Synonyms: (2R)- 2- amino- N'- [(E)- (2- chloro- 7- methylquinolin- 3- yl)methylidene]propanehydrazide(non- preferredname)
Smiles: O=C([C@H](N)C)N/N=C/c1cc2ccc(cc2nc1Cl)C

STL057635
Synonyms: 2- (4- methylphenyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: Cc1ccc(cc1)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL057641
Synonyms: 2- ({(2Z)- 6- amino- 2- [(4- methoxyphenyl)imino]- 5- nitro- 2,3- dihydropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1[nH]/c(=N/c2ccc(cc2)OC)/nc(c1[N+](=O)[O-])N

STL057642
Synonyms: N- [(2Z)- 3- {[4- (butan- 2- yl)phenyl]amino}quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: CCC(c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccccc1)C

STL057644
Synonyms: N- [(3Z)- 1,7- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 2- fluorobenzamide
Smiles: Cc1ccc2c(c1)nc1c(c2)/c(=N/C(=O)c2ccccc2F)/[nH]n1C

STL057645
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1c(C)nc(nc1O)O)NC(=O)OC(C)(C)C)C

STL057653
Synonyms: 2,2- diphenyl- 4- (4- phenylpiperazin- 1- yl)butanenitrile
Smiles: N#CC(c1ccccc1)(c1ccccc1)CCN1CCN(CC1)c1ccccc1

STL057656
Synonyms: (2Z)- 7- (4- fluorophenyl)- 2- [(4- methylphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Cc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)F

STL057663
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)phenolate
Smiles: [O-]c1ccccc1c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)C

STL057670
Synonyms: 4- [4- (5- fluoro- 2- methoxybenzyl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2cc(F)ccc2OC)/s1

STL057673
Synonyms: (5E)- 6- hydroxy- 5- {1- [2- (naphthalen- 1- yl)hydrazinyl]ethylidene}- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NNc2cccc3c2cccc3)/C)/C1=O)O

STL057677
Synonyms: (5E)- 2,6- dioxo- 1- phenyl- 5- {1- [(pyridinium- 3- ylmethyl)amino]ethylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NCc1ccc[nH+]c1

STL057682
Synonyms: 2- methylpropyl[(2Z)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N/C(=O)OCC(C)C)/s1

STL057713
Synonyms: 1- [(4- methylphenyl)sulfonyl]- N- [(2S)- 1- {[3- methyl- 1- (pyridin- 2- yl)- 1H- pyrazol- 5- yl]amino}- 4- (methylsulfanyl)- 1- oxobutan- 2- yl]piperidine- 4- carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1cc(nn1c1ccccn1)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STL057715
Synonyms: methylN- {[2- (4- chlorophenyl)ethyl]carbamoyl}- D- methioninate
Smiles: COC(=O)[C@H](NC(=O)NCCc1ccc(cc1)Cl)CCSC

STL057722
Synonyms: 2- [4- (2- bromo- 4- chlorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Clc1ccc(c(c1)Br)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL057739
Synonyms: (5Z)- 1- benzyl- 5- {[(1- phenylethyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CC(c1ccccc1)N/C=C\1/C(=O)N=C(N(C1=O)Cc1ccccc1)S

STL057742
Synonyms: 4- {[(E)- (4- tert- butylphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/c1ccc(cc1)C(C)(C)C)c1n[nH]c(c1)c1ccccc1

STL057745
Synonyms: 5- benzyl- 3- (4- chlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(cc1)C1=NOC2C1C(=O)N(C2=O)Cc1ccccc1

STL057749
Synonyms: 4- oxo- 4- (4- phenylpiperazin- 1- yl)- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(N1CCN(CC1)c1ccccc1)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STL057753
Synonyms: 7- (2,4- dimethoxyphenyl)- 4- hydroxy- 9- (trifluoromethyl)thieno[2,3- b:4,5- b']dipyridin- 2(1H)- one
Smiles: COc1cc(OC)ccc1c1nc2sc3c(c2c(c1)C(F)(F)F)[nH]c(=O)cc3O

STL057757
Synonyms: 6'- amino- 3'- methyl- 2- oxo- 1- (2- phenylethyl)- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)CCc1ccccc1)c(C)[nH]n2

STL057762
Synonyms: 6- [(dimethylammonio)methyl]- 3- (ethoxycarbonyl)- 2- methyl- 1- benzofuran- 5- olate
Smiles: CCOC(=O)c1c(C)oc2c1cc([O-])c(c2)C[NH+](C)C

STL057773
Synonyms: 4- [4- (4,6- dimethylpyrimidin- 2- yl)piperazin- 1- yl]- 2- phenyl[1]benzofuro[3,2- d]pyrimidine
Smiles: Cc1cc(C)nc(n1)N1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STL057779
Synonyms: 2- (furan- 2- yl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)c1ccco1

STL057799
Synonyms: 1- (2- {[4- (ethoxycarbonyl)phenyl]amino}- 2- oxoethyl)- 3- (4- methylphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)C

STL057804
Synonyms: 1- [2- (4- ethoxyphenyl)- 2- oxoethyl]- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: CCOc1ccc(cc1)C(=O)Cn1cc([n+]2c1CCC2)c1ccccc1

STL057808
Synonyms: 4- {4- [2- (4- methylphenoxy)ethyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: Cc1ccc(cc1)OCCN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(C)C

STL057811
Synonyms: 2- (4- hydroxyquinolin- 2- yl)- 1- oxo- 1H- inden- 3- olate
Smiles: O=C1c2ccccc2C(=C1c1cc(O)c2c(n1)cccc2)[O-]

STL057850
Synonyms: 1- (10- carboxy- 2- hydroxydecyl)piperidinium
Smiles: OC(=O)CCCCCCCCC(C[NH+]1CCCCC1)O

STL057851
Synonyms: 2- (acetylamino)- 3- [(5,8- dimethoxy- 2- methylquinolin- 4- yl)sulfanyl]propanoate
Smiles: COc1ccc(c2c1c(SCC(C(=O)[O-])NC(=O)C)cc(n2)C)OC

STL057854
Synonyms: 1- [2- (4- chlorophenyl)- 2- oxoethyl]- 3- (4- methoxyphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(cc1)Cl

STL057867
Synonyms: 1- {2- oxo- 2- [(4- phenoxyphenyl)amino]ethyl}- 3- phenyl- 5,6,7,7a- tetrahydro- 1H- pyrrolo[1,2- a]imidazol- 4- ium
Smiles: O=C(CN1C=C([NH+]2C1CCC2)c1ccccc1)Nc1ccc(cc1)Oc1ccccc1

STL057872
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccc(cc1OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL057874
Synonyms: 1- (4- fluorobenzyl)- 3- (4- fluorophenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Fc1ccc(cc1)Cn1cc([n+]2c1CCC2)c1ccc(cc1)F

STL057877
Synonyms: 1- (4- fluorobenzyl)- 3- (4- methoxyphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)Cc1ccc(cc1)F

STL057901
Synonyms: methyl[(2E)- 5- [(E)- 2- phenylethenyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COC(=O)/N=c/1\[nH]nc(s1)/C=C/c1ccccc1

STL057904
Synonyms: 4- {[(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL057916
Synonyms: 4- ({[4- ammonio- 5- (3- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzoate
Smiles: CCOc1cccc(c1)c1nnc(n1[NH3+])SCc1ccc(cc1)C(=O)[O-]

STL057918
Synonyms: 5- (5- methyl- 1H- pyrazol- 3- yl)- 4- {[(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]amino}- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1[nH]nc(c1)c1nnc(n1/N=C/C=C/c1ccccc1)S

STL057919
Synonyms: 1- [2- (1,3- benzodioxol- 5- ylamino)- 2- oxoethyl]- 3- (4- methylphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)Nc1ccc2c(c1)OCO2

STL057928
Synonyms: 4- [5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]pyridine
Smiles: C=CCn1c(SC/C=C/c2ccccc2)nnc1c1ccncc1

STL057929
Synonyms: 1- {2- [(4- ethoxyphenyl)amino]- 2- oxoethyl}- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: CCOc1ccc(cc1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccccc1

STL057933
Synonyms: 5- [2- hydroxy- 7- methoxy- 4- oxo- 3- (prop- 2- en- 1- yl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 5- yl]- 2,6- dioxo- 3- (prop- 2- en- 1- yl)- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCn1c(O)nc2c(c1=O)C(c1c(O2)ccc(c1)OC)c1c(=O)[nH]c(=O)n(c1[O-])CC=C

STL057937
Synonyms: ethyl(6E)- 4- amino- 6- (phenylimino)- 1,6- dihydro- 1,3,5- triazine- 2- carboxylate
Smiles: CCOC(=O)c1nc(N)n/c(=N/c2ccccc2)/[nH]1

STL057938
Synonyms: 6- (2- chlorophenyl)- 4- methyl- 5- nitro- 1,6- dihydropyrimidin- 2- ol
Smiles: OC1=NC(=C(C(N1)c1ccccc1Cl)[N+](=O)[O-])C

STL057941
Synonyms: 5- (2,4- dihydroxy- 9- methoxy- 5H- chromeno[2,3- d]pyrimidin- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1cccc2c1Oc1nc(O)nc(c1C2c1c([O-])[nH]c(=O)[nH]c1=O)O

STL057946
Synonyms: 2- {[2- (2- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccccc2Cl)nc2c(c1=O)cccc2

STL057947
Synonyms: 4- ({[2- (2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)- 3- phenylpropanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCC(CC1)CNC(=O)C(n1c(=O)[nH]c2c(c1=O)cccc2)Cc1ccccc1

STL057950
Synonyms: 6- ethyl- 3- (4- methoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCc1c(C)nc2n(c1O)nc(c2c1ccc(cc1)OC)C

STL057955
Synonyms: ethyl3- tert- butyl- 8- cyano- 3- hydroxy- 7- [4- (methoxycarbonyl)phenyl]- 5- methyl- 2,3- dihydro- 7H- [1,3]thiazolo[3,2- a]pyridine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N2C(=C(C1c1ccc(cc1)C(=O)OC)C#N)SCC2(O)C(C)(C)C

STL057963
Synonyms: 3'- (4- methoxyphenyl)- 4'- (phenylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(cc1)C1=NOC2(C1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STL057964
Synonyms: 2- hydroxy- 3- (3- methoxyphenyl)- 6- oxo- 5- (thiophen- 2- ylmethyl)- 3,6- dihydropyrimidin- 4- olate
Smiles: COc1cccc(c1)n1c(O)nc(=O)c(c1[O-])Cc1cccs1

STL057966
Synonyms: N- {[4- ({[(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]amino}methyl)cyclohexyl]carbonyl}valine
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)NC(C(=O)O)C(C)C

STL057967
Synonyms: 2- (3,4- dimethoxyphenyl)- N- [(2E)- 6- methoxy- 1,3- benzothiazol- 2(3H)- ylidene]acetamide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)Cc1ccc(c(c1)OC)OC)/[nH]2

STL057970
Synonyms: N- [3- oxo- 2- (trifluoromethyl)- 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazol- 2- yl]benzamide
Smiles: O=C(c1ccccc1)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F

STL057973
Synonyms: (5- methyl- 4,5- dihydrospiro[2- benzazepine- 3,1'- cyclopentan]- 2(1H)- yl)(morpholin- 4- yl)methanone
Smiles: O=C(N1Cc2ccccc2C(CC21CCCC2)C)N1CCOCC1

STL057978
Synonyms: 6'- [(4- methylphenyl)carbonyl]- 7'- phenyl- 1',6',7',7a'- tetrahydrospiro[indole- 3,5'- pyrrolo[1,2- c][1,3]thiazol]- 2(1H)- one
Smiles: Cc1ccc(cc1)C(=O)C1C(c2ccccc2)C2N(C31C(=O)Nc1c3cccc1)CSC2

STL057985
Synonyms: (3- {5- chloro- 4- [(4- fluorobenzyl)amino]- 6- oxopyridazin- 1(6H)- yl}tricyclo[3.3.1.1~3,7~]dec- 1- yl)aceticacid
Smiles: OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)NCc1ccc(cc1)F

STL057986
Synonyms: tetrahydrothiophene- 3,4- disulfonate1,1- dioxide
Smiles: O=S1(=O)CC(C(C1)S(=O)(=O)[O-])S(=O)(=O)[O-]

STL057995
Synonyms: 3'- (2,4- dimethoxyphenyl)- 4'- [(4- methylphenyl)carbonyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1

STL057998
Synonyms: 1- {[4- ({[(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]amino}methyl)cyclohexyl]carbonyl}piperidine- 4- carboxylicacid
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)N1CCC(CC1)C(=O)O

STL058001
Synonyms: 5- fluoro- 1'- methyl- 4'- (3- nitrophenyl)- 3'- (pyridin- 3- ylcarbonyl)spiro[indole- 3,2'- pyrrolidin]- 2(1H)- one
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C1C(=O)c1cccnc1)c1cccc(c1)[N+](=O)[O-])C(=O)N2

STL058004
Synonyms: N- {[4- ({[(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]amino}methyl)cyclohexyl]carbonyl}methionine
Smiles: CSCCC(C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2

STL058005
Synonyms: 4- [4,6- dichloro- 2- (pyridin- 2- yl)- 1H- indol- 3- yl]butanoicacid
Smiles: OC(=O)CCCc1c([nH]c2c1c(Cl)cc(c2)Cl)c1ccccn1

STL058009
Synonyms: 3'- (4- chlorophenyl)- 4'- [(3,4,5- trimethoxyphenyl)carbonyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1c(OC)cc(cc1OC)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)Cl

STL058010
Synonyms: ethyl2'- amino- 5- fluoro- 2,5'- dioxo- 1,2- dihydro- 5'H- spiro[indole- 3,4'- pyrano[3,2- c]chromene]- 3'- carboxylate
Smiles: CCOC(=O)C1=C(N)Oc2c(C31C(=O)Nc1c3cc(F)cc1)c(=O)oc1c2cccc1

STL058012
Synonyms: ethyl2'- amino- 5- chloro- 2,5'- dioxo- 1,2- dihydro- 5'H- spiro[indole- 3,4'- pyrano[3,2- c]chromene]- 3'- carboxylate
Smiles: CCOC(=O)C1=C(N)Oc2c(C31C(=O)Nc1c3cc(Cl)cc1)c(=O)oc1c2cccc1

STL058015
Synonyms: 3- [(4- methylbenzyl)sulfanyl]- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 4- amine
Smiles: Cc1ccc(cc1)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STL058016
Synonyms: 2- hydroxy- 1- methyl- 6- oxo- 5- propanoyl- 1,6- dihydropyrimidin- 4- olate
Smiles: CCC(=O)c1c([O-])nc(n(c1=O)C)O

STL058022
Synonyms: 3- (2,4- dimethoxyphenyl)- 6- (4- methylphenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- epoxy[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1cc(OC)ccc1C1=NOC2C1C1OC2C2C1C(=O)N(C2=O)c1ccc(cc1)C

STL058025
Synonyms: (5,6- dimethoxy- 1H- indol- 2- yl)(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058035
Synonyms: ({[4- ({[(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]amino}methyl)cyclohexyl]carbonyl}amino)(phenyl)aceticacid
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)NC(c1ccccc1)C(=O)O

STL058037
Synonyms: (6- methoxy- 1H- indol- 2- yl)(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058039
Synonyms: 4- [({[2- (tert- butoxycarbonyl)- 1,2,3,4- tetrahydroisoquinolin- 3- yl]carbonyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: O=C(C1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCC(CC1)C(=O)O

STL058042
Synonyms: 4- ({[(3- methyl- 2- oxo- 2,3- dihydro- 1,3- benzoxazol- 6- yl)sulfonyl]amino}methyl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C

STL058045
Synonyms: 3'- (3,4- dimethoxyphenyl)- 4'- (phenylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1cc(ccc1OC)C1=NOC2(C1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STL058047
Synonyms: 4- ({[2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 4- methylpentanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: CC(CC(n1c(O)nc2c(c1=O)cccc2)C(=O)NCC1CCC(CC1)C(=O)O)C

STL058048
Synonyms: 6- cyclopentyl- 1- (furan- 2- ylmethyl)- 2- hydroxy- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCC1)Cc1ccco1

STL058049
Synonyms: 4- ({[(7- methoxy- 2- oxo- 2H- chromen- 4- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: COc1ccc2c(c1)oc(=O)cc2CC(=O)NCC1CCC(CC1)C(=O)O

STL058050
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- bromophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STL058052
Synonyms: 2- [(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)carbonyl]cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCCCC1C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058054
Synonyms: 3'- (2,4- dimethoxyphenyl)- 4'- [(3- methoxyphenyl)carbonyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1C(=O)c1cccc(c1)OC)C(=O)Nc1c2cccc1

STL058055
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (morpholin- 4- yl)ethanone
Smiles: O=C(N1CCOCC1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STL058059
Synonyms: (5- fluoro- 1H- indol- 2- yl)(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058060
Synonyms: N- {[4- (1,3- benzodioxol- 5- ylcarbamoyl)cyclohexyl]methyl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C(C1CCC(CC1)CNC(=O)C1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCO2

STL058064
Synonyms: 3- [2- (dipropan- 2- ylamino)ethyl]- 8- ethoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCOc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)CCN(C(C)C)C(C)C

STL058066
Synonyms: 3'- (2,5- dimethoxyphenyl)- 4'- (thiophen- 2- ylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(c(c1)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1)OC

STL058071
Synonyms: 4- ({[3- (1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CCN1C(=O)C2N(C1=O)Cc1c(C2)cccc1)NCC1CCC(CC1)C(=O)O

STL058072
Synonyms: 3- (1H- indol- 3- yl)- 2- methyl- N- (pyridin- 2- ylmethyl)propanamide
Smiles: CC(C(=O)NCc1ccccn1)Cc1c[nH]c2c1cccc2

STL058073
Synonyms: 3'- (2,5- dimethoxyphenyl)- 4'- [(4- propoxyphenyl)carbonyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: CCCOc1ccc(cc1)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1cc(OC)ccc1OC

STL058075
Synonyms: 1H- indol- 7- yl(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methanone
Smiles: O=C(c1cccc2c1[nH]cc2)N1CC2(CC1CC(C2)(C)C)C

STL058079
Synonyms: 3'- (4- chlorophenyl)- 4'- [(3- methoxyphenyl)carbonyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)Cl

STL058089
Synonyms: 4- ({[3- methyl- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: CC(C(n1nnc2c(c1=O)cccc2)C(=O)NCC1CCC(CC1)C(=O)O)C

STL058093
Synonyms: 5- [2- hydroxy- 7- nitro- 4- oxo- 3- (prop- 2- en- 1- yl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 5- yl]- 2,6- dioxo- 3- (prop- 2- en- 1- yl)- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCn1c(O)nc2c(c1=O)C(c1c(O2)ccc(c1)[N+](=O)[O-])c1c(=O)[nH]c(=O)n(c1[O-])CC=C

STL058094
Synonyms: N- {[4- ({[(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]amino}methyl)cyclohexyl]carbonyl}leucine
Smiles: CC(CC(C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2)C

STL058095
Synonyms: 4- (7- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 1- yl)benzoate
Smiles: Cc1ccc2c(c1)nc1c(c2)CCN1c1ccc(cc1)C(=O)[O-]

STL058096
Synonyms: 3'- (4- methylphenyl)- 4'- (phenylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: Cc1ccc(cc1)C1=NOC2(C1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STL058101
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 4- amine
Smiles: Nn1c(nnc1c1n[nH]c(c1)C)SCc1c(Cl)cccc1Cl

STL058109
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- 1- (2,5- dimethoxyphenyl)ethanone
Smiles: COc1ccc(c(c1)C(=O)CSc1nnc(s1)SCc1ccccc1)OC

STL058110
Synonyms: 4- {[(1,2,3,4- tetrahydroisoquinolin- 3- ylcarbonyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(C1NCc2c(C1)cccc2)NCC1CCC(CC1)C(=O)O

STL058112
Synonyms: 4- [({N- [(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]leucyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CC(CC(C(=O)NCC1CCC(CC1)C(=O)O)NC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2)C

STL058114
Synonyms: N- ({4- [(3- methylphenyl)carbamoyl]cyclohexyl}methyl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: Cc1cccc(c1)NC(=O)C1CCC(CC1)CNC(=O)C1NCc2c(C1)cccc2

STL058120
Synonyms: 4- [5- chloro- 2- (pyridin- 2- yl)- 1H- indol- 3- yl]butanoate
Smiles: [O-]C(=O)CCCc1c([nH]c2c1cc(Cl)cc2)c1ccccn1

STL058122
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl)C

STL058123
Synonyms: N- {[4- ({[(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]amino}methyl)cyclohexyl]carbonyl}phenylalanine
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)NC(C(=O)O)Cc1ccccc1

STL058127
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- chloro- 4,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STL058133
Synonyms: 3'- (2,4- dimethoxyphenyl)- 4'- (phenylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STL058136
Synonyms: 6'- (1,3- benzodioxol- 5- ylcarbonyl)- 5- fluoro- 7'- phenyl- 1',6',7',7a'- tetrahydrospiro[indole- 3,5'- pyrrolo[1,2- c][1,3]thiazol]- 2(1H)- one
Smiles: Fc1ccc2c(c1)C1(C(=O)N2)N2CSCC2C(C1C(=O)c1ccc2c(c1)OCO2)c1ccccc1

STL058141
Synonyms: N- ({4- [(furan- 2- ylmethyl)carbamoyl]cyclohexyl}methyl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C(C1NCc2c(C1)cccc2)NCC1CCC(CC1)C(=O)NCc1ccco1

STL058142
Synonyms: 1- (2- methylphenyl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: [O-]c1cc(=O)n(c(=O)[nH]1)c1ccccc1C

STL058143
Synonyms: 1- [2- (4- fluorophenyl)ethyl]- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: Fc1ccc(cc1)CCn1c(=O)cc([nH]c1=O)[O-]

STL058152
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3,4- dichlorophenyl)ethanone
Smiles: Brc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1cccnc1

STL058158
Synonyms: 5- fluoro- 7'- phenyl- 6'- (phenylcarbonyl)- 1',6',7',7a'- tetrahydrospiro[indole- 3,5'- pyrrolo[1,2- c][1,3]thiazol]- 2(1H)- one
Smiles: Fc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2ccccc2)C(C2N1CSC2)c1ccccc1

STL058159
Synonyms: 3- [(6- chloro- 2- methylquinolin- 4- yl)sulfanyl]propanoate
Smiles: [O-]C(=O)CCSc1cc(C)nc2c1cc(Cl)cc2

STL058166
Synonyms: N- {[4- ({[(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]amino}methyl)cyclohexyl]carbonyl}isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2)C

STL058167
Synonyms: 4- [({[4- ({[(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]amino}methyl)cyclohexyl]carbonyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)NCC1CCC(CC1)C(=O)O

STL058170
Synonyms: 1- [(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)carbonyl]imidazolidin- 2- one
Smiles: O=C1NCCN1C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058171
Synonyms: (4Z)- 4- [(2- methylphenyl)imino]- 6- [(4- methylpiperazin- 1- yl)methyl]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: CN1CCN(CC1)Cc1nc(N)n/c(=N\c2ccccc2C)/[nH]1

STL058174
Synonyms: 5- fluoro- 1'- methyl- 4'- (3- nitrophenyl)- 3'- (pyridin- 4- ylcarbonyl)spiro[indole- 3,2'- pyrrolidin]- 2(1H)- one
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C1C(=O)c1ccncc1)c1cccc(c1)[N+](=O)[O-])C(=O)N2

STL058180
Synonyms: 2,5- dichloro- N- [3- (1H- tetrazol- 1- yl)phenyl]benzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1cccc(c1)n1cnnn1)Cl

STL058182
Synonyms: 3'- (2,4- dimethoxyphenyl)- 4'- (thiophen- 2- ylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STL058183
Synonyms: 3'- (2,5- dimethoxyphenyl)- 4'- (naphthalen- 2- ylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(c(c1)C1=NOC2(C1C(=O)c1ccc3c(c1)cccc3)C(=O)Nc1c2cccc1)OC

STL058186
Synonyms: 4- acetyl- N- methyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: CC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C

STL058189
Synonyms: {3- [5- chloro- 4- (naphthalen- 1- ylamino)- 6- oxopyridazin- 1(6H)- yl]tricyclo[3.3.1.1~3,7~]dec- 1- yl}aceticacid
Smiles: OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1cccc2c1cccc2

STL058192
Synonyms: 6- (benzylsulfonyl)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]octane
Smiles: CC1(C)CC2CC(C1)(C)CN2S(=O)(=O)Cc1ccccc1

STL058193
Synonyms: 5- [2- hydroxy- 4- oxo- 3- (prop- 2- en- 1- yl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 5- yl]- 2,6- dioxo- 3- (prop- 2- en- 1- yl)- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCn1c(O)nc2c(c1=O)C(c1c(O2)cccc1)c1c(=O)[nH]c(=O)n(c1[O-])CC=C

STL058194
Synonyms: N,N,N',N'- tetramethyl- N- {2- [(3- methylcyclohexyl)oxy]- 2- oxoethyl}- N'- {2- [5- methyl- 2- (propan- 2- yl)cyclohexyl]- 2- oxoethyl}decane- 1,10- diaminium
Smiles: CC1CCCC(C1)OC(=O)C[N+](CCCCCCCCCC[N+](CC(=O)C1CC(C)CCC1C(C)C)(C)C)(C)C

STL058201
Synonyms: 3- butyl- 5- (3- butyl- 2- hydroxy- 7- methoxy- 4- oxo- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: CCCCn1c(O)nc2c(c1=O)C(c1c(O2)ccc(c1)OC)c1c(=O)[nH]c(=O)n(c1[O-])CCCC

STL058202
Synonyms: 2- {[4- amino- 5- (furan- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1N)c1ccco1

STL058204
Synonyms: 2- (acetylamino)- 3- [(2- methylquinolin- 4- yl)sulfanyl]propanoate
Smiles: CC(=O)NC(C(=O)[O-])CSc1cc(C)nc2c1cccc2

STL058208
Synonyms: 1'- methyl- 4'- (3- nitrophenyl)- 3'- (pyridin- 4- ylcarbonyl)spiro[indole- 3,2'- pyrrolidin]- 2(1H)- one
Smiles: O=C(C1C(CN(C21C(=O)Nc1c2cccc1)C)c1cccc(c1)[N+](=O)[O-])c1ccncc1

STL058214
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (5- bromopyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Br)CSc1nnc(n1N)c1n[nH]c(c1)C

STL058222
Synonyms: 4'- (phenylcarbonyl)- 3'- [(E)- 2- phenylethenyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: O=C(C1C(=NOC21C(=O)Nc1c2cccc1)/C=C/c1ccccc1)c1ccccc1

STL058223
Synonyms: 3'- (4- methylphenyl)- 4'- [(4- methylphenyl)carbonyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: Cc1ccc(cc1)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)C

STL058229
Synonyms: 4- hydroxy- 3,6,6- trimethyl- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxylate
Smiles: OC1CC(C)(C)Cc2c1c(C)c(o2)C(=O)[O-]

STL058234
Synonyms: 2- amino- 5- (4- fluorophenyl)- 6- hydroxy- 8,8- dimethyl- 5,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Fc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c(n2)N)(C)C

STL058235
Synonyms: N- {5- [(3- phenylpropyl)sulfanyl]- 1H- 1,2,4- triazol- 3- yl}acetamide
Smiles: CC(=O)Nc1n[nH]c(n1)SCCCc1ccccc1

STL058243
Synonyms: 3- butyl- 5- (3- butyl- 2- hydroxy- 4- oxo- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: CCCCn1c(O)nc2c(c1=O)C(c1c(O2)cccc1)c1c(=O)[nH]c(=O)n(c1[O-])CCCC

STL058257
Synonyms: 3'- (2,5- dimethoxyphenyl)- 4'- [(4- methylphenyl)carbonyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(c(c1)C1=NOC2(C1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)OC

STL058263
Synonyms: 2- [2- oxo- 2- (1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)ethyl]- 1,2- benzothiazol- 3(2H)- one1,1- dioxide
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)CN1C(=O)c2c(S1(=O)=O)cccc2

STL058266
Synonyms: N- (6- methylheptan- 2- yl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: CC(CCCC(NC(=O)C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)C)C

STL058267
Synonyms: 5- methoxy- 2- (3- methyl- 1'- phenyl- 1H,1'H- 4,4'- bipyrazol- 5- yl)phenol
Smiles: COc1ccc(c(c1)O)c1[nH]nc(c1c1cnn(c1)c1ccccc1)C

STL058273
Synonyms: 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- oxo- N- (pyridin- 4- ylmethyl)- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)NCc1ccncc1

STL058283
Synonyms: 4- [(E)- 2- (5- chloro- 1- methyl- 1H- indol- 3- yl)ethenyl]- 1- methylpyridinium
Smiles: Clc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)cn2C

STL058286
Synonyms: 5- fluoro- 4'- (3- fluorophenyl)- 1,1'- dimethyl- 3''- (prop- 2- en- 1- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: C=CCN1C(=S)SC2(C1=O)C(CN(C12C(=O)N(c2c1cc(F)cc2)C)C)c1cccc(c1)F

STL058290
Synonyms: 1,2- dimethyl- 6- [(E)- 2- (5- methyl- 1H- indol- 3- yl)ethenyl]pyridinium
Smiles: Cc1ccc2c(c1)c(c[nH]2)/C=C/c1cccc([n+]1C)C

STL058292
Synonyms: 5- fluoro- 3''- (4- methoxybenzyl)- 1,1'- dimethyl- 4'- (pyridin- 2- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: COc1ccc(cc1)CN1C(=S)SC2(C1=O)C(CN(C12c2cc(F)ccc2N(C1=O)C)C)c1ccccn1

STL058300
Synonyms: 3''- benzyl- 5- chloro- 1,1'- dimethyl- 4'- (pyridin- 3- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: Clc1ccc2c(c1)C1(N(C)CC(C31SC(=S)N(C3=O)Cc1ccccc1)c1cccnc1)C(=O)N2C

STL058305
Synonyms: N,N- dimethyl- N- (naphthalen- 1- ylmethyl)prop- 2- en- 1- aminium
Smiles: C=CC[N+](Cc1cccc2c1cccc2)(C)C

STL058309
Synonyms: 5- (2- methoxyphenyl)- 1,3- dimethyl- 7- phenyl- 1,5- dihydro- 2H- pyrano[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: COc1ccccc1C1C=C(Oc2c1c(=O)n(c(=O)n2C)C)c1ccccc1

STL058311
Synonyms: N- cyclopentyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)NC1CCCC1

STL058313
Synonyms: 1- methyl- 4- [(E)- 2- (1,2,5- trimethyl- 1H- indol- 3- yl)ethenyl]pyridinium
Smiles: Cc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c(n2C)C

STL058314
Synonyms: 2- hydroxy- 3- [(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]- 6- methyl- 4H- pyran- 4- one
Smiles: COc1ccc(cc1)/C=C/C(=O)c1c(O)oc(cc1=O)C

STL058321
Synonyms: 4- [5- methyl- 2- (pyridin- 2- yl)- 1H- indol- 3- yl]butanoate
Smiles: [O-]C(=O)CCCc1c([nH]c2c1cc(C)cc2)c1ccccn1

STL058324
Synonyms: N- (2- methyl- 1,3- benzothiazol- 6- yl)- 2,3- dioxo- 1,2,3,4- tetrahydroquinoxaline- 6- carboxamide
Smiles: Cc1nc2c(s1)cc(cc2)NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2

STL058332
Synonyms: 7- phenyl- 2- sulfanyl- 6,7- dihydro- 5H- pyrano[2,3- d]pyrimidin- 4- ol
Smiles: Sc1nc2OC(CCc2c(n1)O)c1ccccc1

STL058333
Synonyms: (7- hydroxy- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)(pyrrolidin- 1- yl)methanone
Smiles: Cc1cc(O)n2c(n1)nc(n2)C(=O)N1CCCC1

STL058337
Synonyms: 1- methyl- 4- [(E)- 2- (5- methyl- 1H- indol- 3- yl)ethenyl]pyridinium
Smiles: Cc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c[nH]2

STL058339
Synonyms: 4'- [(3,4- dimethoxyphenyl)carbonyl]- 3'- (4- methylphenyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(cc1OC)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)C

STL058342
Synonyms: 7- bromo- 5- (2- chlorophenyl)- 3- methyl- 3H- 1,4- benzodiazepin- 2- ol
Smiles: Brc1ccc2c(c1)C(=NC(C(=N2)O)C)c1ccccc1Cl

STL058343
Synonyms: N- ({4- [(tetrahydrofuran- 2- ylmethyl)carbamoyl]cyclohexyl}methyl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C(C1CCC(CC1)CNC(=O)C1NCc2c(C1)cccc2)NCC1CCCO1

STL058346
Synonyms: 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- oxo- N- (4- phenylbutan- 2- yl)- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: CC(NC(=O)C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)CCc1ccccc1

STL058348
Synonyms: 1- (1,3- dimethyl- 2,4,6- trioxohexahydropyrimidin- 5- yl)cyclohexanecarboxylate
Smiles: CN1C(=O)C(C(=O)N(C1=O)C)C1(CCCCC1)C(=O)[O-]

STL058350
Synonyms: N- [(2Z)- 5- (3,4- dimethoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2,2- dimethylpropanamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)C(C)(C)C)/s1

STL058351
Synonyms: 3'- (2,4- dichlorophenyl)- 4'- (thiophen- 2- ylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: Clc1ccc(c(c1)Cl)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STL058353
Synonyms: 5- {[4- (pyrrolidin- 1- ylcarbonyl)- 1,3- thiazolidin- 3- yl]carbonyl}pyrrolidin- 2- one
Smiles: O=C1CCC(N1)C(=O)N1CSCC1C(=O)N1CCCC1

STL058354
Synonyms: 4- [5- (thiophen- 2- yl)- 3- (trifluoromethyl)- 1H- pyrazol- 1- yl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)n1nc(cc1c1cccs1)C(F)(F)F

STL058356
Synonyms: methyl[1- (pyridin- 2- yl)- 1H- imidazol- 2- yl]phosphinate
Smiles: [O-]P(=O)(c1nccn1c1ccccn1)C

STL058357
Synonyms: 4- [2- (pyridin- 2- yl)- 1H- indol- 3- yl]butanoate
Smiles: [O-]C(=O)CCCc1c([nH]c2c1cccc2)c1ccccn1

STL058360
Synonyms: 7- amino- 5- (3- fluorophenyl)- 2,4- dihydroxy- 5H- pyrano[2,3- d]pyrimidine- 6- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)F)c(O)nc(n2)O

STL058364
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (5- oxoprolyl)- 1,3- thiazolidine- 4- carboxamide
Smiles: O=C1CCC(N1)C(=O)N1CSCC1C(=O)Nc1ccc2c(c1)OCCO2

STL058369
Synonyms: N- benzyl- 2,6- dihydroxypyrimidine- 4- carboxamide
Smiles: Oc1nc(O)nc(c1)C(=O)NCc1ccccc1

STL058372
Synonyms: 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7- ol
Smiles: Oc1n2cnnc2nc2c1C1(CCCC1)Cc1c2cccc1

STL058376
Synonyms: 2- {4- [2- oxo- 4'- (thiophen- 2- ylcarbonyl)- 1,2- dihydro- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 3'- yl]phenoxy}acetamide
Smiles: NC(=O)COc1ccc(cc1)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STL058377
Synonyms: 4'- [(2,4- dimethoxyphenyl)carbonyl]- 3'- (4- methoxyphenyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(cc1)C1=NOC2(C1C(=O)c1ccc(cc1OC)OC)C(=O)Nc1c2cccc1

STL058383
Synonyms: 5- fluoro- 3''- (4- methoxybenzyl)- 1,1'- dimethyl- 4'- (pyridin- 4- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: COc1ccc(cc1)CN1C(=S)SC2(C1=O)C(CN(C12c2cc(F)ccc2N(C1=O)C)C)c1ccncc1

STL058391
Synonyms: 3- (5- oxoprolyl)- N- (pyridin- 4- ylmethyl)- 1,3- thiazolidine- 4- carboxamide
Smiles: O=C(C1CSCN1C(=O)C1CCC(=O)N1)NCc1ccncc1

STL058397
Synonyms: 5- chloro- 4'- (furan- 2- yl)- 1,1'- dimethyl- 3''- (prop- 2- en- 1- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: C=CCN1C(=S)SC2(C1=O)C(CN(C12c2cc(Cl)ccc2N(C1=O)C)C)c1ccco1

STL058400
Synonyms: 4'- (furan- 2- ylcarbonyl)- 3'- (4- methylphenyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: Cc1ccc(cc1)C1=NOC2(C1C(=O)c1ccco1)C(=O)Nc1c2cccc1

STL058402
Synonyms: 5- chloro- 1,1'- dimethyl- 3''- (prop- 2- en- 1- yl)- 4'- (pyridin- 3- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: C=CCN1C(=S)SC2(C1=O)C(CN(C12c2cc(Cl)ccc2N(C1=O)C)C)c1cccnc1

STL058407
Synonyms: 5- fluoro- 3''- (furan- 2- ylmethyl)- 1,1'- dimethyl- 4'- (pyridin- 3- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C31SC(=S)N(C3=O)Cc1ccco1)c1cccnc1)C(=O)N2C

STL058409
Synonyms: N- (4- nitrophenyl)- 2- (2- oxo- 5- pentyltetrahydrofuran- 3- yl)acetamide
Smiles: CCCCCC1CC(C(=O)O1)CC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STL058410
Synonyms: ethyl1- {[2- (5- methoxy- 1,3- benzothiazol- 2- yl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindol- 7- yl]carbonyl}piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)C1C2C=CC3(C1C(=O)N(C3)c1nc3c(s1)ccc(c3)OC)O2

STL058426
Synonyms: 4- {[(5- nitropyridin- 2- yl)amino]methyl}cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCC(CC1)CNc1ccc(cn1)[N+](=O)[O-]

STL058432
Synonyms: (5E)- 5- [2- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)hydrazinylidene]- 3- (4- ethoxyphenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(/C(=N\Nc2c(C)n(n(c2=O)c2ccccc2)C)/C1=O)O

STL058434
Synonyms: 2- {4- [4'- (furan- 2- ylcarbonyl)- 2- oxo- 1,2- dihydro- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 3'- yl]phenoxy}acetamide
Smiles: NC(=O)COc1ccc(cc1)C1=NOC2(C1C(=O)c1ccco1)C(=O)Nc1c2cccc1

STL058435
Synonyms: 2- (furan- 2- ylmethyl)- 1- oxo- N- (3,4,5- trimethoxyphenyl)- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: COc1cc(NC(=O)C2C3C=CC4(C2C(=O)N(C4)Cc2ccco2)O3)cc(c1OC)OC

STL058436
Synonyms: 2- [(E)- 2- (5- chloro- 1- methyl- 1H- indol- 3- yl)ethenyl]- 1,6- dimethylpyridinium
Smiles: Clc1ccc2c(c1)c(/C=C/c1cccc([n+]1C)C)cn2C

STL058437
Synonyms: 2- [(6- ethyl- 4- hydroxy- 6- methyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(O)nc(nc1s2)SCC(=O)N

STL058438
Synonyms: 3- [(diphenylmethyl)amino]- 1,2,4- triazin- 5- ol
Smiles: Oc1cnnc(n1)NC(c1ccccc1)c1ccccc1

STL058448
Synonyms: N- nitropyridin- 4- amine
Smiles: [O-][N+](=O)Nc1ccncc1

STL058449
Synonyms: N- (3- methylbutyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: CC(CCNC(=O)C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)C

STL058450
Synonyms: ethyl3- [(5- hydroxy- 1,2,4- triazin- 3- yl)amino]benzoate
Smiles: CCOC(=O)c1cccc(c1)Nc1nncc(n1)O

STL058452
Synonyms: 4- ({[(2,2- dimethyl- 6- oxo- 3,4,6,7,8,9- hexahydro- 2H- cyclopenta[c]pyrano[2,3- h]chromen- 10- yl)oxy]acetyl}amino)- N- (propan- 2- yl)butanamide
Smiles: CC(NC(=O)CCCNC(=O)COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2)C

STL058456
Synonyms: N- (2- methoxyethyl)- 5- [(3- methoxyphenyl)carbonyl]- 3- methylimidazo[2,1- b][1,3]thiazole- 2- carboxamide
Smiles: COCCNC(=O)c1sc2n(c1C)c(cn2)C(=O)c1cccc(c1)OC

STL058457
Synonyms: 5- fluoro- 3''- (furan- 2- ylmethyl)- 1,1'- dimethyl- 4'- (pyridin- 4- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C31SC(=S)N(C3=O)Cc1ccco1)c1ccncc1)C(=O)N2C

STL058458
Synonyms: 3- [(2- ethyl- 6- methylphenyl)amino]- 6- methyl- 1,2,4- triazin- 5- ol
Smiles: CCc1cccc(c1Nc1nnc(c(n1)O)C)C

STL058463
Synonyms: 3- (5- oxoprolyl)- N- (3,4,5- trimethoxyphenyl)- 1,3- thiazolidine- 4- carboxamide
Smiles: COc1cc(NC(=O)C2CSCN2C(=O)C2CCC(=O)N2)cc(c1OC)OC

STL058468
Synonyms: 4- [(E)- 2- (2,5- dimethyl- 1H- indol- 3- yl)ethenyl]- 1- methylpyridinium
Smiles: Cc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c([nH]2)C

STL058474
Synonyms: 3'- (1,3- benzodioxol- 5- ylcarbonyl)- 4'- (4- chlorophenyl)- 1'- methylspiro[indole- 3,2'- pyrrolidin]- 2(1H)- one
Smiles: Clc1ccc(cc1)C1CN(C2(C1C(=O)c1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1)C

STL058475
Synonyms: 4- [(E)- 2- (5- fluoro- 1H- indol- 3- yl)ethenyl]- 1- methylpyridinium
Smiles: Fc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c[nH]2

STL058485
Synonyms: 4- [(E)- 2- (1- ethyl- 2- methyl- 1H- indol- 3- yl)ethenyl]- 1- methylpyridinium
Smiles: CCn1c(C)c(c2c1cccc2)/C=C/c1cc[n+](cc1)C

STL058486
Synonyms: 4'- [(3,4- dimethoxyphenyl)carbonyl]- 3'- (4- fluorophenyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1ccc(cc1OC)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)F

STL058492
Synonyms: 3'- (4- fluorophenyl)- 4'- (furan- 2- ylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: Fc1ccc(cc1)C1=NOC2(C1C(=O)c1ccco1)C(=O)Nc1c2cccc1

STL058495
Synonyms: 5,6- dimethylthieno[2,3- d]pyrimidine- 2,4- diol
Smiles: Oc1nc(O)c2c(n1)sc(c2C)C

STL058498
Synonyms: 4- {[cyclopentyl(morpholin- 4- ylcarbonyl)amino]methyl}- 1- (morpholin- 4- ylcarbonyl)pyridinium
Smiles: O=C(N(C1CCCC1)Cc1cc[n+](cc1)C(=O)N1CCOCC1)N1CCOCC1

STL058500
Synonyms: 3'- (4- methylphenyl)- 4'- (thiophen- 2- ylcarbonyl)- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: Cc1ccc(cc1)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STL058504
Synonyms: 3- (5- oxoprolyl)- N- [4- (trifluoromethyl)phenyl]- 1,3- thiazolidine- 4- carboxamide
Smiles: O=C(C1CSCN1C(=O)C1CCC(=O)N1)Nc1ccc(cc1)C(F)(F)F

STL058515
Synonyms: 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- oxo- N- (3- phenylpropyl)- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)NCCCc1ccccc1

STL058520
Synonyms: 2- (5- chloro- 2- oxo- 1,3- benzoxazol- 3(2H)- yl)- N- (2- methylcyclohexyl)acetamide
Smiles: O=C(Cn1c(=O)oc2c1cc(Cl)cc2)NC1CCCCC1C

STL058522
Synonyms: N- butyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: CCCCNC(=O)C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2

STL058529
Synonyms: 3- butyl- 5- (2,4- dichlorobenzyl)- 6- hydroxy- 2- oxo- 2,3- dihydropyrimidin- 4- olate
Smiles: CCCCn1c(=O)nc(c(c1[O-])Cc1ccc(cc1Cl)Cl)O

STL058532
Synonyms: 5- acetyl- 3- methyl- 6- oxo- 2- sulfanyl- 3,6- dihydropyrimidin- 4- olate
Smiles: [O-]c1c(C(=O)C)c(=O)nc(n1C)S

STL058533
Synonyms: 4- ({[(7- hydroxy- 2- oxo- 2H- chromen- 4- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1cc(=O)oc2c1ccc(c2)O)NCC1CCC(CC1)C(=O)O

STL058534
Synonyms: 1- [4- (piperidin- 1- ylmethyl)- 3- (propan- 2- yloxy)phenyl]ethanone
Smiles: CC(Oc1cc(ccc1CN1CCCCC1)C(=O)C)C

STL058538
Synonyms: 2- (butan- 2- yloxy)- N,N- dimethyl- 2- oxo- N- {2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethyl}ethanaminium
Smiles: CCC(OC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C)C

STL058540
Synonyms: 5- methoxy- 1,1'- dimethyl- 3''- (prop- 2- en- 1- yl)- 4'- (thiophen- 2- yl)- 2''- thioxo- 4''H- dispiro[indole- 3,2'- pyrrolidine- 3',5''- [1,3]thiazolidine]- 2,4''(1H)- dione
Smiles: C=CCN1C(=S)SC2(C1=O)C(CN(C12c2cc(OC)ccc2N(C1=O)C)C)c1cccs1

STL058541
Synonyms: 5- chloro- 2- (methylsulfonyl)pyrimidine- 4- carboxylate
Smiles: [O-]C(=O)c1nc(ncc1Cl)S(=O)(=O)C

STL058545
Synonyms: N- ethyl- 2- hydroxy- 2- phenylpropan- 1- aminium
Smiles: CC[NH2+]CC(c1ccccc1)(O)C

STL058548
Synonyms: (2- butyl- 4- chloro- 1- {[2'- (1H- tetrazol- 5- yl)biphenyl- 4- yl]methyl}- 1H- imidazol- 5- yl)methanolate
Smiles: CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C[O-])Cl

STL058549
Synonyms: 3- butyl- 5- (4- fluorobenzyl)- 6- hydroxy- 2- oxo- 2,3- dihydropyrimidin- 4- olate
Smiles: CCCCn1c(=O)nc(c(c1[O-])Cc1ccc(cc1)F)O

STL058551
Synonyms: 5- (2,6- dichlorobenzyl)- 6- hydroxy- 3- (2- methylphenyl)- 2- oxo- 2,3- dihydropyrimidin- 4- olate
Smiles: Oc1nc(=O)n(c(c1Cc1c(Cl)cccc1Cl)[O-])c1ccccc1C

STL058557
Synonyms: 2- [(E)- 2- (5- fluoro- 2- methyl- 1H- indol- 3- yl)ethenyl]- 1,6- dimethylpyridinium
Smiles: Fc1ccc2c(c1)c(/C=C/c1cccc([n+]1C)C)c([nH]2)C

STL058559
Synonyms: 3- (4- bromophenyl)- N,N- dimethyl- 3- (pyridin- 2- yl)propan- 1- amine
Smiles: CN(CCC(c1ccccn1)c1ccc(cc1)Br)C

STL058564
Synonyms: 2- [(dioxido- lambda~5~- phosphanyl)methyl]butanedioate
Smiles: [O-]C(=O)CC(C(=O)[O-])CP(=O)[O-]

STL058566
Synonyms: 1- (4- ethylpiperazin- 1- yl)- 2- (4- hydroxyphthalazin- 1- yl)ethanone
Smiles: CCN1CCN(CC1)C(=O)Cc1nnc(c2c1cccc2)O

STL058571
Synonyms: (2E)- N- [5- (4- bromophenyl)- 1H- pyrazol- 3- yl]- 3- phenylprop- 2- enamide
Smiles: O=C(Nc1n[nH]c(c1)c1ccc(cc1)Br)/C=C/c1ccccc1

STL058574
Synonyms: ethyl1- {N- [(4- hydroxyphthalazin- 1- yl)acetyl]alanyl}piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)C(NC(=O)Cc1nnc(c2c1cccc2)O)C

STL058576
Synonyms: 4,7,7- trimethyl- 3- oxo- N- phenylbicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1ccccc1

STL058585
Synonyms: 2- {4- [(2- oxocyclopentyl)methyl]phenyl}propanoate
Smiles: [O-]C(=O)C(c1ccc(cc1)CC1CCCC1=O)C

STL058586
Synonyms: N- [(2E)- 5- [2- (benzylamino)- 2- oxoethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3,4,5- trimethoxybenzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)/N=c/1\[nH]nc(s1)CC(=O)NCc1ccccc1

STL058588
Synonyms: 3- cycloheptyl- 6- hydroxy- 2- oxo- 5- propanoyl- 2,3- dihydropyrimidin- 4- olate
Smiles: CCC(=O)c1c(O)nc(=O)n(c1[O-])C1CCCCCC1

STL058597
Synonyms: 3- cycloheptyl- 6- hydroxy- 2- oxo- 2,3- dihydropyrimidin- 4- olate
Smiles: [O-]c1cc(O)nc(=O)n1C1CCCCCC1

STL058598
Synonyms: [5- (cyclohexylcarbamoyl)- 3- (2,4- dimethoxyphenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]aceticacid
Smiles: COc1cc(OC)ccc1C1=NOC(C1)(CC(=O)O)C(=O)NC1CCCCC1

STL058600
Synonyms: (3E)- 3- (hydroxyimino)- 4,7,7- trimethylbicyclo[2.2.1]heptane- 1- carboxylate
Smiles: O/N=C/1\CC2(C(C1(C)CC2)(C)C)C(=O)[O-]

STL058602
Synonyms: N- {1- oxo- 1- [(1- phenylethyl)amino]propan- 2- yl}- 4- {[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide
Smiles: CC(C(=O)NC(c1ccccc1)C)NC(=O)C1CCC(CC1)CNS(=O)(=O)c1ccccc1

STL058603
Synonyms: 4- [(E)- 2- (1- ethyl- 6- methoxy- 1H- indol- 3- yl)ethenyl]- 1- methylpyridinium
Smiles: COc1ccc2c(c1)n(CC)cc2/C=C/c1cc[n+](cc1)C

STL058605
Synonyms: 7- [2- (4- fluorophenyl)- 3- phenyl- 4- (phenylcarbamoyl)- 5- (propan- 2- yl)- 1H- pyrrol- 1- yl]- 3,5- dihydroxyheptanoate
Smiles: OC(CC(CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1

STL058609
Synonyms: 2- (4- hydroxy- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- N- (4- methoxybenzyl)ethanaminium
Smiles: COc1ccc(cc1)C[NH2+]CCC1(O)CCOC(C1)(C)C

STL058612
Synonyms: 3'- (4- fluorophenyl)- 4'- [(3- methoxyphenyl)carbonyl]- 4'H- spiro[indole- 3,5'- [1,2]oxazol]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)F

STL058614
Synonyms: 4- ({[(4- methylphenyl)sulfonyl]amino}methyl)- N- {2- oxo- 2- [(1- phenylethyl)amino]ethyl}cyclohexanecarboxamide
Smiles: O=C(NC(c1ccccc1)C)CNC(=O)C1CCC(CC1)CNS(=O)(=O)c1ccc(cc1)C

STL058617
Synonyms: 5- acetyl- 3- cycloheptyl- 6- hydroxy- 2- oxo- 2,3- dihydropyrimidin- 4- olate
Smiles: CC(=O)c1c(O)nc(=O)n(c1[O-])C1CCCCCC1

STL058618
Synonyms: {2- [(Z)- (1- benzyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]phenoxy}acetate
Smiles: [O-]C(=O)COc1ccccc1/C=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O

STL058621
Synonyms: 3- cyclohexyl- 6- hydroxy- 2- oxo- 5- propanoyl- 2,3- dihydropyrimidin- 4- olate
Smiles: CCC(=O)c1c(O)nc(=O)n(c1[O-])C1CCCCC1

STL058626
Synonyms: 4- [(E)- 2- (1,2- dimethyl- 1H- indol- 3- yl)ethenyl]- 1- methylpyridinium
Smiles: C[n+]1ccc(cc1)/C=C/c1c2ccccc2n(c1C)C

STL058628
Synonyms: 4- [(E)- 2- (1- ethyl- 2,5- dimethyl- 1H- indol- 3- yl)ethenyl]- 1- methylpyridinium
Smiles: CCn1c(C)c(c2c1ccc(c2)C)/C=C/c1cc[n+](cc1)C

STL058630
Synonyms: 2- (morpholin- 4- ylmethyl)- 6H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4- ol
Smiles: Oc1nc(CN2CCOCC2)nc2c1C1(CCCCC1)Cc1c2cccc1

STL058639
Synonyms: 1- [3- (dimethylamino)propyl]- 1- (4- fluorophenyl)- 1,3- dihydro- 2- benzofuran- 5- carbonitrile
Smiles: N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F

STL058641
Synonyms: {[3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- yl]oxy}acetate
Smiles: [O-]C(=O)COc1ccc2c(c1)occ(c2=O)c1csc(n1)C

STL058645
Synonyms: 4- {[(phenylsulfonyl)amino]methyl}- N- (pyridin- 2- ylmethyl)cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)CNS(=O)(=O)c1ccccc1)NCc1ccccn1

STL058648
Synonyms: [(7- ethyl- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl)sulfanyl]acetate
Smiles: CCn1c(SCC(=O)[O-])nc2c1c(O)nc(=O)n2C

STL058649
Synonyms: {[6- hydroxy- 3- methyl- 2- oxo- 7- (2- phenoxyethyl)- 3,7- dihydro- 2H- purin- 8- yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1nc2c(n1CCOc1ccccc1)c(O)nc(=O)n2C

STL058654
Synonyms: 6- hydroxy- 2- sulfanyl- 4- (thiophen- 2- yl)- 4,5- dihydropyridine- 3- carbonitrile
Smiles: N#CC1=C(S)N=C(CC1c1cccs1)O

STL058659
Synonyms: 7- {2- hydroxy- 3- [4- (methylsulfonyl)piperazin- 1- yl]propoxy}- 2,3- dihydrocyclopenta[c]chromen- 4(1H)- one
Smiles: OC(CN1CCN(CC1)S(=O)(=O)C)COc1ccc2c(c1)oc(=O)c1c2CCC1

STL058661
Synonyms: 4- (pyridin- 4- ylmethyl)phthalazin- 1- ol
Smiles: Oc1nnc(c2c1cccc2)Cc1ccncc1

STL058663
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 4- methyl- 3- oxo- 5- (thiophen- 2- ylmethyl)- 3,5- dihydro- 2H- pyrazolo[4,3- c]pyridin- 6- olate
Smiles: O=c1n(nc2c1c(C)n(c(c2)[O-])Cc1cccs1)c1nc2c(s1)cccc2

STL058668
Synonyms: 5- bromo- N- (1- hydroxy- 3- phenylpropan- 2- yl)- 2- (1H- tetrazol- 1- yl)benzamide
Smiles: OCC(NC(=O)c1cc(Br)ccc1n1cnnn1)Cc1ccccc1

STL058670
Synonyms: (6E)- 7- [4- (4- fluorophenyl)- 2- [methyl(methylsulfonyl)amino]- 6- (propan- 2- yl)pyrimidin- 5- yl]- 3,5- dihydroxyhept- 6- enoate
Smiles: OC(CC(CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C

STL058671
Synonyms: (6- hydroxy- 3- methyl- 2- oxo- 2,3- dihydro- 7H- purin- 7- yl)acetate
Smiles: [O-]C(=O)Cn1cnc2c1c(O)nc(=O)n2C

STL058673
Synonyms: 3- (8- bromo- 6- hydroxy- 3- methyl- 2- oxo- 2,3- dihydro- 7H- purin- 7- yl)propanoate
Smiles: [O-]C(=O)CCn1c(Br)nc2c1c(O)nc(=O)n2C

STL058674
Synonyms: (4aR,5R)- 2'- hydroxy- 8- nitro- 1'- (propan- 2- yl)- 1,2,4,4a- tetrahydro- 4'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 4',6'(1'H)- dione
Smiles: CC(N1C(=NC(=O)[C@@]2(C1=O)Cc1cc(ccc1N1[C@H]2COCC1)[N+](=O)[O-])O)C

STL058682
Synonyms: [(7- benzyl- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl)sulfanyl]acetate
Smiles: [O-]C(=O)CSc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STL058688
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 5- cyclopropyl- 4- methyl- 3- oxo- 3,5- dihydro- 2H- pyrazolo[4,3- c]pyridin- 6- olate
Smiles: O=c1n(nc2c1c(C)n(c(c2)[O-])C1CC1)c1nc2c(s1)cccc2

STL058689
Synonyms: 7- [2- hydroxy- 3- (4- phenylpiperazin- 1- yl)propoxy]- 4,8- dimethyl- 2H- chromen- 2- one
Smiles: OC(CN1CCN(CC1)c1ccccc1)COc1ccc2c(c1C)oc(=O)cc2C

STL058690
Synonyms: N,3- bis(2- chloroethyl)- 1,3,2- oxazaphosphinan- 2- amine2- oxide
Smiles: ClCCNP1(=O)OCCCN1CCCl

STL058696
Synonyms: 7- {2- hydroxy- 3- [(2- methoxyphenyl)amino]propoxy}- 3,4- dimethyl- 2H- chromen- 2- one
Smiles: COc1ccccc1NCC(COc1ccc2c(c1)oc(=O)c(c2C)C)O

STL058702
Synonyms: 1- (3- chloro- 4- methoxyphenyl)- 4- {3- [4- (dimethylamino)phenyl]- 1,2,4- oxadiazol- 5- yl}pyrrolidin- 2- one
Smiles: COc1ccc(cc1Cl)N1CC(CC1=O)c1onc(n1)c1ccc(cc1)N(C)C

STL058703
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 5- [2- (4- hydroxyphenyl)ethyl]- 4- methyl- 3- oxo- 3,5- dihydro- 2H- pyrazolo[4,3- c]pyridin- 6- olate
Smiles: Oc1ccc(cc1)CCn1c([O-])cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2

STL058710
Synonyms: 7- {3- [(4- acetylphenyl)amino]- 2- hydroxypropoxy}- 3,4- dimethyl- 2H- chromen- 2- one
Smiles: OC(CNc1ccc(cc1)C(=O)C)COc1ccc2c(c1)oc(=O)c(c2C)C

STL058714
Synonyms: [3- (acetylamino)tricyclo[3.3.1.1~3,7~]dec- 1- yl]methylnitrate
Smiles: CC(=O)NC12CC3CC(C1)CC(C2)(C3)CO[N+](=O)[O-]

STL058716
Synonyms: 4- methyl- 3- oxo- 2- phenyl- 5- (pyridin- 4- ylmethyl)- 3,5- dihydro- 2H- pyrazolo[4,3- c]pyridin- 6- olate
Smiles: [O-]c1cc2nn(c(=O)c2c(n1Cc1ccncc1)C)c1ccccc1

STL058719
Synonyms: (6- chloro- 1H- indol- 3- yl)(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)aceticacid
Smiles: OC(=O)C(c1c[nH]c2c1ccc(c2)Cl)N1CC2(CC1CC(C2)(C)C)C

STL058721
Synonyms: 1- (4- bromophenyl)- 2- [(3,5- dihydroxy- 1,2,4- triazin- 6- yl)sulfanyl]ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc(nc1O)O

STL058725
Synonyms: N- [4- ({3- [(3,4- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- 2- hydroxypropyl}amino)phenyl]acetamide
Smiles: OC(COc1ccc2c(c1)oc(=O)c(c2C)C)CNc1ccc(cc1)NC(=O)C

STL058726
Synonyms: 7- {2- hydroxy- 3- [4- (pyridin- 2- yl)piperazin- 1- yl]propoxy}- 3,4- dimethyl- 2H- chromen- 2- one
Smiles: OC(CN1CCN(CC1)c1ccccn1)COc1ccc2c(c1)oc(=O)c(c2C)C

STL058728
Synonyms: 7- {2- hydroxy- 3- [4- (pyridin- 2- yl)piperazin- 1- yl]propoxy}- 3,4,8- trimethyl- 2H- chromen- 2- one
Smiles: OC(CN1CCN(CC1)c1ccccn1)COc1ccc2c(c1C)oc(=O)c(c2C)C

STL058730
Synonyms: N- cyclopropyl- N- (1H- indol- 5- ylmethyl)- 2- [4- (1H- tetrazol- 1- yl)phenoxy]acetamide
Smiles: O=C(N(C1CC1)Cc1ccc2c(c1)cc[nH]2)COc1ccc(cc1)n1cnnn1

STL058732
Synonyms: methyl4- ({[2'- (2- methoxyethyl)- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinolin]- 4'- yl]carbonyl}amino)benzoate
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ccc(cc1)C(=O)OC

STL058739
Synonyms: 2'- (2- methoxyethyl)- N- (2- methylpropyl)- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NCC(C)C

STL058743
Synonyms: benzyl6- (4- ethoxyphenyl)- 2- hydroxy- 4- methyl- 1,6- dihydropyrimidine- 5- carboxylate
Smiles: CCOc1ccc(cc1)C1NC(=NC(=C1C(=O)OCc1ccccc1)C)O

STL058744
Synonyms: 4- (dimethylsulfamoyl)- N- [2- (phenylsulfonyl)- 2- (pyridin- 3- yl)ethyl]benzamide
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N(C)C)NCC(S(=O)(=O)c1ccccc1)c1cccnc1

STL058747
Synonyms: N'- [(1E)- 1- (2,4- dihydroxyquinolin- 3- yl)ethylidene]- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: C/C(=N\NC(=O)c1c(O)c2ccccc2n(c1=O)C)/c1c(O)nc2c(c1O)cccc2

STL058751
Synonyms: [1- (carboxymethyl)- 6- fluoro- 1H- indol- 3- yl](1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)aceticacid
Smiles: OC(=O)Cn1cc(c2c1cc(F)cc2)C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058756
Synonyms: ethyl6- (3- chlorophenyl)- 2- hydroxy- 4- phenyl- 1,6- dihydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1=C(N=C(NC1c1cccc(c1)Cl)O)c1ccccc1

STL058763
Synonyms: 5- fluoro- 5'- phenyl- 2',4'- dihydrospiro[indole- 3,3'- pyrazol]- 2(1H)- one
Smiles: Fc1ccc2c(c1)C1(NN=C(C1)c1ccccc1)C(=O)N2

STL058765
Synonyms: 2- (1- aminoethylidene)- 5,5- dimethylcyclohexane- 1,3- dione
Smiles: CC(=C1C(=O)CC(CC1=O)(C)C)N

STL058769
Synonyms: N- (2- methoxybenzyl)- 2'- (2- methoxyethyl)- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NCc1ccccc1OC

STL058775
Synonyms: N- cyclopropyl- N- (1H- indol- 6- ylmethyl)- 2- [4- (1H- tetrazol- 1- yl)phenoxy]acetamide
Smiles: O=C(N(C1CC1)Cc1ccc2c(c1)[nH]cc2)COc1ccc(cc1)n1cnnn1

STL058777
Synonyms: 1- hydroxy- 5- oxo- 9- oxa- 2,4- diazaspiro[5.5]undeca- 1,3- diene- 3- thiolate
Smiles: [S-]C1=NC(=O)C2(C(=N1)O)CCOCC2

STL058780
Synonyms: 2'- (2- methoxyethyl)- 1'- oxo- N- (propan- 2- yl)- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NC(C)C

STL058784
Synonyms: 2'- (2- methoxyethyl)- 1'- oxo- N- (1,3- thiazol- 2- yl)- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1nccs1

STL058786
Synonyms: 2'- (2- methoxyethyl)- N- (3- methylpyridin- 2- yl)- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ncccc1C

STL058788
Synonyms: 4- ({3- [carboxy(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methyl]- 1H- indol- 6- yl}amino)- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)Nc1ccc2c(c1)[nH]cc2C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058789
Synonyms: 5- [(2Z)- 3- chlorobut- 2- en- 1- yl]- 2,6- dihydroxy- 5- [(2- oxopyrrolidin- 1- yl)methyl]pyrimidin- 4(5H)- one
Smiles: C/C(=C/CC1(CN2CCCC2=O)C(=NC(=NC1=O)O)O)/Cl

STL058793
Synonyms: 2'- (2- methoxyethyl)- N- (4- methyl- 1,3- thiazol- 2- yl)- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1scc(n1)C

STL058794
Synonyms: [1- (carboxymethyl)- 1H- indol- 3- yl](1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)aceticacid
Smiles: OC(=O)Cn1cc(c2c1cccc2)C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058795
Synonyms: methyl4- {[(2'- benzyl- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinolin]- 4'- yl)carbonyl]amino}butanoate
Smiles: COC(=O)CCCNC(=O)C1c2ccccc2C(=O)N(C21CCCC2)Cc1ccccc1

STL058796
Synonyms: N- cyclopropyl- N- (1H- indol- 4- ylmethyl)- 2- [4- (1H- tetrazol- 1- yl)phenoxy]acetamide
Smiles: O=C(N(C1CC1)Cc1cccc2c1cc[nH]2)COc1ccc(cc1)n1cnnn1

STL058797
Synonyms: 2'- (2- methoxyethyl)- N- (3- methoxyphenyl)- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1cccc(c1)OC

STL058799
Synonyms: 3- {6- bromo- 3- [carboxy(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methyl]- 1H- indol- 1- yl}propanoicacid
Smiles: OC(=O)CCn1cc(c2c1cc(Br)cc2)C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058800
Synonyms: 2'- (2- methoxyethyl)- 1'- oxo- N- phenyl- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ccccc1

STL058802
Synonyms: N- (4- acetylphenyl)- 2'- (2- methoxyethyl)- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ccc(cc1)C(=O)C

STL058803
Synonyms: N- cycloheptyl- 2,3- dihydroxyquinoxaline- 6- carboxamide
Smiles: O=C(c1ccc2c(c1)nc(c(n2)O)O)NC1CCCCCC1

STL058805
Synonyms: 2'- (2- methoxyethyl)- 1'- oxo- N- (pyridin- 2- yl)- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ccccn1

STL058809
Synonyms: methylN- [(2'- benzyl- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinolin]- 4'- yl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)C1c2ccccc2C(=O)N(C21CCCC2)Cc1ccccc1

STL058811
Synonyms: 2'- (2- methoxyethyl)- 1'- oxo- N- (3- phenylpropyl)- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]- 4'- carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NCCCc1ccccc1

STL058812
Synonyms: (2E)- 4- ({3- [carboxy(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methyl]- 1H- indol- 6- yl}amino)- 4- oxobut- 2- enoicacid
Smiles: OC(=O)/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058816
Synonyms: methylN- [(2'- benzyl- 1'- oxo- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinolin]- 4'- yl)carbonyl]- beta- alaninate
Smiles: COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCC2)Cc1ccccc1

STL058823
Synonyms: 1'- bromo- 1'- fluoro- 1a',1b',2',5',5a',6a'- hexahydro- 1'H- dispiro[cyclopropane- 1,6'- [2,5]methanocyclopropa[a]indene- 7',1''- cyclopropane]
Smiles: FC1(Br)C2C1C1(C3C2C2C=CC3C32CC3)CC1

STL058825
Synonyms: 6,6- dimethyl- 5,7- dinitrospiro[1,3- diazatricyclo[3.3.1.1~3,7~]decane- 2,3'- indol]- 2'(1'H)- one
Smiles: O=C1Nc2c(C31N1CC4(CN3CC(C1)(C4(C)C)[N+](=O)[O-])[N+](=O)[O-])cccc2

STL058830
Synonyms: 2- amino- 3,5- dicyano- 6- (dimethylamino)- 4- (4- methoxyphenyl)pyranium
Smiles: COc1ccc(cc1)c1c(C#N)c(N)[o+]c(c1C#N)N(C)C

STL058831
Synonyms: 3- cyclohexyl- 3- hydroxy- N,N,N- trimethyl- 3- [4- (propan- 2- yloxy)phenyl]propan- 1- aminium
Smiles: CC(Oc1ccc(cc1)C(C1CCCCC1)(CC[N+](C)(C)C)O)C

STL058833
Synonyms: (2E)- 2,3- dichloro- N,N- dimethyl- 3- phenyl- N- (prop- 2- en- 1- yl)prop- 2- en- 1- aminium
Smiles: C=CC[N+](C/C(=C(/c1ccccc1)\Cl)/Cl)(C)C

STL058835
Synonyms: 1,1,1- trimethyl- 2- (naphthalen- 1- ylacetyl)hydrazinium
Smiles: O=C(N[N+](C)(C)C)Cc1cccc2c1cccc2

STL058839
Synonyms: (2E,4E)- 3- methyl- 4- (4- nitrobenzylidene)pent- 2- enedioate
Smiles: [O-]C(=O)/C=C(/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)[O-])\C

STL058840
Synonyms: 2- cyano- 3,3- dimethyl- 4- oxopentanoate
Smiles: N#CC(C(C(=O)C)(C)C)C(=O)[O-]

STL058844
Synonyms: 4- amino- 1- [2- (4- nitrophenyl)- 2- oxoethyl]- 1H- 1,2,4- triazol- 4- ium
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Cn1nc[n+](c1)N

STL058845
Synonyms: 1- (2- chlorobenzyl)- 1- [4- hydroxy- 4- (1- methylcyclopentyl)- 4- phenylbut- 2- yn- 1- yl]piperidinium
Smiles: Clc1ccccc1C[N+]1(CCCCC1)CC#CC(C1(C)CCCC1)(c1ccccc1)O

STL058846
Synonyms: 4- amino- 1- [2- (2- nitrophenyl)- 2- oxoethyl]- 1H- 1,2,4- triazol- 4- ium
Smiles: N[n+]1cnn(c1)CC(=O)c1ccccc1[N+](=O)[O-]

STL058847
Synonyms: 1,1'- heptane- 1,7- diylbis(1- methylazepanium)
Smiles: C[N+]1(CCCCCCC[N+]2(C)CCCCCC2)CCCCCC1

STL058848
Synonyms: 4- (4- butoxyphenyl)- 4- cyano- 1,1- dimethylpiperidinium
Smiles: CCCCOc1ccc(cc1)C1(C#N)CC[N+](CC1)(C)C

STL058850
Synonyms: (5- sulfanyl- 1H- tetrazol- 1- yl)acetate
Smiles: [O-]C(=O)Cn1nnnc1S

STL058854
Synonyms: 2- tert- butyl- 5- phenyl- 2H- tetrazol- 2- ium
Smiles: CC([NH+]1N=NC(=N1)c1ccccc1)(C)C

STL058856
Synonyms: (E)- 1- cyclohexyl- N- hydroxy- 1- (pyridin- 2- yl)methanimine
Smiles: O/N=C(/c1ccccn1)\C1CCCCC1

STL058859
Synonyms: 2- {1- [2- (3- carbamoylpyridinium- 1- yl)ethyl]pyridinium- 4- yl}ethanesulfonate
Smiles: NC(=O)c1ccc[n+](c1)CC[n+]1ccc(cc1)CCS(=O)(=O)[O-]

STL058860
Synonyms: 2- (benzyloxy)- N,N,N',N'- tetraethyl- N,N'- dimethylpropane- 1,3- diaminium
Smiles: CC[N+](CC(C[N+](CC)(CC)C)OCc1ccccc1)(CC)C

STL058864
Synonyms: 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 2- [(2- hydroxyethyl)amino]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: OCCNc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3

STL058865
Synonyms: 2- (benzyloxy)- N,N,N,N',N',N'- hexamethylpropane- 1,3- diaminium
Smiles: C[N+](CC(C[N+](C)(C)C)OCc1ccccc1)(C)C

STL058868
Synonyms: 6,7- dichloro- 2,2- dimethyl- 2,3,3a,4,5,7a- hexahydro- 1H- isoindolium
Smiles: ClC1=C(Cl)C2C(CC1)C[N+](C2)(C)C

STL058873
Synonyms:
Smiles: O/N=C(\C(=[N+](\[Co](/[N+](=C(/C(=N\O)/C)\C)/[O-])Br)/[O-])\C)/C

STL058880
Synonyms: 1- methyl- 1- [3- (4- methylphenyl)prop- 2- yn- 1- yl]piperidinium
Smiles: Cc1ccc(cc1)C#CC[N+]1(C)CCCCC1

STL058884
Synonyms: ethyl5,5- dimethyl- 2- {[3- (piperidin- 1- yl)propanoyl]amino}- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCN2CCCCC2)sc2c1CC(C)(C)OC2

STL058889
Synonyms:
Smiles: O/N=C(\C(=[N+](\[Co](/[N+](=C(/C(=N\O)/C)\C)/[O-])Cl)/[O-])\C)/C

STL058896
Synonyms: 1- phenyl- 3- (piperidin- 1- yl)propan- 1- ol
Smiles: OC(c1ccccc1)CCN1CCCCC1

STL058907
Synonyms: 5'- acetyl- 3'- cyano- 6'- methyl- 1',2',3',4'- tetrahydro- 3,4'- bipyridine- 2'- thiolate
Smiles: N#CC1C([S-])NC(=C(C1c1cccnc1)C(=O)C)C

STL058908
Synonyms: 4- (2,2- diphenylcyclopropyl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)C1CC1(c1ccccc1)c1ccccc1

STL058909
Synonyms: N- (1- benzofuran- 2- ylmethyl)- N,N,N'- triethyl- N',N'- dimethylhexane- 1,6- diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCC[N+](CC)(C)C)CC

STL058910
Synonyms: 2- [(3- carboxypropanoyl)oxy]- N,N,N- trimethylethanaminium
Smiles: OC(=O)CCC(=O)OCC[N+](C)(C)C

STL058911
Synonyms: 4- [(2Z)- 3- chlorobut- 2- en- 1- yl]- 4- [3- (naphthalen- 1- yl)prop- 2- yn- 1- yl]morpholin- 4- ium
Smiles: C/C(=C/C[N+]1(CCOCC1)CC#Cc1cccc2c1cccc2)/Cl

STL058912
Synonyms: 2- [(morpholin- 4- ylcarbonothioyl)sulfanyl]propanoate
Smiles: CC(C(=O)[O-])SC(=S)N1CCOCC1

STL058919
Synonyms: 5,7- dimethyl- 6- oxo- 1- (2- oxo- 2- phenylethyl)- 3- aza- 1- azoniatricyclo[3.3.1.1~3,7~]decane
Smiles: O=C1C2(C)CN3CC1(C)C[N+](C2)(C3)CC(=O)c1ccccc1

STL058921
Synonyms: (2Z,4E)- 5- (furan- 2- yl)- 3- methylpenta- 2,4- dienoate
Smiles: [O-]C(=O)/C=C(\C=C\c1ccco1)/C

STL058923
Synonyms: 4- methylpiperazine- 1- carbodithioate
Smiles: CN1CCN(CC1)C(=S)[S-]

STL058924
Synonyms: 1- (3,3- dimethyl- 2- oxobutyl)tetrahydrothiophenium
Smiles: O=C(C(C)(C)C)C[S+]1CCCC1

STL058928
Synonyms: N- (1- benzofuran- 2- ylmethyl)- N,N'- diethyl- N,N',N'- trimethyldecane- 1,10- diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCCCCC[N+](CC)(C)C)C

STL058932
Synonyms: (2Z,4E)- 5- (4- iodophenyl)- 3- methylpenta- 2,4- dienoate
Smiles: C/C(=C/C(=O)[O-])/C=C/c1ccc(cc1)I

STL058935
Synonyms: N- (1- benzofuran- 2- ylmethyl)- N,N'- diethyl- N,N',N'- trimethylheptane- 1,7- diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCC[N+](CC)(C)C)C

STL058939
Synonyms: 4- [(4,6- dimethylpyrimidin- 2- yl)amino]butanoate
Smiles: [O-]C(=O)CCCNc1nc(C)cc(n1)C

STL058945
Synonyms: N,N- dimethyl- N- (2- oxo- 2- phenylethyl)but- 2- yn- 1- aminium
Smiles: CC#CC[N+](CC(=O)c1ccccc1)(C)C

STL058950
Synonyms: 5- [(1Z)- 3- hydroxy- 2- methylprop- 1- en- 1- yl]- 2- methylfuran- 3- carboxylate
Smiles: OC/C(=C\c1oc(c(c1)C(=O)[O-])C)/C

STL058952
Synonyms: 3- (3- propoxyphenyl)propanoate
Smiles: CCCOc1cccc(c1)CCC(=O)[O-]

STL058953
Synonyms: 3- [(dimethylcarbamoyl)oxy]- N,N,N- trimethylanilinium
Smiles: O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C

STL058954
Synonyms: diphenyl(propan- 2- yloxy)acetate
Smiles: CC(OC(c1ccccc1)(c1ccccc1)C(=O)[O-])C

STL058957
Synonyms: 5,5,6,6- tetramethyl- 1,4- bis(prop- 2- en- 1- yloxy)piperazine- 2,3- dione
Smiles: C=CCON1C(=O)C(=O)N(C(C1(C)C)(C)C)OCC=C

STL058963
Synonyms: 2- {[4- methyl- 6- (morpholin- 4- yl)pyrimidin- 2- yl]sulfanyl}- N'- (propan- 2- ylidene)acetohydrazide
Smiles: O=C(CSc1nc(C)cc(n1)N1CCOCC1)NN=C(C)C

STL058969
Synonyms: 1- (4- cyclopropylphenyl)propan- 1- one
Smiles: CCC(=O)c1ccc(cc1)C1CC1

STL058973
Synonyms: 4- methyl- 8- oxa- 2,3- diazaspiro[4.5]dec- 3- en- 1- one
Smiles: O=C1NN=C(C21CCOCC2)C

STL058980
Synonyms: 7,8,8- trimethyl- 3- (trifluoromethyl)- 4,5,6,7- tetrahydro- 2H- 4,7- methanoindazole
Smiles: FC(c1[nH]nc2c1C1CCC2(C1(C)C)C)(F)F

STL058983
Synonyms: 4- {(1E,3E)- 3- [3- carboxylato- 5- oxo- 1- (4- sulfonatophenyl)- 1,5- dihydro- 4H- pyrazol- 4- ylidene]prop- 1- en- 1- yl}- 5- hydroxy- 1- (4- sulfonatophenyl)- 1H- pyrazole- 3- carboxylate
Smiles: [O-]C(=O)C1=NN(C(=O)/C/1=C/C=C/c1c(nn(c1O)c1ccc(cc1)S(=O)(=O)[O-])C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]

STL058987
Synonyms: 2- butoxy- N,N- dimethyl- 2- oxo- N- {2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethyl}ethanaminium
Smiles: CCCCOC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL058994
Synonyms: N- (cyanomethyl)- N,N- dimethyl- 2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethanaminium
Smiles: N#CC[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL059004
Synonyms: 8- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 7- ethyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C

STL059007
Synonyms: (2E)- 2,3- dichloro- N,N- dimethyl- 3- phenyl- N- (3- phenylprop- 1- yn- 1- yl)prop- 2- en- 1- aminium
Smiles: Cl/C(=C(\C[N+](C#CCc1ccccc1)(C)C)/Cl)/c1ccccc1

STL059014
Synonyms: 4,4'- (benzene- 1,4- diyldiprop- 1- yne- 1,3- diyl)bis[4- (3- phenylprop- 2- yn- 1- yl)morpholin- 4- ium]
Smiles: O1CC[N+](CC1)(CC#Cc1ccc(cc1)C#CC[N+]1(CCOCC1)CC#Cc1ccccc1)CC#Cc1ccccc1

STL059018
Synonyms: 2,3- dihydro- 1- benzofuran- 2- yl- N,N,N- trimethylmethanaminium
Smiles: C[N+](CC1Cc2c(O1)cccc2)(C)C

STL059023
Synonyms: benzyl{[6- amino- 3,5- dicyano- 4- (3- fluorophenyl)pyridin- 2- yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OCc2ccccc2)nc(c(c1c1cccc(c1)F)C#N)N

STL059025
Synonyms: 6- methyl- 2- (2- oxo- 2- phenylethyl)- 1- propyl- 3,4- dihydropyrrolo[1,2- a]pyrazin- 2- ium
Smiles: CCCC1=[N+](CCn2c1ccc2C)CC(=O)c1ccccc1

STL059026
Synonyms: carboxy- N,N- dimethyl- N- [(trimethylsilyl)methyl]methanaminium
Smiles: OC(=O)C[N+](C[Si](C)(C)C)(C)C

STL059034
Synonyms: 3- [4- (morpholin- 4- yl)but- 2- yn- 1- yl]- 5- pentyldihydrofuran- 2(3H)- one
Smiles: CCCCCC1OC(=O)C(C1)CC#CCN1CCOCC1

STL059035
Synonyms: 1- (2,3- dichloropropyl)pyridinium
Smiles: ClCC(C[n+]1ccccc1)Cl

STL059036
Synonyms: 4- (4- phenyl- 1,3- thiazol- 2- yl)- 1- oxaspiro[4.5]decan- 2- one
Smiles: O=C1CC(C2(O1)CCCCC2)c1scc(n1)c1ccccc1

STL059040
Synonyms: dimethyl2,6- dioxobicyclo[3.3.1]nonane- 1,5- dicarboxylate
Smiles: COC(=O)C12CCC(=O)C(C1)(CCC2=O)C(=O)OC

STL059046
Synonyms: 1- [2- (furan- 2- yl)- 2- oxoethyl]- 3- propyl- 1,3- dihydro- 2H- benzimidazol- 2- iminium
Smiles: CCCn1c(=[NH2+])n(c2c1cccc2)CC(=O)c1ccco1

STL059048
Synonyms: 4- [3- (benzyloxy)- 2- (pentanoyloxy)propyl]- 4- methylmorpholin- 4- ium
Smiles: CCCCC(=O)OC(C[N+]1(C)CCOCC1)COCc1ccccc1

STL059050
Synonyms: 2,6- dioxo- 5- [(E)- (6- oxocyclohexa- 2,4- dien- 1- ylidene)methyl]- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: O=C1NC(=O)N=C(C1/C=C/1\C=CC=CC1=O)[O-]

STL059059
Synonyms: N,N- dimethyl- N- {2- oxo- 2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethyl}prop- 2- en- 1- aminium
Smiles: C=CC[N+](CC(=O)OC1CC2C(C1(C)CC2)(C)C)(C)C

STL059060
Synonyms: 4- methyl- N- {1- [2- (piperidin- 1- yl)ethyl]- 1H- benzimidazol- 2- yl}benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1nc2c(n1CCN1CCCCC1)cccc2

STL059063
Synonyms: 2- ethoxy- N,N- dimethyl- 2- oxo- N- {2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethyl}ethanaminium
Smiles: CCOC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL059065
Synonyms: 2- [2- (diethylamino)ethoxy]ethyl2- ethyl- 2- phenylbutanoate
Smiles: CCN(CCOCCOC(=O)C(c1ccccc1)(CC)CC)CC

STL059067
Synonyms: 2- methoxy- N,N- dimethyl- 2- oxo- N- {2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethyl}ethanaminium
Smiles: COC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL059069
Synonyms: 2- {[(E)- (2- hydroxyphenyl)methylidene]amino}ethylsulfate
Smiles: Oc1ccccc1/C=N/CCOS(=O)(=O)[O-]

STL059070
Synonyms: 1,1'- (2- chloropropane- 1,3- diyl)dipyridinium
Smiles: ClC(C[n+]1ccccc1)C[n+]1ccccc1

STL059071
Synonyms: 3- chloro- N- [3- (4- chlorophenyl)prop- 2- yn- 1- yl]- N,N- dimethylbut- 3- en- 1- aminium
Smiles: ClC(=C)CC[N+](CC#Cc1ccc(cc1)Cl)(C)C

STL059074
Synonyms: 2- [2- (4- ethoxyphenyl)- 2- oxoethyl]- 1,6- dimethyl- 3,4- dihydropyrrolo[1,2- a]pyrazin- 2- ium
Smiles: CCOc1ccc(cc1)C(=O)C[N+]1=C(C)c2n(CC1)c(cc2)C

STL059078
Synonyms: 4- {[diethyl(methyl)silyl]methoxy}- N,N,N- trimethyl- 4- oxobutan- 1- aminium
Smiles: CC[Si](COC(=O)CCC[N+](C)(C)C)(CC)C

STL059086
Synonyms: 2- [2- (4- ethoxyphenyl)- 2- oxoethyl]- 6- methyl- 1- propyl- 3,4- dihydropyrrolo[1,2- a]pyrazin- 2- ium
Smiles: CCCC1=[N+](CCn2c1ccc2C)CC(=O)c1ccc(cc1)OCC

STL059087
Synonyms: N- (1- benzofuran- 2- ylmethyl)- N,N,N',N',N'- pentaethylethane- 1,2- diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CC[N+](CC)(CC)CC)CC

STL059090
Synonyms: 3,12- bis[2- hydroxy- 3- (morpholin- 4- yl)propyl]- 3,12- diaza- 6,9- diazoniadispiro[5.2.5.2]hexadecane
Smiles: OC(CN1CCOCC1)CN1CC[N+]2(CC1)CC[N+]1(CC2)CCN(CC1)CC(CN1CCOCC1)O

STL059094
Synonyms: 3- (4- chlorophenyl)- 4,4- dimethyl- 2- oxaspiro[5.5]undecane- 1,5- dione
Smiles: Clc1ccc(cc1)C1OC(=O)C2(C(=O)C1(C)C)CCCCC2

STL059095
Synonyms: 2- [2- (4- ethoxyphenyl)- 2- oxoethyl]- 1- propyl- 3,4- dihydropyrrolo[1,2- a]pyrazin- 2- ium
Smiles: CCCC1=[N+](CCn2c1ccc2)CC(=O)c1ccc(cc1)OCC

STL059100
Synonyms: N,N- dimethyl- 2- oxo- 2- propoxy- N- {2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethyl}ethanaminium
Smiles: CCCOC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL059102
Synonyms: 2- (4- methoxyphenyl)- 1,3- dioxaspiro[5.5]undecane
Smiles: COc1ccc(cc1)C1OCCC2(O1)CCCCC2

STL059104
Synonyms: 4- {[3- (dimethylamino)propyl]amino}- 1- oxaspiro[4.5]dec- 3- en- 2- one
Smiles: CN(CCCNC1=CC(=O)OC21CCCCC2)C

STL059106
Synonyms: 7- methyl- 4,5- dihydro- 6H- imidazo[4,5- e][2,1,3]benzoxadiazol- 6- ol
Smiles: On1c(C)nc2c1CCc1c2non1

STL059107
Synonyms: N- (1- benzofuran- 2- ylmethyl)- N,N'- diethyl- N,N',N'- trimethylethane- 1,2- diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CC[N+](CC)(C)C)C

STL059116
Synonyms: N- benzyl- N,N- dimethyl- 2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethanaminium
Smiles: CC12CCC(C2(C)C)CC1OCC[N+](Cc1ccccc1)(C)C

STL059123
Synonyms: N,N- dibutyl- 4- hydroxy- N- (3- phenylprop- 2- yn- 1- yl)but- 2- yn- 1- aminium
Smiles: CCCC[N+](CC#CCO)(CC#Cc1ccccc1)CCCC

STL059129
Synonyms: 2,2'- [benzene- 1,4- diylbis(oxy)]bis(1,7,7- trimethylbicyclo[2.2.1]heptane)
Smiles: CC12CCC(C2(C)C)CC1Oc1ccc(cc1)OC1CC2C(C1(C)CC2)(C)C

STL059131
Synonyms: (2Z,4E)- 2,3- dichloro- 4- [2- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)hydrazinylidene]but- 2- enoicacid
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)N/N=C/C(=C(\C(=O)O)/Cl)/Cl

STL059140
Synonyms: 2,2'- [(1,9- dioxononane- 1,9- diyl)disulfanediyl]bis(N,N,N- trimethylethanaminium)
Smiles: O=C(SCC[N+](C)(C)C)CCCCCCCC(=O)SCC[N+](C)(C)C

STL059145
Synonyms: ethyl3- {[N- (1,3- dioxolan- 2- ylmethyl)- N- methylglycyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN(CC1OCCO1)C)cc(cc2)OC

STL059147
Synonyms: 4- [(diphenylacetyl)amino]butanoate
Smiles: O=C(C(c1ccccc1)c1ccccc1)NCCCC(=O)[O-]

STL059154
Synonyms: N,N,N- trimethyl- 3- oxo- 3- (4- propoxyphenyl)propan- 1- aminium
Smiles: CCCOc1ccc(cc1)C(=O)CC[N+](C)(C)C

STL059157
Synonyms: 3- (4- bromo- 5- oxido- 1,2,5- oxadiazol- 3- yl)tricyclo[3.3.1.1~3,7~]dec- 1- ylnitrate
Smiles: [O-][N+](=O)OC12CC3CC(C1)CC(C2)(C3)c1no[n+](c1Br)[O-]

STL059163
Synonyms: 2- [2- (4- ethoxyphenyl)- 2- oxoethyl]- 1- ethyl- 6- methyl- 3,4- dihydropyrrolo[1,2- a]pyrazin- 2- ium
Smiles: CCOc1ccc(cc1)C(=O)C[N+]1=C(CC)c2n(CC1)c(cc2)C

STL059165
Synonyms: 1- ethyl- 2- [2- (4- methoxyphenyl)- 2- oxoethyl]- 6- methyl- 3,4- dihydropyrrolo[1,2- a]pyrazin- 2- ium
Smiles: CCC1=[N+](CCn2c1ccc2C)CC(=O)c1ccc(cc1)OC

STL059166
Synonyms: 1- {2- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)oxy]ethyl}- 3- (ethoxycarbonyl)pyridinium
Smiles: CCOC(=O)c1ccc[n+](c1)CCON1C(=O)c2c(C1=O)cccc2

STL059169
Synonyms: 4- [(pyridin- 3- ylcarbonyl)amino]butanoate
Smiles: [O-]C(=O)CCCNC(=O)c1cccnc1

STL059172
Synonyms: N,N- dimethyl- 1- oxo- 1- phenyl- N- (prop- 2- en- 1- yl)pent- 4- en- 2- aminium
Smiles: C=CCC([N+](CC=C)(C)C)C(=O)c1ccccc1

STL059176
Synonyms: 2- [2- (4- methoxyphenyl)- 2- oxoethyl]- 1- propyl- 3,4- dihydropyrrolo[1,2- a]pyrazin- 2- ium
Smiles: CCCC1=[N+](CCn2c1ccc2)CC(=O)c1ccc(cc1)OC

STL059177
Synonyms: 4'H- spiro[cyclohexane- 1,3'- isoquinoline]
Smiles: C1CCC2(CC1)N=Cc1c(C2)cccc1

STL059183
Synonyms: N,N- dimethylquinolin- 6- amine
Smiles: CN(c1ccc2c(c1)cccn2)C

STL059185
Synonyms: 1- (2- methoxy- 2- oxoethyl)- 1- (3- methylbut- 2- en- 1- yl)piperidinium
Smiles: COC(=O)C[N+]1(CCCCC1)CC=C(C)C

STL059189
Synonyms: 1- ethyl- 2- [(1E,3Z)- 3- (1- ethylquinolin- 2(1H)- ylidene)prop- 1- en- 1- yl]quinolinium
Smiles: CC[n+]1c(/C=C/C=c\2/ccc3c(n2CC)cccc3)ccc2c1cccc2

STL059190
Synonyms: 1,2,3,4,5,6,7,8,9,10- decahydro- 5,9- methanobenzo[8]annulen- 11- amine
Smiles: NC1C2CCCC1C1=C(C2)CCCC1

STL059191
Synonyms: N,N- diethyl- N- (prop- 2- yn- 1- yl)pent- 4- en- 2- yn- 1- aminium
Smiles: C#CC[N+](CC#CC=C)(CC)CC

STL059194
Synonyms: 3- ethyl- 2- [(1E,3E)- 3- (3- ethyl- 1,3- benzothiazol- 2(3H)- ylidene)prop- 1- en- 1- yl]- 1,3- benzothiazol- 3- ium
Smiles: CC[n+]1c(/C=C/C=c\2/sc3c(n2CC)cccc3)sc2c1cccc2

STL059195
Synonyms: 3- carbamoyl- 1- [2- (2- methyl- 5- oxotetrahydrofuran- 2- yl)- 2- oxoethyl]pyridinium
Smiles: O=C1CCC(O1)(C)C(=O)C[n+]1cccc(c1)C(=O)N

STL059198
Synonyms: 2- [(E)- 2- (1H- indol- 3- yl)ethenyl]- 1- methylpyridinium
Smiles: C[n+]1ccccc1/C=C/c1c[nH]c2c1cccc2

STL059203
Synonyms: (2E)- 3- (2- methoxyphenyl)- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)prop- 2- en- 1- one
Smiles: COc1ccccc1/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

STL059206
Synonyms: 3- benzyl- 3,4- dihydro- 2H- 1,4- ethanoquinolin- 3- ol
Smiles: OC1(Cc2ccccc2)CN2CCC1c1c2cccc1

STL059210
Synonyms: 2- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- N,N,N- trimethyl- 2- oxoethanaminium
Smiles: O=C(c1ccc2c(c1)OCCCO2)C[N+](C)(C)C

STL059211
Synonyms: (2E,4E)- 3- methyl- 4- (pyridin- 3- ylmethylidene)pent- 2- enedioate
Smiles: [O-]C(=O)/C=C(/C(=C\c1cccnc1)/C(=O)[O-])\C

STL059213
Synonyms: N- {2- [hydroxy(phenyl)methyl]- 4,5- dimethoxyphenyl}acetamide
Smiles: COc1cc(c(cc1OC)NC(=O)C)C(c1ccccc1)O

STL059214
Synonyms: 3- (1- hydroxycyclohexyl)- 5- phenyl- 1,2- oxazolidin- 3- ol
Smiles: OC1(NOC(C1)c1ccccc1)C1(O)CCCCC1

STL059216
Synonyms: 4- [4- (3- methoxyphenoxy)- 1H- pyrazol- 3- yl]- 2- methylbenzene- 1,3- diol
Smiles: COc1cccc(c1)Oc1c[nH]nc1c1ccc(c(c1O)C)O

STL059217
Synonyms: N,N,N,2,2- pentamethyl- 3- {[(3- methyl- 1- benzofuran- 2- yl)carbonyl]oxy}propan- 1- aminium
Smiles: O=C(c1oc2c(c1C)cccc2)OCC(C[N+](C)(C)C)(C)C

STL059219
Synonyms: 2- {(1E,3E)- 4- [4- (dimethylamino)phenyl]buta- 1,3- dien- 1- yl}- 3- methyl- 1,3- benzothiazol- 3- ium
Smiles: CN(c1ccc(cc1)/C=C/C=C/c1sc2c([n+]1C)cccc2)C

STL059222
Synonyms: 2,2'- (9- ethyl- 9H- carbazole- 3,6- diyl)diaceticacid
Smiles: CCn1c2ccc(cc2c2c1ccc(c2)CC(=O)O)CC(=O)O

STL059224
Synonyms: N- [2- (4- butyl- 2- methyl- 5- oxotetrahydrofuran- 2- yl)- 2- oxoethyl]pyridin- 2- aminium(non- preferredname)
Smiles: CCCCC1CC(OC1=O)(C)C(=O)C[NH2+]c1ccccn1

STL059226
Synonyms: N- (1- phenylpropan- 2- yl)- 1- azabicyclo[2.2.2]octan- 3- amine
Smiles: CC(Cc1ccccc1)NC1CN2CCC1CC2

STL059227
Synonyms: 3a- (2- methoxypropan- 2- yl)- 2- (propan- 2- yl)octahydro[1,2]oxazolo[2,3- a]benzimidazole- 2,4(2H)- diol
Smiles: COC(C12CC(ON1C1C(N2O)CCCC1)(O)C(C)C)(C)C

STL059228
Synonyms: [benzene- 1,2,4,5- tetrayltetrakis(carbonyliminobenzene- 4,1- diylsulfonyl)]tetrakis(1,3- thiazol- 2- ylazanide)
Smiles: O=C(c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)[N-]c2nccs2)c(cc1C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1

STL059233
Synonyms: N- (dimethylcarbamothioyl)- 3,5,7- trimethyltricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: S=C(N(C)C)NC(=O)C12CC3(C)CC(C2)(CC(C1)(C3)C)C

STL059235
Synonyms: (4,5- dimethylfuran- 2- yl)- N,N,N- trimethylmethanaminium
Smiles: Cc1oc(cc1C)C[N+](C)(C)C

STL059239
Synonyms: 1- methyl- 3- [(Z)- (5- oxo- 2- phenyl- 1,3- oxazol- 4(5H)- ylidene)methyl]pyridinium
Smiles: C[n+]1cccc(c1)/C=C/1\N=C(OC1=O)c1ccccc1

STL059240
Synonyms: N,N- dimethyl- N- (prop- 2- yn- 1- yl)decan- 1- aminium
Smiles: CCCCCCCCCC[N+](CC#C)(C)C

STL059242
Synonyms: 2,2'- {sulfanediylbis[(1- oxopropane- 3,1- diyl)oxy]}bis(N,N,N- trimethylethanaminium)
Smiles: O=C(OCC[N+](C)(C)C)CCSCCC(=O)OCC[N+](C)(C)C

STL059246
Synonyms: N- (4H- 1,3- benzodioxin- 2- ylmethyl)- 1- phenylcyclopentanecarboxamide
Smiles: O=C(C1(CCCC1)c1ccccc1)NCC1OCc2c(O1)cccc2

STL059247
Synonyms: 1- (4- ethoxy- 3- nitrobenzyl)- 2- methyl- 4- nitro- 1H- imidazole- 5- thiolate
Smiles: CCOc1ccc(cc1[N+](=O)[O-])Cn1c(C)nc(c1[S-])[N+](=O)[O-]

STL059248
Synonyms: N,N- diethyl- N- methyl- 3- {[(1- phenylcyclopentyl)carbonyl]oxy}propan- 1- aminium
Smiles: CC[N+](CCCOC(=O)C1(CCCC1)c1ccccc1)(CC)C

STL059250
Synonyms: 2- phenyl- 3- (phenylcarbonyl)indolizine- 7- carboxylate
Smiles: O=C(c1c(cc2n1ccc(c2)C(=O)[O-])c1ccccc1)c1ccccc1

STL059257
Synonyms: 3- acetyl- 2- (4- chlorophenyl)indolizine- 6- carboxylate
Smiles: Clc1ccc(cc1)c1cc2n(c1C(=O)C)cc(cc2)C(=O)[O-]

STL059260
Synonyms: N- (1- benzofuran- 2- ylmethyl)- N,N',N',N'- tetraethyl- N- methylpentane- 1,5- diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCC[N+](CC)(CC)CC)C

STL059264
Synonyms: 4- [2- (ethylsulfanyl)- 1H- benzimidazol- 1- yl]- 4- oxobutanoate
Smiles: CCSc1nc2c(n1C(=O)CCC(=O)[O-])cccc2

STL059266
Synonyms: N,N,N- triethyl- 3- {[(1- phenylcyclopentyl)carbonyl]oxy}propan- 1- aminium
Smiles: CC[N+](CCCOC(=O)C1(CCCC1)c1ccccc1)(CC)CC

STL059267
Synonyms: 2- (16,18- dioxo- 17- azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca- 2,4,6,9,11,13- hexaen- 17- yl)- 4- methylpentanoicacid(non- preferredname)
Smiles: CC(CC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)O)C

STL059269
Synonyms: 4,4'- [ethane- 1,2- diylbis(oxy)]bis[3- (diphenylphosphoryl)benzenesulfonate]
Smiles: [O-]S(=O)(=O)c1ccc(c(c1)P(=O)(c1ccccc1)c1ccccc1)OCCOc1ccc(cc1P(=O)(c1ccccc1)c1ccccc1)S(=O)(=O)[O-]

STL059271
Synonyms: 1,4- bis(2- oxo- 2- {[3- (trifluoromethyl)phenyl]amino}ethyl)- 1,4- diazoniabicyclo[2.2.2]octane
Smiles: O=C(C[N+]12CC[N+](CC1)(CC2)CC(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F

STL059275
Synonyms: 4- carbamoyl- 1- {2- [(2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)amino]- 2- oxoethyl}pyridinium
Smiles: O=C(Nc1c[nH]c(=O)[nH]c1=O)C[n+]1ccc(cc1)C(=O)N

STL059276
Synonyms: 4- carbamoyl- 1- {2- oxo- 2- [(phenylcarbamoyl)amino]ethyl}pyridinium
Smiles: O=C(C[n+]1ccc(cc1)C(=O)N)NC(=O)Nc1ccccc1

STL059278
Synonyms: 2,3a,4,5,7,8a,9,10- octahydro- 5,10- methanocycloocta[1,2- c:5,6- c']dipyrazole- 3,8- dione
Smiles: O=C1NN=C2C1CC1CC2CC2C1=NNC2=O

STL059285
Synonyms: [hydroxy(phenyl)methyl](5- oxotetrahydrofuran- 3- yl)phosphinate
Smiles: O=C1OCC(C1)P(=O)(C(c1ccccc1)O)[O-]

STL059288
Synonyms: {[4- oxo- 3- (1,3- thiazol- 4- yl)- 4H- chromen- 7- yl]oxy}acetate
Smiles: [O-]C(=O)COc1ccc2c(c1)occ(c2=O)c1cscn1

STL059292
Synonyms: N- (6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl)- L- tryptophan
Smiles: OC(=O)[C@@H](Nc1ncnc2c1c1CCCc1s2)Cc1c[nH]c2c1cccc2

STL059296
Synonyms: 1- (2- amino- 2- oxoethyl)- 4- carbamoylpyridinium
Smiles: NC(=O)C[n+]1ccc(cc1)C(=O)N

STL059299
Synonyms: 4- butoxy- N- [4- oxo- 4- (piperidin- 1- yl)butyl]benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)NCCCC(=O)N1CCCCC1

STL059300
Synonyms: 5- hydroxy- 2- [(E)- pyridin- 2- yldiazenyl]phenolate
Smiles: Oc1ccc(c(c1)[O-])/N=N/c1ccccn1

STL059309
Synonyms: 2- (4- nitrophenyl)- 4- (pyridin- 3- yl)- 6H- 1,3- oxazin- 6- one
Smiles: O=c1oc(nc(c1)c1cccnc1)c1ccc(cc1)[N+](=O)[O-]

STL059314
Synonyms: 6- (3,4- dihydroxyphenyl)- 4,8- diethoxy- 1,3- dimethylcyclohepta[c]furanium
Smiles: CCOc1cc(cc(c2c1c(C)[o+]c2C)OCC)c1ccc(c(c1)O)O

STL059324
Synonyms: 9- (3,5- di- tert- butyl- 4- hydroxybenzyl)- 1,6,12- trioxa- 9- aza- 5- germaspiro[4.7]dodecan- 2- one
Smiles: CC(c1cc(CN2CCO[Ge]3(OCC2)CCC(=O)O3)cc(c1O)C(C)(C)C)(C)C

STL059325
Synonyms: (2E,4E)- 5- (4- fluorophenyl)- 3- methylpenta- 2,4- dienoate
Smiles: C/C(=C\C(=O)[O-])/C=C/c1ccc(cc1)F

STL059328
Synonyms: 3,12- bis[(3- phenylpyrrolidin- 1- yl)acetyl]- 3,12- diaza- 6,9- diazoniadispiro[5.2.5.2]hexadecane
Smiles: O=C(N1CC[N+]2(CC1)CC[N+]1(CC2)CCN(CC1)C(=O)CN1CCC(C1)c1ccccc1)CN1CCC(C1)c1ccccc1

STL059332
Synonyms: 3,6- dinitro- 9- oxo- 9H- fluorene- 2,7- diylbistricyclo[3.3.1.1~3,7~]decane- 1- carboxylate
Smiles: O=C1c2cc(OC(=O)C34CC5CC(C4)CC(C3)C5)c(cc2c2c1cc(OC(=O)C13CC4CC(C3)CC(C1)C4)c(c2)[N+](=O)[O-])[N+](=O)[O-]

STL059336
Synonyms: N,N- dimethyl- 2- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]ethanamine
Smiles: CN(CCOC1CC2C(C1(C)CC2)(C)C)C

STL059340
Synonyms: 3- hydroxy- N,N,3- trimethyl- 4- phenylbutan- 1- aminium
Smiles: CC(Cc1ccccc1)(CC[NH+](C)C)O

STL059345
Synonyms: O- hexylcarbonodithioate
Smiles: CCCCCCOC(=S)[S-]

STL059347
Synonyms: N,N'- (benzene- 1,4- diyldiprop- 1- yne- 1,3- diyl)bis(N- butyl- N- methylbutan- 1- aminium)
Smiles: CCCC[N+](CC#Cc1ccc(cc1)C#CC[N+](CCCC)(CCCC)C)(CCCC)C

STL059354
Synonyms: 5- hydroxy- 2- [(naphthalen- 1- ylcarbonyl)amino]benzoicacid
Smiles: Oc1ccc(c(c1)C(=O)O)NC(=O)c1cccc2c1cccc2

STL059355
Synonyms: 2,2'- [(9- oxo- 9H- fluorene- 2,7- diyl)bis(sulfonylimino)]bis[4- (methylsulfanyl)butanoate]
Smiles: CSCCC(C(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C(=O)c1c2ccc(c1)S(=O)(=O)NC(C(=O)[O-])CCSC

STL059366
Synonyms: 3a- (pentylsulfonyl)- 2,3,3a,4,7,7a- hexahydro- 4,7- methano- 1- benzothiophene- 3- ol1,1- dioxide
Smiles: CCCCCS(=O)(=O)C12C3C=CC(C2S(=O)(=O)CC1O)C3

STL059367
Synonyms: 2- (4- aminophenyl)- 6- methyl- 1,3- benzothiazole- 7- sulfonate
Smiles: Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-]

STL059369
Synonyms: 8- (cyclohexylamino)- 7- (2,3- dihydroxypropyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCC(Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C)O

STL059371
Synonyms: 3- methyl- 4- nitro- 1- (4- nitrophenyl)- 1H- pyrazole- 5- thiolate
Smiles: [O-][N+](=O)c1ccc(cc1)n1nc(c(c1[S-])[N+](=O)[O-])C

STL059372
Synonyms: methyl3- {[(3- chlorotricyclo[3.3.1.1~3,7~]dec- 1- yl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C13CC4CC(C1)CC(C3)(C4)Cl)cccc2

STL059374
Synonyms: (2E)- 3- {4- methoxy- 3- [(4- nitrophenoxy)methyl]phenyl}- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)prop- 2- en- 1- one
Smiles: COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

STL059375
Synonyms: N- (but- 2- yn- 1- yl)- N,N- dimethyldodecan- 1- aminium
Smiles: CCCCCCCCCCCC[N+](CC#CC)(C)C

STL059380
Synonyms: 2- (quinolin- 2- ylsulfanyl)propanoate
Smiles: [O-]C(=O)C(Sc1ccc2c(n1)cccc2)C

STL059385
Synonyms: 3- cyano- 1- (2- ethoxy- 2- oxoethyl)- 3- hydroxy- 1- azoniabicyclo[2.2.2]octane
Smiles: CCOC(=O)C[N+]12CCC(CC1)C(C2)(O)C#N

STL059388
Synonyms: 4- {[3- (acetylamino)- 1- phenyl- 1H- 1,2,4- triazol- 5- yl]amino}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)Nc1nc(nn1c1ccccc1)NC(=O)C

STL059391
Synonyms: N- (1- benzofuran- 2- ylmethyl)- N,N,N'- triethyl- N',N'- dimethyloctane- 1,8- diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCCC[N+](CC)(C)C)CC

STL059397
Synonyms: (6- bromo- 2- methoxynaphthalen- 1- yl)acetate
Smiles: COc1ccc2c(c1CC(=O)[O-])ccc(c2)Br

STL059399
Synonyms: N- [2- (1,7- dimethyl- 2- oxobicyclo[2.2.1]hept- 7- yl)ethyl]- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NCCC1(C)C2CCC1(C)C(=O)C2

STL059401
Synonyms: 3',5',6'- trimethyl- 2',3'- dihydrospiro[cyclohexane- 1,1'- inden]- 4'- amine
Smiles: CC1CC2(c3c1c(N)c(C)c(c3)C)CCCCC2

STL059402
Synonyms: 5,9,9- trimethyl- 5,6,7,8- tetrahydro- 5,8- methano- 1,2,4- benzotriazine- 3- thiol
Smiles: Sc1nnc2c(n1)C1(C)CCC2C1(C)C

STL059408
Synonyms: 3a,6a- dimethyl- N'- (4- nitrophenyl)hexahydro- 1H- 1,4- methanocyclopenta[c]furan- 1- carbohydrazide
Smiles: O=C(C12OCC3(C2(C)CCC3C1)C)NNc1ccc(cc1)[N+](=O)[O-]

STL059409
Synonyms: 1- {2'- [4- (difluoromethoxy)phenyl]- 7'- methoxy- 1',10b'- dihydro- 1H- spiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 1- yl}ethanone
Smiles: COc1cccc2c1OC1(CCN(CC1)C(=O)C)N1C2CC(=N1)c1ccc(cc1)OC(F)F

STL059413
Synonyms: 2- (6- chloro- 4- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)ethanol
Smiles: OCCN1CC(C)c2c(C1)ccc(c2)Cl

STL059417
Synonyms: 1- [2'- (2,4- dimethoxyphenyl)- 7'- methoxy- 1',10b'- dihydro- 1H- spiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 1- yl]ethanone
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)C(=O)C)OC

STL059420
Synonyms: 5- bromo- 2,3,4- trimethyl- N- (1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)benzamide
Smiles: O=C(c1cc(Br)c(c(c1C)C)C)NC1CC2C(C1(C)CC2)(C)C

STL059421
Synonyms: 4,7,7- trimethyl- 3- oxo- N- {4- [(E)- phenyldiazenyl]phenyl}bicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1ccc(cc1)/N=N/c1ccccc1

STL059423
Synonyms: 2- [(1,3- benzodioxol- 5- ylcarbonyl)oxy]- N,N,N- trimethylpropan- 1- aminium
Smiles: CC(C[N+](C)(C)C)OC(=O)c1ccc2c(c1)OCO2

STL146308
Synonyms: 6- methyl- 20- oxopregna- 4,6- diene- 3,17- diyldiacetate
Smiles: CC(=O)OC1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C)C

STL146311
Synonyms: 1- [1,6- dimethyl- 4- (4- methylpent- 3- en- 1- yl)cyclohex- 3- en- 1- yl]ethanone
Smiles: CC(=CCCC1=CCC(C(C1)C)(C)C(=O)C)C

STL146318
Synonyms: 17- ethynyl- 3- methoxyestra- 1,3,5(10)- trien- 17- ol
Smiles: C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC

STL146320
Synonyms: docosanoicacid
Smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O

STL146322
Synonyms: spirostan- 3- ylacetate
Smiles: CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CCC3C(C1CC2)(C)CCC(C3)OC(=O)C)C

STL308731
Synonyms: 4- [(3,20- dioxopregnan- 21- yl)oxy]- 4- oxobutanoate
Smiles: [O-]C(=O)CCC(=O)OCC(=O)C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(=O)C2

STL146325
Synonyms: 1,2,3,5- tetra- O- acetylpentofuranose
Smiles: CC(=O)OCC1OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C

STL146327
Synonyms: 4- (2- {2- ethyl- 5'- [6- hydroxy- 6- (hydroxymethyl)- 3,5- dimethyltetrahydro- 2H- pyran- 2- yl]- 3'- methyloctahydro- 2,2'- bifuran- 5- yl}- 9- hydroxy- 2,8- dimethyl- 1,6- dioxaspiro[4.5]dec- 7- yl)- 3- methoxy- 2- methylpentanoa
Smiles: COC(C(C1OC2(CCC(O2)(C)C2CCC(O2)(CC)C2OC(CC2C)C2OC(O)(CO)C(CC2C)C)CC(C1C)O)C)C(C(=O)[O-])C

STL146332
Synonyms: 9- [5- (hydroxymethyl)tetrahydrofuran- 2- yl]- 9H- purin- 6- ol
Smiles: OCC1CCC(O1)n1cnc2c1ncnc2O

STL146335
Synonyms: 2- {[(4- {[(2- amino- 5- formyl- 4- oxo- 3,4,5,6,7,8- hexahydropteridin- 6- yl)methyl]amino}phenyl)carbonyl]amino}hexanedioicacid
Smiles: O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)O)CCCC(=O)O)CNc2c1c(=O)[nH]c(n2)N

STL137770
Synonyms: 3- hydroxy- 5- (hydroxymethyl)- 2- methylpyridine- 4- carbaldehyde
Smiles: O=Cc1c(CO)cnc(c1O)C

STL146338
Synonyms: 4- [1- hydroxy- 2- (methylamino)ethyl]benzene- 1,2- diol
Smiles: CNCC(c1ccc(c(c1)O)O)O

STL146339
Synonyms: 4,7- dimethoxy- 1- methyl- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc(c2c1n(C)c(c2)C(=O)O)OC

STL137771
Synonyms: methylserinate
Smiles: COC(=O)C(CO)N

STL146346
Synonyms: benzene- 1,3,5- triol
Smiles: Oc1cc(O)cc(c1)O

STL146349
Synonyms: 3,5- dihydroxybenzoicacid
Smiles: Oc1cc(O)cc(c1)C(=O)O

STL194259
Synonyms: pentanal
Smiles: CCCCC=O

STL194260
Synonyms: propane- 1,3- diamine
Smiles: NCCCN

STL146357
Synonyms: methylhydroxy(phenyl)acetate
Smiles: COC(=O)C(c1ccccc1)O

STL146358
Synonyms: 3- methylbutanoicacid
Smiles: CC(CC(=O)O)C

STL194261
Synonyms: abieta- 8,11,13- trien- 18- amine
Smiles: NCC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C

STL146360
Synonyms: 3- (6- chloropyridazin- 3- yl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Clc1ccc(nn1)N1CC2CC(C1)c1n(C2)c(=O)ccc1

STL146362
Synonyms: 3- (3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)propanoicacid
Smiles: OC(=O)CCc1[nH]c2c(n1)n(C)c(=O)[nH]c2=O

STL146363
Synonyms: 3,4- dihydrobenzo[b]cyclopenta[e][1,4]diazepin- 1(2H)- one
Smiles: O=C1CCC2=C1C=Nc1c(N2)cccc1

STL146366
Synonyms: 4- hydroxy- 5,8- dimethoxyquinoline- 3- carboxylicacid
Smiles: COc1ccc(c2c1c(O)c(cn2)C(=O)O)OC

STL146367
Synonyms: 6- butyl- 4- hydroxyquinoline- 3- carboxylicacid
Smiles: CCCCc1cc2c(O)c(cnc2cc1)C(=O)O

STL146368
Synonyms: 4- methyl- 4H- furo[3,2- b]pyrrole- 5- carboxylicacid
Smiles: OC(=O)c1cc2c(n1C)cco2

STL146369
Synonyms: 1H- indol- 3- yl[(3- methylbutyl)amino]aceticacid
Smiles: CC(CCNC(c1c[nH]c2c1cccc2)C(=O)O)C

STL146370
Synonyms: (benzylamino)(1H- indol- 3- yl)aceticacid
Smiles: OC(=O)C(c1c[nH]c2c1cccc2)NCc1ccccc1

STL146376
Synonyms: 2- (4- hydroxy- 6- methyl- 2- oxopyridin- 1(2H)- yl)propanoicacid
Smiles: OC(=O)C(n1c(C)cc(cc1=O)O)C

STL146380
Synonyms: 1,8- dihydroxy- 3- (hydroxymethyl)anthracene- 9,10- dione
Smiles: OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1

STL146381
Synonyms: 1,5- anhydro- 1- [4,5- dihydroxy- 2- (hydroxymethyl)- 10- oxo- 9,10- dihydroanthracen- 9- yl]hexitol
Smiles: OCc1cc(O)c2c(c1)C(C1OC(CO)C(C(C1O)O)O)c1c(C2=O)c(O)ccc1

STL146382
Synonyms: 2- (morpholin- 4- yl)ethyl(4E)- 6- (4- hydroxy- 6- methoxy- 7- methyl- 3- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)- 4- methylhex- 4- enoate
Smiles: COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)\C)c(O)c2c(c1C)COC2=O

STL146384
Synonyms: 1,5- anhydro- 1- [7- hydroxy- 3- (4- hydroxyphenyl)- 4- oxo- 4H- chromen- 8- yl]hexitol
Smiles: OCC1OC(C(C(C1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O

STL146385
Synonyms: 8,13- dihydroindolo[2',3':3,4]pyrido[2,1- b]quinazolin- 5(7H)- one
Smiles: O=c1c2ccccc2nc2n1CCc1c2[nH]c2c1cccc2

STL146386
Synonyms: 5- [(E)- 2- (4- hydroxyphenyl)ethenyl]benzene- 1,3- diol
Smiles: Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O

STL146388
Synonyms: methyl6- amino- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: COC(=O)c1cc(=O)c2c(o1)ccc(c2)N

STL146390
Synonyms: 5,7- dihydroxy- 2- (3- hydroxy- 4- methoxyphenyl)- 4H- chromen- 4- one
Smiles: COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O

STL146391
Synonyms: 3,5,7- trihydroxy- 2- (3,4,5- trihydroxyphenyl)- 2,3- dihydro- 4H- chromen- 4- one
Smiles: Oc1cc2OC(c3cc(O)c(c(c3)O)O)C(C(=O)c2c(c1)O)O

STL146392
Synonyms: 2- (3,4- dihydroxyphenyl)- 3,7- dihydroxy- 4H- chromen- 4- one
Smiles: Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O

STL146393
Synonyms: 3,5- dihydroxy- 4- [3- (3- hydroxy- 4- methoxyphenyl)propanoyl]phenyl2- O- (6- deoxyhexopyranosyl)hexopyranoside
Smiles: OCC1OC(Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O

STL146394
Synonyms: 5- methyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrido[2,3- d]pyrimidine- 7- carboxylicacid
Smiles: O=c1[nH]c2nc(cc(c2c(=O)[nH]1)C)C(=O)O

STL146395
Synonyms: 1- methyl- 1H- indol- 4- amine
Smiles: Nc1cccc2c1ccn2C

STL146398
Synonyms: (2E)- 3- methylpent- 2- enedioicacid
Smiles: OC(=O)C/C(=C/C(=O)O)/C

STL146399
Synonyms: diethylcarbamodithioate
Smiles: CCN(C(=S)[S-])CC

STL146400
Synonyms: hydrogen[1- hydroxy- 1- phosphono- 2- (pyridin- 3- yl)ethyl]phosphonate
Smiles: OC(P(=O)(O)O)(P(=O)(O)[O-])Cc1cccnc1

STL146401
Synonyms: 3- amino- 5- fluoro- 1H- indole- 2- carbohydrazide
Smiles: NNC(=O)c1[nH]c2c(c1N)cc(cc2)F

STL146403
Synonyms: 3- amino- 5- methyl- 1H- indole- 2- carbohydrazide
Smiles: NNC(=O)c1[nH]c2c(c1N)cc(cc2)C

STL146404
Synonyms: 3- amino- 6- methoxy- 1H- indole- 2- carbohydrazide
Smiles: NNC(=O)c1[nH]c2c(c1N)ccc(c2)OC

STL146406
Synonyms: 3- amino- 4- methoxy- 1H- indole- 2- carbohydrazide
Smiles: NNC(=O)c1[nH]c2c(c1N)c(OC)ccc2

STL146407
Synonyms: N- [(4- chlorophenyl)carbonyl]- 3- (2- oxo- 1,2- dihydroquinolin- 4- yl)alanine
Smiles: Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(=O)[nH]c2c1cccc2

STL146411
Synonyms: (2E,4E)- hexa- 2,4- dienedioicacid
Smiles: OC(=O)/C=C/C=C/C(=O)O

STL146414
Synonyms: 2- oxo- 3- (3- oxo- 1- phenylbutyl)- 2H- chromen- 4- olate
Smiles: CC(=O)CC(c1c(=O)oc2c(c1[O-])cccc2)c1ccccc1

STL146415
Synonyms: 3- (3,4- dihydroxyphenyl)- 2- hydrazinyl- 2- methylpropanoicacid
Smiles: NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C

STL146416
Synonyms: N~4~- (6- methoxyquinolin- 8- yl)pentane- 1,4- diamine
Smiles: NCCCC(Nc1cc(OC)cc2c1nccc2)C

STL146420
Synonyms: 6,7- dimethoxyquinazolin- 4(3H)- one
Smiles: COc1cc2c(cc1OC)nc[nH]c2=O

STL146422
Synonyms: (4- chloro- 2- fluorophenyl)hydrazine
Smiles: NNc1ccc(cc1F)Cl

STL146423
Synonyms: (2- chloro- 5- fluorophenyl)hydrazine
Smiles: NNc1cc(F)ccc1Cl

STL146425
Synonyms: naphthalene- 1,8- diamine
Smiles: Nc1cccc2c1c(N)ccc2

STL146429
Synonyms: methylhydrazine

STL146432
Synonyms: N- hydroxypropanamide
Smiles: CCC(=O)NO

STL146433
Synonyms: 2- nitrobenzenesulfonylchloride
Smiles: [O-][N+](=O)c1ccccc1S(=O)(=O)Cl

STL146443
Synonyms: 5- aminopyrimidine- 2,4(1H,3H)- dione
Smiles: Nc1c[nH]c(=O)[nH]c1=O

STL146459
Synonyms: ethylpropanedioicacid
Smiles: CCC(C(=O)O)C(=O)O

STL146470
Synonyms: benzylpropanedioicacid
Smiles: OC(=O)C(C(=O)O)Cc1ccccc1

STL146478
Synonyms: [4- (dimethylamino)phenyl](phenyl)methanone
Smiles: CN(c1ccc(cc1)C(=O)c1ccccc1)C

STL146485
Synonyms: 2,2- dimethoxyethanamine
Smiles: NCC(OC)OC

STL194266
Synonyms: 2,5- dimethoxytetrahydrofuran
Smiles: COC1CCC(O1)OC

STL146492
Synonyms: methyl2- oxopropanoate
Smiles: COC(=O)C(=O)C

STL146501
Synonyms: 2,5- dichloro- 3,6- dihydroxycyclohexa- 2,5- diene- 1,4- dione
Smiles: OC1=C(Cl)C(=O)C(=C(C1=O)Cl)O

STL146502
Synonyms: pentan- 1- amine
Smiles: CCCCCN

STL146512
Synonyms: 3- oxo- 3H- 1,2- benzothiazol- 2- ide1,1- dioxide
Smiles: O=C1[N-]S(=O)(=O)c2c1cccc2

STL146519
Synonyms: diethylethanedioate
Smiles: CCOC(=O)C(=O)OCC

STL146525
Synonyms: N- carbamothioylacetamide
Smiles: CC(=O)NC(=S)N

STL146527
Synonyms: methyl3- oxobutanoate
Smiles: COC(=O)CC(=O)C

STL194267
Synonyms: hexane- 2,5- dione
Smiles: CC(=O)CCC(=O)C

STL194268
Synonyms: 2- (methylamino)ethanol
Smiles: CNCCO

STL146546
Synonyms: dimethylpropanedioate
Smiles: COC(=O)CC(=O)OC

STL146551
Synonyms: 1- iodobutane
Smiles: CCCCI

STL146555
Synonyms: 4,4- dimethoxybutan- 2- one
Smiles: COC(CC(=O)C)OC

STL194269
Synonyms: N- propylpropan- 1- amine
Smiles: CCCNCCC

STL146563
Synonyms: 3,5- dinitrobenzoylchloride
Smiles: ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STL146568
Synonyms: 4- tert- butylbenzaldehyde
Smiles: O=Cc1ccc(cc1)C(C)(C)C

STL146570
Synonyms: ethyl2- benzyl- 3- oxobutanoate
Smiles: CCOC(=O)C(C(=O)C)Cc1ccccc1

STL146577
Synonyms: 1- iodohexane
Smiles: CCCCCCI

STL146579
Synonyms: dimethylhexanedioate
Smiles: COC(=O)CCCCC(=O)OC

STL146603
Synonyms: 1,1,1- triethoxyethane
Smiles: CCOC(OCC)(OCC)C

STL146609
Synonyms: ethylprop- 2- enoate
Smiles: CCOC(=O)C=C

STL146610
Synonyms: N,N- dibutylbutan- 1- amine
Smiles: CCCCN(CCCC)CCCC

STL146611
Synonyms: 5- acetyl- 2- hydroxybenzamide
Smiles: CC(=O)c1ccc(c(c1)C(=O)N)O

STL194271
Synonyms: 2- (ethylamino)ethanol
Smiles: OCCNCC

STL146624
Synonyms: 3- hydroxynaphthalene- 2- carboxylicacid
Smiles: OC(=O)c1cc2ccccc2cc1O

STL146625
Synonyms: pyridine- 2,5- dicarboxylicacid
Smiles: OC(=O)c1ccc(cn1)C(=O)O

STL146632
Synonyms: 2- sulfanylbutanedioicacid
Smiles: OC(=O)CC(C(=O)O)S

STL146639
Synonyms: 1- (diaminomethylidene)thiourea
Smiles: NC(=NC(=S)N)N

STL146640
Synonyms: 2- chloroethanamine
Smiles: NCCCl

STL146656
Synonyms: chromium(3+)tripyridine- 2- carboxylate
Smiles: [O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[Cr+3]

STL146661
Synonyms: 2- methoxy- 5- (1H- pyrazol- 1- yl)benzenesulfonylchloride
Smiles: COc1ccc(cc1S(=O)(=O)Cl)n1cccn1

STL146662
Synonyms: {[(3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)methyl]sulfanyl}aceticacid
Smiles: OC(=O)CSCc1[nH]c2c(n1)n(C)c(=O)[nH]c2=O

STL146665
Synonyms: 2- (methoxymethyl)- 7- phenyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine- 5- carboxylicacid
Smiles: COCc1nn2c(n1)NC(=CC2c1ccccc1)C(=O)O

STL146668
Synonyms: 2- methyl- 3- oxo- 2,3- dihydro- 1H- pyrazolo[4,3- c]quinoline- 8- carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)c1[nH]n(c(=O)c1cn2)C

STL146669
Synonyms: 5- oxo- 1- phenyl- 2,5- dihydro- 1H- pyrazole- 3- carboxylicacid
Smiles: OC(=O)c1[nH]n(c(=O)c1)c1ccccc1

STL146670
Synonyms: 3- (5- methyl- 2,7- dioxo- 1,2,4,7- tetrahydropyrazolo[1,5- a]pyrimidin- 6- yl)propanoicacid
Smiles: OC(=O)CCc1c(C)[nH]c2n(c1=O)[nH]c(=O)c2

STL146671
Synonyms: 5- (chloromethyl)- 7- oxo- 4,7- dihydropyrazolo[1,5- a]pyrimidine- 3- carbonitrile
Smiles: ClCc1cc(=O)n2c([nH]1)c(C#N)cn2

STL146674
Synonyms: 3- (pyrrolidin- 1- ylmethyl)- 1H- indole- 4- carboxylicacid
Smiles: OC(=O)c1cccc2c1c(c[nH]2)CN1CCCC1

STL146675
Synonyms: 3- (morpholin- 4- ylmethyl)- 1H- indole- 6- carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)[nH]cc2CN1CCOCC1

STL146678
Synonyms: (4- oxoquinolin- 1(4H)- yl)aceticacid
Smiles: OC(=O)Cn1ccc(=O)c2c1cccc2

STL146680
Synonyms: 6- (furan- 2- yl)- 2- oxo- 1,2- dihydropyridine- 3- carboxylicacid
Smiles: OC(=O)c1ccc([nH]c1=O)c1ccco1

STL146686
Synonyms: diethyl(cyanomethyl)phosphonate
Smiles: CCOP(=O)(CC#N)OCC

STL146688
Synonyms: 4- (1,2- oxazol- 5- yl)thiophene- 2- sulfonylchloride
Smiles: ClS(=O)(=O)c1scc(c1)c1ccno1

STL146689
Synonyms: 4- (3- methyl- 1,2- oxazol- 5- yl)thiophene- 2- sulfonylchloride
Smiles: Cc1noc(c1)c1csc(c1)S(=O)(=O)Cl

STL146693
Synonyms: 2- methyl- 7- oxo- 3- phenyl- 4,7- dihydropyrazolo[1,5- a]pyrimidine- 6- carboxylicacid
Smiles: Cc1nn2c(c1c1ccccc1)[nH]cc(c2=O)C(=O)O

STL146699
Synonyms: 6- (piperazin- 1- yl)[1,2,4]triazolo[4,3- b]pyridazine
Smiles: N1CCN(CC1)c1ccc2n(n1)cnn2

STL146704
Synonyms: 1- (6- fluoro- 4H- 1,3- benzodioxin- 8- yl)methanamine
Smiles: NCc1cc(F)cc2c1OCOC2

STL146708
Synonyms: 2- [(4- fluorophenyl)sulfonyl]ethanamine
Smiles: NCCS(=O)(=O)c1ccc(cc1)F

STL146710
Synonyms: 7- methoxyquinolin- 3- amine
Smiles: COc1ccc2c(c1)ncc(c2)N

STL146711
Synonyms: 5- oxo- 1- phenyl- 4,5- dihydro- 1H- pyrazole- 4- carboxylicacid
Smiles: OC(=O)C1C=NN(C1=O)c1ccccc1

STL146715
Synonyms: 4- (1H- pyrazol- 1- yl)butanoicacid
Smiles: OC(=O)CCCn1cccn1

STL146716
Synonyms: 1- benzyl- 4- (2- hydroxyethyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 3- carboxylicacid
Smiles: OCCC1C(=O)N(N=C1C(=O)O)Cc1ccccc1

STL146717
Synonyms: 5- (4- chlorophenyl)- 1,2- oxazole- 4- carboxylicacid
Smiles: OC(=O)c1cnoc1c1ccc(cc1)Cl

STL146718
Synonyms: 5- (4- fluorophenyl)- 1,2- oxazole- 4- carboxylicacid
Smiles: OC(=O)c1cnoc1c1ccc(cc1)F

STL146721
Synonyms: 4- [(6- chloropyridazin- 3- yl)oxy]benzaldehyde
Smiles: O=Cc1ccc(cc1)Oc1ccc(nn1)Cl

STL146722
Synonyms: 3- [(6- chloropyridazin- 3- yl)oxy]benzaldehyde
Smiles: O=Cc1cccc(c1)Oc1ccc(nn1)Cl

STL146723
Synonyms: 5- methyl- 4- oxo- 2- thioxo- 1,2,3,4- tetrahydropyrido[2,3- d]pyrimidine- 7- carboxylicacid
Smiles: OC(=O)c1cc(C)c2c(n1)[nH]c(=S)[nH]c2=O

STL146726
Synonyms: 4- bromo- 1- methyl- 3- phenyl- 1H- pyrazole- 5- carboxylicacid
Smiles: OC(=O)c1n(C)nc(c1Br)c1ccccc1

STL146730
Synonyms: [4- (2- amino- 1,3- thiazol- 4- yl)phenoxy]aceticacid
Smiles: OC(=O)COc1ccc(cc1)c1csc(n1)N

STL146733
Synonyms: hexadecanoicacid
Smiles: CCCCCCCCCCCCCCCC(=O)O

STL146742
Synonyms: 3- chloro- 5- (tetrahydrofuran- 2- yl)- 1H- 1,2,4- triazole
Smiles: Clc1n[nH]c(n1)C1CCCO1

STL146746
Synonyms: 5,6,7- trihydroxy- 2- phenyl- 4H- chromen- 4- one
Smiles: Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1

STL146749
Synonyms: 4- (4- hydroxy- 6- methyl- 2- oxopyridin- 1(2H)- yl)butanoicacid
Smiles: OC(=O)CCCn1c(C)cc(cc1=O)O

STL146750
Synonyms: 3- (1H- pyrrolo[2,3- b]pyridin- 3- yl)alanine
Smiles: NC(C(=O)O)Cc1c[nH]c2c1cccn2

STL146753
Synonyms: 5,8- dimethoxy- 1- methyl- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: COc1ccc(c2c1c(=O)c(cn2C)C(=O)O)OC

STL146757
Synonyms: (8E,14E,16E,18E,20E)- 22- [(3- amino- 3,6- dideoxyhexopyranosyl)oxy]- 1,3,26- trihydroxy- 12- methyl- 10- oxo- 6,11,28- trioxatricyclo[22.3.1.0~5,7~]octacosa- 8,14,16,18,20- pentaene- 25- carboxylicacid
Smiles: CC1C/C=C/C=C/C=C/C=C/C(OC2OC(C)C(C(C2O)N)O)CC2OC(CC(CC3C(/C=C/C(=O)O1)O3)O)(O)CC(C2C(=O)O)O

STL146758
Synonyms: 2- hydroxy- 6,7- dihydro- 5H- cyclopenta[b]pyridine- 3- carboxylicacid
Smiles: OC(=O)c1cc2CCCc2nc1O

STL146759
Synonyms: 2- (pyridin- 3- yl)- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: O=C1NC(Nc2c1cccc2)c1cccnc1

STL146761
Synonyms: 3- formyl- 5,6- dimethoxy- 1- methyl- 1H- indole- 2- carboxylicacid
Smiles: COc1cc2c(cc1OC)c(c(n2C)C(=O)O)C=O

STL146763
Synonyms: 7- methoxy- 1- methyl- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: COc1ccc2c(c1)n(C)cc(c2=O)C(=O)O

STL146765
Synonyms: 3- amino- 3- (3- hydroxy- 4- methoxyphenyl)propanoicacid
Smiles: COc1ccc(cc1O)C(CC(=O)O)N

STL146768
Synonyms: 4- (3,4- dimethyl- 1,2- oxazol- 5- yl)thiophene- 2- sulfonylchloride
Smiles: Cc1noc(c1C)c1csc(c1)S(=O)(=O)Cl

STL146769
Synonyms: 5,6,7,8,9,10- hexahydrocyclohepta[b]indole- 2- sulfonylchloride
Smiles: ClS(=O)(=O)c1ccc2c(c1)c1CCCCCc1[nH]2

STL146777
Synonyms: 3- (3- chloro- 1H- 1,2,4- triazol- 5- yl)propanoicacid
Smiles: OC(=O)CCc1nc(n[nH]1)Cl

STL146782
Synonyms: 2- (pyridin- 4- yl)- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: O=C1NC(Nc2c1cccc2)c1ccncc1

STL146789
Synonyms: 2- (1H- benzimidazol- 2- yl)- 1- (4- fluorophenyl)ethanamine
Smiles: Fc1ccc(cc1)C(Cc1nc2c([nH]1)cccc2)N

STL146791
Synonyms: 4- (1H- tetrazol- 5- ylmethoxy)benzoicacid
Smiles: OC(=O)c1ccc(cc1)OCc1nnn[nH]1

STL146793
Synonyms: 1,8- dimethyl- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: OC(=O)c1cn(C)c2c(c1=O)cccc2C

STL146797
Synonyms: 6- amino- 1- (4- fluorophenyl)- 5- nitrosopyrimidine- 2,4(1H,3H)- dione
Smiles: O=Nc1c(=O)[nH]c(=O)n(c1N)c1ccc(cc1)F

STL146798
Synonyms: 5,6- diamino- 1- (4- methoxyphenyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1N)N

STL146803
Synonyms: 5- chloro[1,2,4]triazolo[4,3- a]pyridine
Smiles: Clc1cccc2n1cnn2

STL146806
Synonyms: 2- methyl- 2,6- dihydro- 4H- thieno[3,4- c]pyrazol- 3- amine
Smiles: Nc1n(C)nc2c1CSC2

STL146810
Synonyms: 3- (1- methyl- 1,2,3,6- tetrahydropyridin- 4- yl)- 1H- indole
Smiles: CN1CCC(=CC1)c1c[nH]c2c1cccc2

STL146814
Synonyms: 3- (3- chlorophenyl)- 4- iodo- 1H- pyrazole- 5- carboxylicacid
Smiles: Clc1cccc(c1)c1n[nH]c(c1I)C(=O)O

STL146817
Synonyms: 4- bromo- 3- (2- chlorophenyl)- 1H- pyrazole- 5- carboxylicacid
Smiles: Clc1ccccc1c1n[nH]c(c1Br)C(=O)O

STL146820
Synonyms: 2,4- dioxo- 5- phenyl- 1,2,3,4- tetrahydropyrido[2,3- d]pyrimidine- 7- carboxylicacid
Smiles: O=c1[nH]c(=O)c2c([nH]1)nc(cc2c1ccccc1)C(=O)O

STL146822
Synonyms: 5- (2- chlorophenyl)pyrimidin- 4- amine
Smiles: Clc1ccccc1c1cncnc1N

STL146823
Synonyms: 3- (2- oxoazepan- 1- yl)propanoicacid
Smiles: OC(=O)CCN1CCCCCC1=O

STL146824
Synonyms: 5- (3- chloro- 4- fluorophenyl)- 1H- 1,2,4- triazol- 3- amine
Smiles: Nc1n[nH]c(n1)c1ccc(c(c1)Cl)F

STL146828
Synonyms: 6- (4,5- dichloro- 1H- imidazol- 1- yl)pyridin- 3- amine
Smiles: Nc1ccc(nc1)n1cnc(c1Cl)Cl

STL146831
Synonyms: 4- phenyl- 2- (1H- pyrrol- 1- yl)- 1,3- thiazole- 5- carboxylicacid
Smiles: OC(=O)c1sc(nc1c1ccccc1)n1cccc1

STL146832
Synonyms: 7,8- dimethoxy- 2,5- dihydro- 3H- indeno[1,2- c]pyridazin- 3- one
Smiles: COc1cc2c(cc1OC)Cc1c2n[nH]c(=O)c1

STL146833
Synonyms: [2- (2- amino- 1,3- thiazol- 4- yl)phenoxy]aceticacid
Smiles: OC(=O)COc1ccccc1c1csc(n1)N

STL146835
Synonyms: 8- fluoro- 2- methyl- 1,2,3,4- tetrahydrobenzo[b][1,6]naphthyridine- 10- carboxylicacid
Smiles: CN1Cc2c(C(=O)O)c3cc(F)ccc3nc2CC1

STL146841
Synonyms: N- (diphenylmethyl)- beta- alaninamide
Smiles: NCCC(=O)NC(c1ccccc1)c1ccccc1

STL146845
Synonyms: 3- (4- chlorophenyl)- 1- phenyl- 1H- pyrazole- 5- carboxylicacid
Smiles: Clc1ccc(cc1)c1nn(c(c1)C(=O)O)c1ccccc1

STL146846
Synonyms: N'- hydroxy- 4- {[5- (trifluoromethyl)pyridin- 2- yl]oxy}benzenecarboximidamide
Smiles: O/N=C(\c1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)/N

STL146848
Synonyms: 1- [4- (4- phenyl- 1,3- thiazol- 2- yl)phenyl]methanamine
Smiles: NCc1ccc(cc1)c1scc(n1)c1ccccc1

STL146850
Synonyms: 1- [2- (4- fluorophenoxy)ethyl]piperazine
Smiles: Fc1ccc(cc1)OCCN1CCNCC1

STL146853
Synonyms: 3,5- dimethyl- 1- (pyridin- 2- yl)- 1H- pyrazole- 4- carboxylicacid
Smiles: OC(=O)c1c(C)nn(c1C)c1ccccn1

STL146854
Synonyms: N- methyl- 2- (4- methyl- 1,3- thiazol- 5- yl)ethanamine
Smiles: CNCCc1scnc1C

STL146856
Synonyms: 3,5- dimethyl- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1H- pyrazol- 4- amine
Smiles: Cc1nn(c(c1N)C)C12CC3CC(C2)CC(C1)C3

STL146857
Synonyms: [2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 2H- tetrazol- 5- yl]aceticacid
Smiles: OC(=O)Cc1nnn(n1)C12CC3CC(C2)CC(C1)C3

STL146860
Synonyms: 3- (3- bromo- 1H- 1,2,4- triazol- 5- yl)propan- 1- ol
Smiles: OCCCc1nc(n[nH]1)Br

STL146861
Synonyms: 3- bromo- 5- phenyl- 1H- 1,2,4- triazole
Smiles: Brc1n[nH]c(n1)c1ccccc1

STL146862
Synonyms: 3- bromo- 5- (2- chlorophenyl)- 1H- 1,2,4- triazole
Smiles: Brc1n[nH]c(n1)c1ccccc1Cl

STL146865
Synonyms: 3- chloro- 1- (2- phenylethyl)- 1H- 1,2,4- triazole
Smiles: Clc1ncn(n1)CCc1ccccc1

STL146867
Synonyms: 3- bromo- 5- (1H- imidazol- 1- yl)- 1- methyl- 1H- 1,2,4- triazole
Smiles: Brc1nn(c(n1)n1cncc1)C

STL146868
Synonyms: 3- bromo- N,N- dimethyl- 1- (3- methylbutyl)- 1H- 1,2,4- triazol- 5- amine
Smiles: CC(CCn1nc(nc1N(C)C)Br)C

STL146869
Synonyms: 5- methyl- 3- phenyl- 1H- pyrazole- 4- carboxylicacid
Smiles: OC(=O)c1c(C)[nH]nc1c1ccccc1

STL146871
Synonyms: 5- (3,4,5- trimethoxyphenyl)- 1H- 1,2,4- triazol- 3- amine
Smiles: COc1cc(cc(c1OC)OC)c1[nH]nc(n1)N

STL146873
Synonyms: 5- amino- N,N- dimethyl- 1H- 1,2,4- triazole- 3- carboxamide
Smiles: CN(C(=O)c1n[nH]c(n1)N)C

STL146879
Synonyms: 5,6- diamino- 1- benzylpyrimidine- 2,4(1H,3H)- dione
Smiles: O=c1[nH]c(=O)n(c(c1N)N)Cc1ccccc1

STL146886
Synonyms: 3- [3- (1H- imidazol- 1- ylmethyl)- 1H- 1,2,4- triazol- 5- yl]aniline
Smiles: Nc1cccc(c1)c1[nH]nc(n1)Cn1cncc1

STL146887
Synonyms: 2- cyclohexyl- 1H- benzimidazol- 6- amine
Smiles: Nc1ccc2c(c1)[nH]c(n2)C1CCCCC1

STL146888
Synonyms: {[3- (trifluoromethyl)[1,2,4]triazolo[4,3- b]pyridazin- 6- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1ccc2n(n1)c(nn2)C(F)(F)F

STL146889
Synonyms: ethyl2- amino- 4- (4- methoxyphenyl)- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1c1ccc(cc1)OC)N

STL146890
Synonyms: 4- (4- methoxyphenyl)- 2- (1H- pyrrol- 1- yl)- 1,3- thiazole- 5- carboxylicacid
Smiles: COc1ccc(cc1)c1nc(sc1C(=O)O)n1cccc1

STL146891
Synonyms: 3- methyl- 1- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)butan- 1- amine
Smiles: CC(CC(c1nnc2n1cccc2)N)C

STL146895
Synonyms: 2- fluoro- 7,8,9,10- tetrahydro- 6H- cyclohepta[b]quinoline- 11- carboxylicacid
Smiles: Fc1ccc2c(c1)c(C(=O)O)c1c(n2)CCCCC1

STL146896
Synonyms: N- (2- methoxyethyl)- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: COCCNC1CCCc2c1[nH]c1c2cc(cc1)C

STL146897
Synonyms: 6- chloro- N- methyl- N- [2- (pyridin- 2- yl)ethyl]pyridazin- 3- amine
Smiles: Clc1ccc(nn1)N(CCc1ccccn1)C

STL146899
Synonyms: 5- chloro- N- hydroxy- 1H- 1,2,4- triazole- 3- carboxamide
Smiles: ONC(=O)c1n[nH]c(n1)Cl

STL146902
Synonyms: 4- hydroxy- 7- methoxyquinoline- 3- carboxylicacid
Smiles: COc1ccc2c(c1)ncc(c2O)C(=O)O

STL146904
Synonyms: 4- amino- 7- methoxyquinoline- 3- carboxylicacid
Smiles: COc1ccc2c(c1)ncc(c2N)C(=O)O

STL146905
Synonyms: 6- chloropyrazin- 2- amine
Smiles: Nc1cncc(n1)Cl

STL146908
Synonyms: 1H- imidazol- 2- amine
Smiles: Nc1ncc[nH]1

STL146913
Synonyms: 4- chloro- N,N- diethyl- 3- nitrobenzenesulfonamide
Smiles: CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)CC

STL146914
Synonyms: 2- (benzylamino)cyclohexanol
Smiles: OC1CCCCC1NCc1ccccc1

STL146926
Synonyms: (2- methylpropoxy)(diphenyl)acetate
Smiles: CC(COC(c1ccccc1)(c1ccccc1)C(=O)[O-])C

STL146928
Synonyms: 9- methyl- 4- oxo- 2- sulfanyl- 3,9- diazaspiro[5.5]undec- 1- ene- 1,5- dicarbonitrile
Smiles: N#CC1C(=O)NC(=C(C21CCN(CC2)C)C#N)S

STL146941
Synonyms: heptadecyl3- [(1- hydroxy- 2,2,6,6- tetramethylpiperidin- 4- yl)oxy]- 2- [(4- phenylpiperazin- 1- yl)methyl]propanoate
Smiles: CCCCCCCCCCCCCCCCCOC(=O)C(CN1CCN(CC1)c1ccccc1)COC1CC(C)(C)N(C(C1)(C)C)O

STL146947
Synonyms: spiro[cyclohexane- 1,1'- inden]- 3'(2'H)- one
Smiles: O=C1CC2(c3c1cccc3)CCCCC2

STL146955
Synonyms: 2- {[(4- hydroxyphenyl)carbonyl]amino}- 3- methylbutanoate
Smiles: CC(C(C(=O)[O-])NC(=O)c1ccc(cc1)O)C

STL146970
Synonyms: 6,6- dimethyl- 3- propyl- 6,7- dihydro- 1,2- benzoxazol- 4(5H)- one
Smiles: CCCc1noc2c1C(=O)CC(C2)(C)C

STL146994
Synonyms: {3- [(1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)oxy]pentane- 1,5- diylidyne}bis(azane)disulfide
Smiles: CC12CCC(C2(C)C)CC1OC(CC#[N+][S-])CC#[N+][S-]

STL147013
Synonyms: octahydrospiro[cyclohexane- 1,1'- inden]- 3'- ol
Smiles: OC1CC2(C3C1CCCC3)CCCCC2

STL147021
Synonyms: 6- bromo- 3- [(2- chlorophenyl)carbonyl]- 1,3- benzoxazol- 2(3H)- one
Smiles: Brc1ccc2c(c1)oc(=O)n2C(=O)c1ccccc1Cl

STL147025
Synonyms: N- (3,4- dimethoxybenzyl)tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: COc1cc(CNC(=O)C23CC4CC(C3)CC(C2)C4)ccc1OC

STL147028
Synonyms: 2- (2- oxo- 2- phenylethyl)isoquinolinium
Smiles: O=C(c1ccccc1)C[n+]1ccc2c(c1)cccc2

STL147044
Synonyms: 2- (9- ethyl- 9H- carbazol- 3- yl)acetamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)CC(=O)N

STL147053
Synonyms: spiro[1,3- benzodioxole- 2,3'- furan]- 2',5'(4'H)- dione
Smiles: O=C1OC(=O)CC21Oc1c(O2)cccc1

STL147059
Synonyms: ethyl3,4,6,7,8- pentamethyl- 6H- pyrrolo[3,2- f]indolizine- 2- carboxylate
Smiles: CCOC(=O)c1nc2c(c1C)c(C)n1c(c2)C(=C(C1C)C)C

STL147062
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yltricyclo[3.3.1.1~3,7~]dec- 1- ylcarbamate
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)OC1CN2CCC1CC2

STL147072
Synonyms: 2,2'- (9- methyl- 9H- carbazole- 3,6- diyl)diacetamide
Smiles: NC(=O)Cc1ccc2c(c1)c1cc(ccc1n2C)CC(=O)N

STL147092
Synonyms: 1- [6- bromo- 4- (2- chlorophenyl)- 2- oxo- 1,2- dihydroquinolin- 3- yl]pyridinium
Smiles: Brc1ccc2c(c1)c(c1ccccc1Cl)c(c(=O)[nH]2)[n+]1ccccc1

STL147094
Synonyms: N- (5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)alanine
Smiles: OC(=O)C(Nc1ncnc2c1c1CCCCc1s2)C

STL147100
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2- [(4- hydroxy- 6- oxo- 1,6- dihydropyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1nc2c(s1)cccc2)CSc1nc(O)cc(=O)[nH]1

STL147103
Synonyms: 1,1'- bis(2- oxo- 2- phenylethyl)- 6,6',7,7',8,8',9,9'- octahydro- 5H,5'H- 3,3'- bi[1,2,4]triazolo[4,3- a]azepin- 1- ium
Smiles: O=C(c1ccccc1)C[n+]1nc(n2c1CCCCC2)c1n[n+](c2n1CCCCC2)CC(=O)c1ccccc1

STL147109
Synonyms: 5- (4- hydroxyphenyl)- 1,3- dimethyl- 5,6- dihydropyrimido[4,5- b][1,5]benzoxazepine- 2,4(1H,3H)- dione
Smiles: Oc1ccc(cc1)C1Nc2ccccc2Oc2c1c(=O)n(C)c(=O)n2C

STL147115
Synonyms: 4- (benzylcarbamoyl)- 1- {2- oxo- 2- [phenyl(propan- 2- yl)amino]ethyl}pyridinium
Smiles: O=C(c1cc[n+](cc1)CC(=O)N(c1ccccc1)C(C)C)NCc1ccccc1

STL147116
Synonyms: 1- [3- (trifluoromethyl)phenyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1CC(=O)N(C(=O)N1)c1cccc(c1)C(F)(F)F

STL147119
Synonyms: N- (4- chlorophenyl)- N- (1H- indol- 3- yl)acetamide
Smiles: Clc1ccc(cc1)N(c1c[nH]c2c1cccc2)C(=O)C

STL147122
Synonyms: 4- (2- methoxyphenyl)- 2- (3- methoxyphenyl)- 6H- 1,3- oxazin- 6- one
Smiles: COc1cccc(c1)c1oc(=O)cc(n1)c1ccccc1OC

STL147131
Synonyms: 2- (biphenyl- 4- yl)- 4- phenyl- 6H- 1,3- oxazin- 6- one
Smiles: O=c1oc(nc(c1)c1ccccc1)c1ccc(cc1)c1ccccc1

STL147133
Synonyms: 2- (2,5- dimethylphenyl)quinoxaline
Smiles: Cc1ccc(c(c1)c1cnc2c(n1)cccc2)C

STL147137
Synonyms: [3- (2- hydroxy- 5- methoxyphenyl)- 1H- pyrazol- 4- yl](2- methylphenyl)methanone
Smiles: COc1ccc(c(c1)c1n[nH]cc1C(=O)c1ccccc1C)O

STL147142
Synonyms: [3- (2- hydroxy- 5- methoxyphenyl)- 1H- pyrazol- 4- yl](phenyl)methanone
Smiles: COc1ccc(c(c1)c1n[nH]cc1C(=O)c1ccccc1)O

STL147147
Synonyms: 2- [(E)- (4- methoxyphenyl)diazenyl]- 1,3- dimethyl- 1H- benzimidazol- 3- ium
Smiles: COc1ccc(cc1)/N=N/c1n(C)c2c([n+]1C)cccc2

STL147155
Synonyms: 8- (azepan- 1- yl)- 1,3- dimethyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCCC1

STL147182
Synonyms: methyl3- [(5,6- dihydro- 1,4- dioxin- 2- ylcarbonyl)amino]- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1c(NC(=O)C2=COCCO2)c2c([nH]1)ccc(c2)F

STL147184
Synonyms: 8- methoxy- 3- {[(E)- pyridin- 3- ylmethylidene]amino}- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1cccnc1

STL147193
Synonyms: 2- (anthracen- 9- ylcarbonyl)benzoicacid
Smiles: OC(=O)c1ccccc1C(=O)c1c2ccccc2cc2c1cccc2

STL147200
Synonyms: 6- (acetylamino)- 3- ethyl- 2- methyl- 1,3- benzothiazol- 3- ium
Smiles: CC[n+]1c(C)sc2c1ccc(c2)NC(=O)C

STL147201
Synonyms: 3- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(cc1)O

STL147222
Synonyms: N- tert- butyl- 6- chloro- N'- [2- (morpholin- 4- yl)ethyl]- 1,3,5- triazine- 2,4- diamine
Smiles: Clc1nc(NCCN2CCOCC2)nc(n1)NC(C)(C)C

STL147239
Synonyms: 8- chloro- 4- (4- cyclohexylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C1CCCCC1

STL147246
Synonyms: (2E,3E)- N- hydroxy- 2- (4- nitrobenzylidene)- 1- azabicyclo[2.2.2]octan- 3- imine
Smiles: O/N=C/1\C2CCN(\C1=C\c1ccc(cc1)[N+](=O)[O-])CC2

STL147254
Synonyms: 3- [(E)- 2- (2- cyanophenyl)ethenyl]- 4,4- diethyl- 3- hydroxy- 2- oxomorpholin- 4- ium
Smiles: N#Cc1ccccc1/C=C/C1(O)C(=O)OCC[N+]1(CC)CC

STL147257
Synonyms: N- [4- (1H- benzimidazol- 1- yl)- 4- oxobutyl]- N,4- dimethylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(CCCC(=O)n1cnc2c1cccc2)C

STL147259
Synonyms: 5- oxo- 5- [(1- phenyl- 1H- pyrazol- 3- yl)amino]pentanoicacid
Smiles: O=C(Nc1ccn(n1)c1ccccc1)CCCC(=O)O

STL147261
Synonyms: N,N- diethyl- N'- (5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)propane- 1,3- diamine
Smiles: CCN(CCCNc1ncnc2c1c1CCCCc1s2)CC

STL147262
Synonyms: 3- [(cyclohexylcarbamoyl)amino]- 5- fluoro- 1H- indole- 2- carboxylicacid
Smiles: O=C(Nc1c([nH]c2c1cc(F)cc2)C(=O)O)NC1CCCCC1

STL147269
Synonyms: ethyl3- [(5,6- dihydro- 1,4- dioxin- 2- ylcarbonyl)amino]- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C2=COCCO2)c2c([nH]1)ccc(c2)F

STL147270
Synonyms: 3,4- dimethoxy- N- (2- {[(2E)- 2- (pyridin- 2- ylmethylidene)hydrazinyl]carbonyl}phenyl)benzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1ccccc1C(=O)N/N=C/c1ccccn1

STL147275
Synonyms: 3- (3- chlorophenyl)- 1,3- diazaspiro[4.5]decane- 2,4- dione
Smiles: Clc1cccc(c1)N1C(=O)NC2(C1=O)CCCCC2

STL147276
Synonyms: [(6- ethoxy- 2- methylquinolin- 4- yl)sulfanyl]acetate
Smiles: CCOc1ccc2c(c1)c(SCC(=O)[O-])cc(n2)C

STL147285
Synonyms: (quinolin- 2- ylsulfanyl)acetate
Smiles: [O-]C(=O)CSc1ccc2c(n1)cccc2

STL147293
Synonyms: 2- [(2- methoxyphenyl)imino]dihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N=C1NC(=O)CC(=O)N1

STL147296
Synonyms: N- (1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)prop- 2- enamide
Smiles: C=CC(=O)NC1CC2C(C1(C)CC2)(C)C

STL147310
Synonyms: 2,6- dioxo- 5- propanoyl- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: CCC(=O)c1c([O-])[nH]c(=O)[nH]c1=O

STL147311
Synonyms: 3- (3- azido- 1H- 1,2,4- triazol- 1- yl)propanenitrile
Smiles: [N-]=[N+]=Nc1nn(cn1)CCC#N

STL147320
Synonyms: 5- (4- hydroxy- 2- oxo- 1,5- dihydro- 2H- chromeno[2,3- d]pyrimidin- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: O=c1nc(O)c2c([nH]1)Oc1c(C2c2c([O-])[nH]c(=O)[nH]c2=O)cccc1

STL147327
Synonyms: 1- [2- (2,4- dichlorophenoxy)ethyl]- 3- (2- hydroxyethyl)- 1,3- dihydro- 2H- benzimidazol- 2- iminium
Smiles: OCCn1c(=[NH2+])n(c2c1cccc2)CCOc1ccc(cc1Cl)Cl

STL147330
Synonyms: 1- (4- fluorophenyl)- 3- [(2Z)- 5- [(4- methoxyphenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: COc1ccc(cc1)OCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2)F)/s1

STL147338
Synonyms: 1- benzyl- 2- hydroxy- 6- oxo- 1,6- dihydropyrimidin- 4- olate
Smiles: [O-]c1cc(=O)n(c(n1)O)Cc1ccccc1

STL147340
Synonyms: 2- hydroxy- 3- (2- hydroxy- 4,4- dimethyl- 5- oxo- 4,5- dihydro- 1H- imidazol- 1- yl)- N,N- dimethylpropan- 1- aminium
Smiles: C[NH+](CC(CN1C(=NC(C1=O)(C)C)O)O)C

STL147342
Synonyms: 1- (2- {[(2,4- dichlorophenyl)carbonyl]oxy}propyl)- 4- methylpiperazin- 1- ium
Smiles: CN1CC[NH+](CC1)CC(OC(=O)c1ccc(cc1Cl)Cl)C

STL147344
Synonyms: 3- (3,6- dichloro- 9H- carbazol- 9- yl)- 2- hydroxy- N- (tetrahydrofuran- 2- ylmethyl)propan- 1- aminium
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)C[NH2+]CC1CCCO1

STL147362
Synonyms: [5- (2- hydroxyphenyl)- 1H- pyrazol- 4- yl](phenyl)methanone
Smiles: Oc1ccccc1c1[nH]ncc1C(=O)c1ccccc1

STL147364
Synonyms: 2- {[(8- carboxy- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)carbonyl]amino}- N,N- diethylethanaminium
Smiles: CC[NH+](CCNC(=O)C1CCCc2c1[nH]c1c2cccc1C(=O)O)CC

STL147365
Synonyms: ethyl4- (6- fluoro- 1- hexyl- 4- oxo- 3- {[(2E)- 4- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1,3- thiazol- 2(3H)- ylidene]carbamoyl}- 1,4- dihydroquinolin- 7- yl)piperazine- 1- carboxylate
Smiles: CCCCCCn1cc(C(=O)/N=c\2/scc([nH]2)C23CC4CC(C3)CC(C2)C4)c(=O)c2c1cc(N1CCN(CC1)C(=O)OCC)c(c2)F

STL147367
Synonyms: (2E)- 2- [(6- ethoxy- 4- methylquinazolin- 2- yl)imino]- 1,2- dihydroquinazolin- 4- ol
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)/N=c\1/nc(O)c2c([nH]1)cccc2

STL147373
Synonyms: 1- [2- hydroxy- 3- (2- hydroxy- 4,4- dimethyl- 5- oxo- 4,5- dihydro- 1H- imidazol- 1- yl)propyl]- 1H- benzotriazol- 3- ium
Smiles: OC(Cn1n[nH+]c2c1cccc2)CN1C(=NC(C1=O)(C)C)O

STL147381
Synonyms: 5- (4- ethoxybenzyl)- 1,3,4- thiadiazole- 2(3H)- thione
Smiles: CCOc1ccc(cc1)Cc1n[nH]c(=S)s1

STL147424
Synonyms: 4- (3,4- dimethoxyphenyl)- 7- hydroxy- 1- (pentan- 3- yl)- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(c(c1)OC)OC)CC

STL147425
Synonyms: methyl2- {[(E)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]amino}- 4,5- dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1N/C=C/1\C(=NC(=NC1=O)O)O)OC

STL147453
Synonyms: N- [(2Z)- 5- (hydrazinylcarbonyl)- 4- methyl- 1,3- thiazol- 2(3H)- ylidene]benzenesulfonamide
Smiles: NNC(=O)c1s/c(=N\S(=O)(=O)c2ccccc2)/[nH]c1C

STL147456
Synonyms: N- (2,5- dimethylphenyl)- 3- methyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1cccc(c1)C)Cc1cc2ccccc2[nH]c1=O)C

STL147462
Synonyms: 3- hexyl- 2,6- dihydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidin- 4(3H)- one
Smiles: CCCCCCn1c(O)nc(c(c1=O)C1NCCc2c1cccc2)O

STL147465
Synonyms: 6- hydroxy- 8- {[3- (1H- imidazol- 1- yl)propyl]amino}- 3- methyl- 7- (naphthalen- 1- ylmethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1n(Cc1cccc3c1cccc3)c(n2)NCCCn1cncc1)C

STL147468
Synonyms: 4- {[(E)- (4- chlorophenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(cc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STL147478
Synonyms: N- [(4Z)- 1- benzyl- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]naphthalen- 1- amine
Smiles: c1ccc(cc1)Cn1ncc2c1[nH]cn/c/2=N\c1cccc2c1cccc2

STL147494
Synonyms: (2E,5Z)- 5- (2- methoxybenzylidene)- 2- {[3- (trifluoromethyl)phenyl]imino}- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: COc1ccccc1/C=C/1\S/C(=N/c2cccc(c2)C(F)(F)F)/N=C1O

STL147504
Synonyms: 2- (3- ethyl- 1- phenyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)phenolate
Smiles: CCc1nn(c([nH+]1)c1ccccc1[O-])c1ccccc1

STL147526
Synonyms: N- butyl- N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]furan- 2- carboxamide
Smiles: CCCCN(C(=O)c1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O

STL147530
Synonyms: N- [4- cyano- 2- hydroxy- 5- methyl- 3- (trifluoromethyl)- 3H- pyrrol- 3- yl]- 2,3,4- trimethoxybenzamide
Smiles: N#CC1=C(C)N=C(C1(NC(=O)c1ccc(c(c1OC)OC)OC)C(F)(F)F)O

STL147555
Synonyms: 4- [(5Z)- 5- {[2- (dipropylammonio)- 4- oxo- 4H- pyrido[1,2- a]pyrimidin- 3- yl]methylidene}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoate
Smiles: CCC[NH+](c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCC(=O)[O-])CCC

STL147579
Synonyms: 4- (tricyclo[4.3.1.1~3,8~]undec- 1- yl)- 1,3- thiazol- 2(3H)- imine
Smiles: N=c1scc([nH]1)C12CC3CCC(C1)CC(C2)C3

STL147586
Synonyms: ethyl2- (3,4- dimethoxyphenyl)- 4- hydroxy- 5- methylthieno[3,4- d]pyrimidine- 7- carboxylate
Smiles: CCOC(=O)c1sc(c2c1nc(nc2O)c1ccc(c(c1)OC)OC)C

STL147587
Synonyms: N- [(2E)- 5- ethyl- 4- oxo- 1,3- thiazolidin- 2- ylidene]- 2- (4- methoxyphenoxy)acetamide
Smiles: CCC1S/C(=N/C(=O)COc2ccc(cc2)OC)/NC1=O

STL147598
Synonyms: N- [(2E)- 6- bromo- 4- phenylquinazolin- 2(3H)- ylidene]pyridin- 2- amine
Smiles: Brc1ccc2c(c1)c([nH]/c(=N\c1ccccn1)/n2)c1ccccc1

STL147606
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 4- {[1- (1,3- benzothiazol- 2- yl)- 5- hydroxy- 3- (trifluoromethyl)- 1H- pyrazol- 4- yl][4- (diethylamino)phenyl]methyl}- 5- (trifluoromethyl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCN(c1ccc(cc1)C(c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2)C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)CC

STL147609
Synonyms: {4- [(E)- (1- benzyl- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\C(=O)N=C(N(C1=O)Cc1ccccc1)O

STL147617
Synonyms: (4- bromophenyl)[5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazol- 4- yl]methanone
Smiles: Brc1ccc(cc1)C(=O)c1cn[nH]c1c1ccc(cc1O)C

STL147621
Synonyms: 3- amino- N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)/N=c/1\sc2c([nH]1)cccc2

STL147625
Synonyms: N- (5- chloro- 2- hydroxyphenyl)- 2- (2- hydroxy- 4- oxo- 4,5- dihydro- 1,3- thiazol- 5- yl)acetamide
Smiles: Oc1ccc(cc1NC(=O)CC1SC(=NC1=O)O)Cl

STL147631
Synonyms: N- [N- (4- chlorobenzyl)- N'- (4,6- dimethylpyrimidin- 2- yl)carbamimidoyl]- 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)N/C(=N/c1nc(C)cc(n1)C)/NCc1ccc(cc1)Cl

STL147661
Synonyms: 3- (prop- 2- en- 1- yl)- 2- sulfanyl- 5- (thiophen- 2- yl)thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCn1c(S)nc2c(c1=O)c(cs2)c1cccs1

STL147664
Synonyms: (4E)- 5- (3- chlorophenyl)- 4- [hydroxy(4- methylphenyl)methylidene]- 1- (5- methyl- 1,2- oxazol- 3- yl)pyrrolidine- 2,3- dione
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1noc(c1)C

STL147672
Synonyms: 7- (2,4- dichlorophenyl)- 5- (4- fluorophenyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(=N1)[nH]cn2)c1ccc(cc1Cl)Cl

STL147681
Synonyms: (1E)- 2- butyl- 1- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)imino]- 3- methyl- 1,5- dihydropyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(/c/1=N/c1c(=O)n(n(c1C)C)c1ccccc1)c1ccccc1[nH]2

STL147705
Synonyms: 3- {[(1Z)- 4- (4- hydroxyphenyl)phthalazin- 1(2H)- ylidene]amino}phenol
Smiles: Oc1ccc(cc1)c1n[nH]/c(=N\c2cccc(c2)O)/c2c1cccc2

STL147709
Synonyms: 4- methoxy- N- [(1Z)- 4- [4- methyl- 3- (piperidin- 1- ylsulfonyl)phenyl]phthalazin- 1(2H)- ylidene]aniline
Smiles: COc1ccc(cc1)/N=c/1\[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C

STL147715
Synonyms: (E)- [4,5- dioxo- 2- phenyl- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](4- propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STL147734
Synonyms: 4- {[(2E)- 4- hydroxy- 5,5- bis(hydroxymethyl)- 1,3- thiazol- 2(5H)- ylidene]amino}benzoicacid
Smiles: OCC1(CO)S/C(=N/c2ccc(cc2)C(=O)O)/N=C1O

STL147757
Synonyms: N- butyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 3- carboxamide
Smiles: CCCCN(C(=O)c1cccnc1)Cc1cc2ccc(cc2[nH]c1=O)C

STL147764
Synonyms: 2- [4- (3- methylpiperidinium- 1- yl)quinazolin- 2- yl]phenolate
Smiles: CC1CCC[NH+](C1)c1nc(nc2c1cccc2)c1ccccc1[O-]

STL147784
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- [(1- cyclohexyl- 5- ethyl- 4- hydroxy- 6- oxo- 1,6- dihydropyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCc1c(O)nc(n(c1=O)C1CCCCC1)SCC(=O)/N=c/1\sc2c([nH]1)cccc2

STL147803
Synonyms: (2Z)- 2- [(3- chlorophenyl)imino]- 4- hydroxy- 3- (morpholin- 4- yl)naphthalen- 1(2H)- one
Smiles: Clc1cccc(c1)/N=C\1/C(=C(O)c2c(C1=O)cccc2)N1CCOCC1

STL147831
Synonyms: 2- ethoxy- 4- {(E)- [5- iminio- 7- oxo- 2- (pyridin- 3- yl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}phenolate
Smiles: CCOc1cc(ccc1[O-])/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)c1cccnc1

STL147861
Synonyms: 3- [(1Z)- 2- hydroxy- 3,3- dimethylbut- 1- en- 1- yl]- 2H- 1,4- benzoxazin- 2- one
Smiles: O/C(=C\c1nc2ccccc2oc1=O)/C(C)(C)C

STL147870
Synonyms: (E)- [2- (4- fluorophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](4- methoxy- 3- methylphenyl)methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc[nH+]c1)/[O-]

STL147874
Synonyms: 5- (2,4- dihydroxyphenyl)- 4- phenyl- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(c(c1)O)c1n[nH]c(=S)n1c1ccccc1

STL147885
Synonyms: 5- {(4Z)- 4- [(3- hydroxyphenyl)imino]- 3,4- dihydrophthalazin- 1- yl}- N,2- dimethylbenzenesulfonamide
Smiles: CNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2cccc(c2)O)/c2c1cccc2

STL147916
Synonyms: [3- (2- fluorophenyl)- 1- hydroxy- 11- (4- methylphenyl)- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl](phenyl)methanone
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)c1ccccc1F

STL147923
Synonyms: ethyl2- ({3- [(4- hydroxy- 5,6- dimethylthieno[2,3- d]pyrimidin- 2- yl)sulfanyl]propanoyl}amino)- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCSc2nc(O)c3c(n2)sc(c3C)C)sc(c1C)C

STL147930
Synonyms: (1Z)- 3- methyl- 2- (3- methylbutyl)- 1- (pyridin- 4- ylimino)- 1,5- dihydropyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)/c(=N/c2ccncc2)/n2c1[nH]c1c2cccc1

STL147945
Synonyms: N- tert- butyl- 3- methoxy- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COc1cccc(c1)C(=O)N(C(C)(C)C)Cc1cc2ccccc2[nH]c1=O

STL147955
Synonyms: (3- {(E)- [1- (4- chlorophenyl)- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1cccc(c1)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O

STL147971
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 2- (2- nitrophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccccc1[N+](=O)[O-]

STL147985
Synonyms: (5Z)- 5- {[(2- aminocyclohexyl)amino]methylidene}- 3- [2- (4- fluorophenyl)ethyl]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: NC1CCCCC1N/C=C\1/C(=NC(=O)N(C1=O)CCc1ccc(cc1)F)O

STL147993
Synonyms: 2- hydroxy- 4- (4- hydroxy- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 7- ium- 2- yl)phenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)O)[O-])O

STL148000
Synonyms: 2- (4- {[(1Z)- 4- (4- chlorophenyl)phthalazin- 1(2H)- ylidene]amino}phenoxy)- N- methylacetamide
Smiles: CNC(=O)COc1ccc(cc1)/N=c/1\[nH]nc(c2c1cccc2)c1ccc(cc1)Cl

STL148003
Synonyms: 7- methyl- 2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: CSc1nc(O)c2c(n1)sc1c2CCC(C1)C

STL148013
Synonyms: 1- {7- [2- (1,3- benzothiazol- 2- ylsulfanyl)ethyl]- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl}piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

STL148033
Synonyms: 3- (diethylamino)- 6- methyl- 4- phenyl- 3,4- dihydroquinolin- 2- ol
Smiles: CCN(C1C(=Nc2c(C1c1ccccc1)cc(cc2)C)O)CC

STL148049
Synonyms: 3- benzyl- 6- chloro- 2- hydroxypyrimidin- 4(3H)- one
Smiles: Clc1cc(=O)n(c(n1)O)Cc1ccccc1

STL148059
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- [4- (propan- 2- yloxy)phenyl]pyrrolidin- 3- ylidene}(5- methylfuran- 2- yl)methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)C

STL148072
Synonyms: (E)- {4,5- dioxo- 2- [4- (propan- 2- yloxy)phenyl]- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene}(4- fluorophenyl)methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C

STL148097
Synonyms: (E)- [2- (3- bromophenyl)- 4,5- dioxo- 1- (pyrimidin- 1- ium- 2- yl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: Brc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1nccc[nH+]1

STL148109
Synonyms: 4- {[(E)- (2- bromophenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccccc1/C=N/n1c(COc2ccccc2)n[nH]c1=S

STL148134
Synonyms: 1- benzyl- 2- hydroxy- 4- oxo- N- (1,3- thiazol- 2- yl)- 1,4- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)n(Cc2ccccc2)c2c(c1=O)cccc2)Nc1nccs1

STL148139
Synonyms: 5- (furan- 2- yl)- 4- {[(E)- (3- methylthiophen- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccsc1/C=N/n1c(=S)[nH]nc1c1ccco1

STL148144
Synonyms: (E)- {1- [2- (dimethylammonio)ethyl]- 4,5- dioxo- 2- (pyridin- 4- yl)pyrrolidin- 3- ylidene}(furan- 2- yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccco2)/[O-])/C1c1ccncc1)C

STL148186
Synonyms: 3- [(Z)- 2- hydroxy- 2- phenylethenyl]- 2H- 1,4- benzoxazin- 2- one
Smiles: O/C(=C\c1nc2ccccc2oc1=O)/c1ccccc1

STL148216
Synonyms: 4- tert- butyl- N- (3- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: Cc1cccc(c1)N(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2ccccc2[nH]c1=O

STL148256
Synonyms: (E)- [2- (4- ethylphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](4- methoxy- 2- methylphenyl)methanolate
Smiles: CCc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[O-]

STL148265
Synonyms: 4- bromo- N- [(7Z)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(4H)- ylidene]aniline
Smiles: Brc1ccc(cc1)/N=c\1/cc(C)[nH]c2n1ncn2

STL148292
Synonyms: 4- (prop- 2- en- 1- yl)- 5- (4- propoxybenzyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCOc1ccc(cc1)Cc1n[nH]c(=S)n1CC=C

STL148305
Synonyms: 2- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)ammonio]methyl}- 6- methoxyphenolate
Smiles: COc1cccc(c1[O-])C[NH2+]c1c(C)n(n(c1=O)c1ccccc1)C

STL148320
Synonyms: 4- chloro- 2- {[(1- ethyl- 1H- 3,1- benzimidazol- 3- ium- 2- yl)amino]methyl}phenolate
Smiles: CCn1c(NCc2cc(Cl)ccc2[O-])[nH+]c2c1cccc2

STL148324
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- (4- propoxyphenyl)pyrrolidin- 3- ylidene}(5- methylfuran- 2- yl)methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STL148331
Synonyms: (E)- [2- (3- fluorophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: Fc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STL148334
Synonyms: 7- hydroxy- 1- (pentan- 3- yl)- 4- (4- propoxyphenyl)- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CC)CC)O

STL148341
Synonyms: 6- bromo- 4- (dibromomethyl)- 5,5- dimethyl- N- [(2E)- 4,5,6,7- tetrahydro- 1,3- benzothiazol- 2(3H)- ylidene]bicyclo[2.1.1]hexane- 1- carboxamide
Smiles: O=C(C12CCC(C1Br)(C2(C)C)C(Br)Br)/N=c\1/sc2c([nH]1)CCCC2

STL148379
Synonyms: 7- hydroxy- 4- (4- methoxyphenyl)- 1- (pentan- 3- yl)- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OC)CC

STL148384
Synonyms: 4- (6- methoxy- 2H- 1,3- benzoxazin- 3- ium- 3(4H)- yl)benzoate
Smiles: COc1ccc2c(c1)C[NH+](CO2)c1ccc(cc1)C(=O)[O-]

STL148385
Synonyms: (5E)- 1- phenyl- 5- (1H- pyrrol- 2- ylmethylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: SC1=NC(=O)/C(=C\c2ccc[nH]2)/C(=O)N1c1ccccc1

STL148394
Synonyms: 3- methyl- 2- [(5Z)- 4- oxo- 5- (pyridinium- 4- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoate
Smiles: CC(C(N1C(=S)S/C(=C\c2cc[nH+]cc2)/C1=O)C(=O)[O-])C

STL148415
Synonyms: (E)- (3- chloro- 4- methoxyphenyl){1- [2- (dimethylammonio)ethyl]- 4,5- dioxo- 2- [4- (propan- 2- yl)phenyl]pyrrolidin- 3- ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CC[NH+](C)C)/[O-]

STL148418
Synonyms: 6- hydroxy- 3- methyl- 7- {2- [(4- methyl- 1,3- thiazol- 2- yl)sulfanyl]ethyl}- 8- (morpholin- 4- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1csc(n1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCOCC1

STL148429
Synonyms: 2- (4- fluorophenyl)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Fc1ccc(cc1)c1nn2c([nH]1)nc(cc2=O)C

STL148440
Synonyms: 6- hydroxy- 8- [(2- hydroxyethyl)amino]- 3- methyl- 7- (3- methylbenzyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCNc1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C

STL148441
Synonyms: 4- hydroxy- 1,7- dimethyl- 8- (2- phenylethyl)- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)CCc1ccccc1)C)C

STL148443
Synonyms: (E)- {1- (6- methylpyridinium- 2- yl)- 4,5- dioxo- 2- [4- (propan- 2- yl)phenyl]pyrrolidin- 3- ylidene}(thiophen- 2- yl)methanolate
Smiles: Cc1cccc([nH+]1)N1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(cc1)C(C)C

STL148449
Synonyms: 4- methyl- 2- {[(1- propyl- 1H- 3,1- benzimidazol- 3- ium- 2- yl)amino]methyl}phenolate
Smiles: CCCn1c(NCc2cc(C)ccc2[O-])[nH+]c2c1cccc2

STL148450
Synonyms: 1- [1- hydroxy- 3,3- dimethyl- 11- (pyridin- 3- yl)- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 3- methylbutan- 1- one
Smiles: CC(CC(=O)N1C(c2cccnc2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C)C

STL148452
Synonyms: 4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperazin- 1- ium- 1- yl)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 3- hydroxyphenolate
Smiles: CN1CC[NH+](CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1O)[O-]

STL148471
Synonyms: 1- benzyl- 2- hydroxy- 4- oxo- N- (pyridin- 3- yl)- 1,4- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(=O)c2ccccc2n(c1O)Cc1ccccc1)Nc1cccnc1

STL148495
Synonyms: (5E)- 6- hydroxy- 3- methyl- 5- {[1- (3- nitrophenyl)- 1H- pyrrol- 2- yl]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\c2cccn2c2cccc(c2)[N+](=O)[O-])/C(=O)N1C

STL148511
Synonyms: (4Z)- 5- hydroxy- 4- ({5- [3- nitro- 4- (piperidin- 1- yl)phenyl]furan- 2- yl}methylidene)- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: OC1=NN(C(=O)/C/1=C\c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)c1ccccc1

STL148529
Synonyms: (5E)- 1- (butan- 2- yl)- 5- ({2- [2- (diethylamino)ethyl]hydrazinyl}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN(CCNN/C=C/1\C(=O)N=C(N(C1=O)C(CC)C)S)CC

STL148583
Synonyms: (E)- {1- [3- (dimethylammonio)propyl]- 2- (3- fluorophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(pyridin- 4- yl)methanolate
Smiles: Fc1cccc(c1)C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

STL148614
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- [hydroxy(4- methylphenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)NC1c1ccc(cc1)Cl)/O

STL148615
Synonyms: 2- ({6- hydroxy- 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl}sulfanyl)propanoicacid
Smiles: OC(Cn1c(SC(C(=O)O)C)nc2c1c(O)nc(=O)n2C)COc1ccccc1C

STL148624
Synonyms: N'- (benzo[cd]indol- 2- yl)- 2- (1,3- benzothiazol- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(NNC1=Nc2c3c1cccc3ccc2)CSc1nc2c(s1)cccc2

STL148633
Synonyms: (5Z)- 1- (2- fluorophenyl)- 5- (furan- 2- ylmethylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\c1ccco1)c1ccccc1F

STL148635
Synonyms: 4- {(4E)- 4- [(4- methylphenyl)imino]- 3,4- dihydrophthalazin- 1- yl}benzamide
Smiles: Cc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(cc1)C(=O)N

STL148642
Synonyms: 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 6- hydroxy- 3- methyl- 8- [(3- methylbutyl)sulfanyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(SCCC(C)C)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)Cl

STL148652
Synonyms: {(3Z)- 3- [(2Z)- 2- [(2,3- dichlorophenyl)imino]- 4- hydroxy- 1,3- thiazol- 5(2H)- ylidene]- 2- oxo- 2,3- dihydro- 1H- indol- 1- yl}aceticacid
Smiles: OC(=O)CN1c2ccccc2/C(=C\2/S/C(=N\c3cccc(c3Cl)Cl)/N=C2O)/C1=O

STL148672
Synonyms: ethyl4- [6- hydroxy- 3- methyl- 7- (3- methylbenzyl)- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C