ID
large_stringlengths
1
7
smiles
stringlengths
15
57
selfies
stringlengths
55
294
safe
stringlengths
15
83
14976
Cc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1]
C4(=O)CN1C(=O)COc2ccccc21.Cc1ccc6cc1.C6C5.N45
14977
O=C(CN1C(=O)COc2ccccc21)NCc1ccco1
[O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1]
O=C3CN1C(=O)COc2ccccc21.c15ccco1.N34.C45
14978
COc1cccc(CNC(=O)CN2C(=O)COc3ccccc32)c1
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][=Branch1]
C4(=O)CN1C(=O)COc2ccccc21.c15cccc7c1.CO5.C67.N46
14979
CC1CC(C)CN(C(=O)CN2C(=O)COc3ccccc32)C1
[C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Ring2][Ring1][Branch1]
C4(=O)CN1C(=O)COc2ccccc21.CC1CC(C)CN4C1
14980
O=C(CN1C(=O)COc2ccccc21)NCc1ccccn1
[O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1]
O=C3CN1C(=O)COc2ccccc21.c15ccccn1.N34.C45
14981
CC(NC(=O)C1CCC(=O)N1C1CCCC1)c1ccccc1
[C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
C14CCC(=O)N16.c15ccccc1.C16CCCC1.CC35.C24=O.N23
14982
O=C(CN1C(=O)COc2ccccc21)NCc1cccnc1
[O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
O=C3CN1C(=O)COc2ccccc21.c15cccnc1.N34.C45
14983
O=C(CN1C(=O)COc2ccccc21)N1CCCCC1
[O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1]
O=C3CN1C(=O)COc2ccccc21.N13CCCCC1
14984
COc1ccc(CN2CC(C(=O)NCC3CCCO3)CC2=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1]
c15ccc%10cc1.N18CC7CC1=O.C19CCCO1.C47=O.CO5.C8%10.N46.C69
14985
O=C(NCC1CCCO1)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C]
c17ccc(F)c(Cl)c1.C15CC(=O)N7C1.C16CCCO1.O=C35.N34.C46
14986
CCC(C)N1CC(C(=O)NCc2ccc3c(c2)OCO3)CC1=O
[C][C][C][Branch1][C][C][N][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][C][=O]
c18ccc2c(c1)OCO2.N17CC6CC1=O.CCC7C.C46=O.N45.C58
14987
O=C(NC1CC1)C1CC(=O)N(C2CCCCC2)C1
[O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N]
C15CC(=O)N6C1.C16CCCCC1.O=C35.C14CC1.N34
14989
O=C(NC1CCCC1)C1CC(=O)N(C2CCCCC2)C1
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N]
C15CC(=O)N6C1.C16CCCCC1.C14CCCC1.O=C35.N34
14990
O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCCC2)C1
[O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N]
c16ccc2c(c1)OCO2.C15CC(=O)N7C1.C17CCCCC1.O=C35.N34.C46
14992
O=C(NC1CCCCC1)C1CC(=O)N(C2CCCCC2)C1
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N]
C15CC(=O)N6C1.C14CCCCC1.C16CCCCC1.O=C35.N34
14993
COC(=O)NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1
[C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N]
C156Oc2ccccc2O1.C6(Cl)(Cl)Cl.C34=O.CO3.N45
14994
O=C(NCCc1ccccc1)C1CCC(=O)N1C1CCCCC1
[O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
C14CCC(=O)N16.c15ccccc1.C16CCCCC1.O=C24.C3C5.N23
14996
O=C(NC1CCCC1)C1CCC(=O)N1C1CCCC1
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1]
C14CCC(=O)N15.C13CCCC1.C15CCCC1.O=C24.N23
14997
Cc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCC2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1]
Cc1ccc6cc1.C15CCC(=O)N17.C17CCCC1.C6C4.C35=O.N34
14998
O=C(NC1CCCCC1)C1CCC(=O)N1C1CCCC1
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1]
C14CCC(=O)N15.C13CCCCC1.C15CCCC1.O=C24.N23
14999
COc1ccccc1CN1CC(C(=O)NCc2cccnc2)CC1=O
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][=O]
c14ccccc18.N17CC6CC1=O.c19cccnc1.C36=O.CO4.C78.N35.C59
15000
COc1ccccc1CN1CC(C(=O)NCC2CCCO2)CC1=O
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=C][=O]
c14ccccc19.N17CC6CC1=O.C18CCCO1.C36=O.CO4.C79.N35.C58
15001
O=C(NCCc1ccc(Cl)cc1)C1CC(=O)N(C2CCCC2)C1
[O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O]
c16ccc(Cl)cc1.C15CC(=O)N7C1.C17CCCC1.O=C35.C4C6.N34
15002
C=CCN(CC=C)C(=O)c1ccccc1C(=O)Nc1ccccc1
[C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
c17ccccc18.c16ccccc1.C=CC4.N245.C5C=C.C27=O.C38=O.N36
15003
O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCC2)C1
[O][=C][Branch1][N][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O]
C4CC1=CCCCC1.C15CC(=O)N6C1.C16CCCC1.O=C35.N34
15004
O=C(NCC1CCCO1)C1CC(=O)N(C2CCCC2)C1
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O]
C15CC(=O)N7C1.C16CCCO1.C17CCCC1.O=C35.N34.C46
15007
O=C(NC1CCCC1)C1CC(=O)N(C2CCCC2)C1
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O]
C15CC(=O)N6C1.C14CCCC1.C16CCCC1.O=C35.N34
15008
COc1ccccc1CNC(=O)C1CC(=O)N(C2CCCC2)C1
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O]
c14ccccc17.C16CC(=O)N8C1.C18CCCC1.C36=O.CO4.C57.N35
15009
CCc1ccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Branch1]
c17ccc8cc1.C16CC(=O)N9C1.C19CCCC1.C46=O.CC7.C58.N45
15010
O=C(C1CC(=O)N(C2CCCC2)C1)N1CCC2(CC1)OCCO2
[O][=C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]
N13CCC2(CC1)OCCO2.C14CC(=O)N5C1.C15CCCC1.O=C34
15011
O=C(NCc1cccs1)C1CC(=O)N(C2CCCC2)C1
[O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O]
C15CC(=O)N7C1.c16cccs1.C17CCCC1.O=C35.N34.C46
15012
COc1ccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Branch1]
c15ccc8cc1.C17CC(=O)N9C1.C19CCCC1.C47=O.CO5.C68.N46
15013
O=C(NCc1ccccn1)C1CC(=O)N(C2CCCC2)C1
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O]
C15CC(=O)N7C1.c16ccccn1.C17CCCC1.O=C35.N34.C46
15014
COc1ccc(CN2CC(C(=O)NCCC(C)C)CC2=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1]
c14ccc8cc1.N17CC6CC1=O.C5CC(C)C.C36=O.CO4.C78.N35
15016
COc1ccc(CN2CC(C(=O)NC3CCCC3)CC2=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1]
c15ccc9cc1.N18CC7CC1=O.C16CCCC1.C47=O.CO5.C89.N46
15017
CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CC3)C2)C1
[C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N][C][Ring2][Ring1][=Branch1]
CC1CC(C)CN(S(=O)(=O)N2CCCC6C2)C1.C46=O.C15CC1.N45
15018
COc1ccccc1CN1CC(C(=O)NC2CCCCC2)CC1=O
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][=O]
c14ccccc18.N17CC6CC1=O.C15CCCCC1.C36=O.CO4.C78.N35
15019
O=C(NCc1ccccn1)C1CCC(=O)N1C1CCCC1
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1]
C14CCC(=O)N16.c15ccccn1.C16CCCC1.O=C24.N23.C35
15020
O=C(NCc1ccc(F)cc1)C1CCC(=O)N1C1CCCC1
[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1]
c15ccc(F)cc1.C14CCC(=O)N16.C16CCCC1.O=C24.N23.C35
15021
CCc1ccc(CNC(=O)C2CCC(=O)N2C2CCCC2)cc1
[C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
c16ccc7cc1.C15CCC(=O)N18.C18CCCC1.C35=O.CC6.C47.N34
15023
CCC1Sc2ccccc2N(CC(=O)NCc2cccnc2)C1=O
[C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O]
C15Sc2ccccc2N(CC3=O)C1=O.c16cccnc1.CC5.N34.C46
15024
CCC1Sc2ccccc2N(CC(=O)NC2CC2)C1=O
[C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][P][=O]
C15Sc2ccccc2N(CC3=O)C1=O.C14CC1.CC5.N34
15025
CCC(C)NC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O]
n15nc6ccc1=O.c16ccc(C)cc1.CCC4C.C3(=O)C5.N34
15026
Cc1ccc(-c2ccc(=O)n(CC(=O)NC3CC3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2]
c17ccc(=O)n6n1.Cc1ccc7cc1.C6C4=O.C15CC1.N45
15027
Cc1ccc(-c2ccc(=O)n(CC(=O)N3CC(C)CC(C)C3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
c16ccc(=O)n5n1.N14CC(C)CC(C)C1.Cc1ccc6cc1.C5C4=O
15028
Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=C][C][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
c18ccc(=O)n6n1.Cc1ccc8cc1.c17ccccn1.C6C4=O.N45.C57
15029
Cc1ccc(-c2ccc(=O)n(CC(=O)NCCC(C)C)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1]
c16ccc(=O)n5n1.Cc1ccc6cc1.C4CC(C)C.C5C3=O.N34
15030
Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1]
c18ccc(=O)n6n1.Cc1ccc8cc1.c17ccco1.C6C4=O.N45.C57
15031
Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(C)CC3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=C][C][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1]
c16ccc(=O)n5n1.Cc1ccc6cc1.N14CCC(C)CC1.C5C4=O
15032
Cc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1]
c17ccc(=O)n6n1.Cc1ccc7cc1.C15CCCC1.C6C4=O.N45
15033
Cc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
c18ccc(=O)n6n1.Cc1ccc8cc1.c17ccccc1.C6C4=O.C5C7.N45
15034
Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3cccs3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1]
c18ccc(=O)n6n1.Cc1ccc8cc1.c17cccs1.C6C4=O.N45.C57
15035
Cc1ccc(-c2ccc(=O)n(CC(=O)NC(C)c3ccccc3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring2][C][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
c18ccc(=O)n6n1.Cc1ccc8cc1.c17ccccc1.C6C4=O.C57C.N45
15036
Cc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCCC3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1]
c17ccc(=O)n6n1.Cc1ccc7cc1.C15CCCCC1.C6C4=O.N45
15037
Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1]
c16ccc(=O)n5n1.Cc1ccc6cc1.N14CCCCC1.C5C4=O
15038
Cc1ccc(CNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1
[C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][=Branch2]
n16nc8ccc1=O.Cc1ccc7cc1.c18ccc(C)cc1.C4(=O)C6.C57.N45
15040
CCc1ccc(CNC(=O)C2CCC(=O)N2C2CCCCC2)cc1
[C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]
c16ccc7cc1.C15CCC(=O)N18.C18CCCCC1.C35=O.CC6.C47.N34
15041
O=C(NCc1cccs1)C1CCC(=O)N1C1CCCCC1
[O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
C14CCC(=O)N16.C16CCCCC1.c15cccs1.O=C24.N23.C35
15043
CCOc1ccc(CNC(=O)C2CCC(=O)N2C2CCCCC2)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]
c15ccc8cc1.C17CCC(=O)N19.C19CCCCC1.C37=O.CC4.O45.C68.N36
15044
Cc1ccc(CN2C(=O)CCC2C(=O)NCc2cccs2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1]
Cc1ccc8cc1.N16C(=O)CCC15.c17cccs1.C35=O.C68.N34.C47
15045
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCCCC1
[O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][N][C][C][C][C][C][Ring1][=Branch1]
n14nc5ccc1=O.c15ccc(Cl)cc1.N13CCCCC1.O=C3C4
15046
CC(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O]
n15nc6ccc1=O.c16ccc(Cl)cc1.CC(C)CC4.C3(=O)C5.N34
15047
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC1CCCO1
[O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][N][C][C][C][C][C][O][Ring1][Branch1]
n15nc7ccc1=O.c17ccc(Cl)cc1.C16CCCO1.O=C3C5.N34.C46
15048
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCCCC1
[O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][N][C][C][C][C][C][C][Ring1][=Branch1]
n15nc6ccc1=O.c16ccc(Cl)cc1.C14CCCCC1.O=C3C5.N34
15049
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCOCC1
[O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][N][C][C][O][C][C][Ring1][=Branch1]
n14nc5ccc1=O.c15ccc(Cl)cc1.N13CCOCC1.O=C3C4
15050
CC1CCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1
[C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][C][C][Ring2][Ring1][#Branch1]
n15nc6ccc1=O.CC1CCN4CC1.c16ccc(Cl)cc1.C4(=O)C5
15051
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccco1
[O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][N][C][C][=C][C][=C][O][Ring1][Branch1]
n15nc7ccc1=O.c17ccc(Cl)cc1.c16ccco1.O=C3C5.N34.C46
15052
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CC1
[O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][N][C][C][C][Ring1][Ring1]
n15nc6ccc1=O.c16ccc(Cl)cc1.O=C3C5.C14CC1.N34
15053
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCCC1
[O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][N][C][C][C][C][C][Ring1][Branch1]
n15nc6ccc1=O.c16ccc(Cl)cc1.C14CCCC1.O=C3C5.N34
15054
CCC(C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O]
n15nc6ccc1=O.c16ccc(Cl)cc1.CCC4C.C3(=O)C5.N34
15055
CC1CC(C)CN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)C1
[C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][C][Ring2][Ring1][Branch2]
CC1CC(C)CN4C1.n15nc6ccc1=O.c16ccccc1.C4(=O)CC5
15056
CC1CCCCC1NC(=O)CCn1nc(-c2ccccc2)ccc1=O
[C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
n15nc6ccc1=O.CC1CCCCC14.c16ccccc1.C3(=O)CC5.N34
15057
O=C(CCn1nc(-c2ccccc2)ccc1=O)NC1CCCC1
[O][=C][Branch2][Ring1][=Branch1][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][C][C][C][Ring1][Branch1]
n15nc6ccc1=O.c16ccccc1.O=C3CC5.C14CCCC1.N34
15058
O=C(CCn1nc(-c2ccccc2)ccc1=O)NCCc1ccccc1
[O][=C][Branch2][Ring1][=Branch1][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
n15nc7ccc1=O.c17ccccc1.c16ccccc1.O=C3CC5.C4C6.N34
15059
CC(NC(=O)CCn1nc(-c2ccccc2)ccc1=O)c1ccccc1
[C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
n15nc7ccc1=O.c17ccccc1.c16ccccc1.C3(=O)CC5.CC46.N34
15060
Cc1ccc(CNC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1
[C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch2]
n16nc8ccc1=O.Cc1ccc7cc1.c18ccccc1.C4(=O)CC6.C57.N45
15062
CCC(C)NC(=O)CCn1nc(-c2ccccc2)ccc1=O
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
n15nc6ccc1=O.c16ccccc1.C3(=O)CC5.CCC4C.N34
15063
Cc1ccc(-c2ccc(=O)n(CCC(=O)NC3CCCC3)n2)cc1
[C][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1]
c17ccc(=O)n6n1.Cc1ccc7cc1.C6CC4=O.C15CCCC1.N45
15064
Cc1ccc(CCN2CC(C(=O)NCCC(C)C)CC2=O)cc1
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][=Branch1]
Cc1ccc7cc1.N16CC5CC1=O.C4CC(C)C.C7C6.C35=O.N34
15066
O=C(NCc1ccccn1)C1CCC(=O)N1C1CCCCC1
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
C14CCC(=O)N16.c15ccccn1.C16CCCCC1.O=C24.N23.C35
15067
Cc1ccc(CNC(=O)C2CCC(=O)N2CCc2ccccc2)cc1
[C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]
Cc1ccc7cc1.C15CCC(=O)N16.c18ccccc1.C35=O.C6C8.C47.N34
15068
O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCCC1
[O][=C][Branch2][Ring1][=Branch2][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][N][C][C][C][C][C][Ring1][Branch1]
n15nc6ccc1=O.c16ccc(Cl)cc1.O=C3CC5.C14CCCC1.N34
15069
CC(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O]
n15nc6ccc1=O.c16ccc(Cl)cc1.C3(=O)CC5.CC4C.N34
15070
CCC(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O]
n15nc6ccc1=O.c16ccc(Cl)cc1.C3(=O)CC5.CCC4C.N34
15072
CC(C)(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O]
n15nc6ccc1=O.c16ccc(Cl)cc1.C3(=O)CC5.CC4(C)C.N34
15073
COc1ccc(CN2CC(C(=O)N3CCOCC3)CC2=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1]
c15ccc8cc1.N17CC6CC1=O.N14CCOCC1.C46=O.CO5.C78
15074
COc1ccc(CN2CC(C(=O)NC3CCCCCC3)CC2=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1]
c15ccc9cc1.N18CC7CC1=O.C16CCCCCC1.C47=O.CO5.C89.N46
15075
COc1ccc(CN2CC(C(=O)NCc3ccccn3)CC2=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1]
c15ccc%10cc1.N18CC7CC1=O.c19ccccn1.C47=O.CO5.C8%10.N46.C69
15076
CCC(C)NC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][#C]
C16CC(=O)N7C1.c18ccc4cc1.CCC5C.C36=O.N35.C78.O4C
15077
c1ccc(-n2nnnc2SCc2ccccn2)cc1
[C][=C][C][=C][Branch2][Ring1][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
c1ccc5cc1.n15nnnc16.c14ccccn1.S36.C34
15078
Cc1ccc(CNC(=O)C2CCC(=O)N2Cc2cccnc2)cc1
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
Cc1ccc7cc1.C15CCC(=O)N16.c18cccnc1.C35=O.C47.N34.C68
15079
CCC(C)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
C14CCC(=O)N15.c16ccc(C)cc1.CCC3C.C24=O.N23.C56
15080
Cc1ccc(CN2C(=O)CCC2C(=O)NCCc2ccccc2)cc1
[C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]
Cc1ccc7cc1.N16C(=O)CCC15.c18ccccc1.C35=O.C4C8.C67.N34
15081
Cc1ccc(CNC(=O)C2CCC(=O)N2Cc2ccc(C)cc2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
Cc1ccc7cc1.C15CCC(=O)N16.c18ccc(C)cc1.C35=O.C47.N34.C68
15082
Cc1ccc(CN2C(=O)CCC2C(=O)NC2CC2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1]
Cc1ccc7cc1.N16C(=O)CCC15.C35=O.C14CC1.C67.N34
15083
CC(C)CCNC(=O)C1CCC(=O)N1CCc1ccccc1
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
C14CCC(=O)N15.c16ccccc1.CC(C)CC3.C24=O.C5C6.N23
15084
O=C(NCCc1ccccc1)C1CCC(=O)N1CCc1ccccc1
[O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
C14CCC(=O)N15.c16ccccc1.c17ccccc1.O=C24.C3C6.C5C7.N23
15086
CCC(C)NC(=O)C1CC(=O)N(CCc2ccc(C)cc2)C1
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][#C]
C15CC(=O)N6C1.c17ccc(C)cc1.CCC4C.C35=O.C6C7.N34
15087
Cc1ccc(CCN2CC(C(=O)NC3CC3)CC2=O)cc1
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring2]
Cc1ccc8cc1.N17CC6CC1=O.C8C7.C46=O.C15CC1.N45
15088
Cc1ccc(CCN2CC(C(=O)NCC3CCCO3)CC2=O)cc1
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][#Branch1]
Cc1ccc9cc1.N17CC6CC1=O.C18CCCO1.C9C7.C46=O.N45.C58