chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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|---|---|
CHEMBL13985
|
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][P][O][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring2][C][Ring2][Ring1][=C]
|
CHEMBL13986
|
[C][C][C][C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C]
|
CHEMBL13987
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][=N]
|
CHEMBL14081
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][N][C][Branch1][C][N][=O][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2]
|
CHEMBL14082
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][Ring1][=N]
|
CHEMBL13908
|
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C]
|
CHEMBL13909
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL541
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13917
|
[C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL13938
|
[C][N][C][C][Branch1][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL13939
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Branch1][/C][=C][/C][O][C][=C][Ring1][#Branch2]
|
CHEMBL13940
|
[C][C][C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
|
CHEMBL13941
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][Ring1][Branch1][Branch1][C][C][C]
|
CHEMBL13942
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL14032
|
[C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][C][C][C]
|
CHEMBL14064
|
[C][C][Branch1][C][C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][S][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4543261
|
[C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2]
|
CHEMBL14155
|
[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL14156
|
[C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
CHEMBL14157
|
[C][S][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C]
|
CHEMBL14158
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][=C][Ring2][Ring1][#Branch2]
|
CHEMBL14084
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch2][Ring2][=Branch1][C][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][C][C][Branch1][C][C][C]
|
CHEMBL14085
|
[C][C][C][C][C][C][O]
|
CHEMBL14176
|
[C][C][Branch1][C][C][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][=Ring1][S][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4543273
|
[C][=C][Branch1][C][C][C][N][C][C][C][Branch1][N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][=N]
|
CHEMBL4543274
|
[C][C][N][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][C][N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL13918
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][N]
|
CHEMBL14005
|
[C][C][C][C][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1].[Cl]
|
CHEMBL14006
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL14007
|
[C][C][C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2].[Cl]
|
CHEMBL14009
|
[C][C][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2].[Cl]
|
CHEMBL14010
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL14011
|
[C][C][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1].[Cl]
|
CHEMBL14013
|
[C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL14033
|
[C][C][C][C][C][=Branch1][O][=N][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][=Branch1]
|
CHEMBL14034
|
[C][C][C][C][C][=Branch1][O][=N][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][=Branch1]
|
CHEMBL14035
|
[C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C]
|
CHEMBL14129
|
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL14242
|
[C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL539
|
[C][C][=Branch1][C][=O][O]
|
CHEMBL4543307
|
[N][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL4543308
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL4543309
|
[C][C][C][C][=Branch1][C][=O][C][C][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring1][C][C][=C][N][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][Ring2][Ring2][Ring1][=O]
|
CHEMBL14243
|
[N][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][=C]
|
CHEMBL14245
|
[C][C][C][C][O]
|
CHEMBL14246
|
[C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL14263
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O]
|
CHEMBL14264
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=Branch1][N][=C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][S]
|
CHEMBL13984
|
[C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O]
|
CHEMBL542
|
[N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
CHEMBL14104
|
[C][C][C][N][Branch1][=C][C][C][Se][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P]
|
CHEMBL14105
|
[C][N][Branch1][C][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL14106
|
[N][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=C]
|
CHEMBL14107
|
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL14108
|
[C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][C][=Ring1][Branch2][C][Ring2][Ring1][=C][=O]
|
CHEMBL14109
|
[C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL14130
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL14131
|
[C][C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][Se][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL14132
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
|
CHEMBL14134
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][O][C][Branch1][C][N][=O]
|
CHEMBL14247
|
[C][C][Branch1][C][C][Branch1][C][N][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O]
|
CHEMBL14248
|
[C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL13967
|
[C][C][N][C][=Branch1][C][=O][/C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL13968
|
[C][C][C][C][N]
|
CHEMBL13969
|
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][O][Ring1][S]
|
CHEMBL13487
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch2][Ring1][S][=C][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=S+1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring2][Ring1][O].[Cl-1]
|
CHEMBL13488
|
[O][=C][Branch2][Ring2][Branch2][N][C][C][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
|
CHEMBL13489
|
[C][C][C][C][C][/C][=C][Branch1][N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C]
|
CHEMBL13490
|
[C][C][C][C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C]
|
CHEMBL14207
|
[C][O][C][=Branch1][C][=O][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][O][C][Ring2][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL14208
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL14209
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL14210
|
[C][=C][C][=C][Branch1][#Branch2][C][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][=N]
|
CHEMBL14211
|
[C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14222
|
[C][C][Branch1][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][P][C][Ring2][Ring1][Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL14223
|
[C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL14224
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][S][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][=Branch2][C][C][=C][C][Ring1][Ring2][Ring1][Branch2][C][Ring1][#Branch2][C][Ring1][=C][=O][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][N]
|
CHEMBL13943
|
[C][O][C][=C][C][=C][Branch1][Branch1][/C][=C][/C][O][C][=C][Ring1][#Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C]
|
CHEMBL13945
|
[C][C][Branch1][C][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Branch1]
|
CHEMBL13946
|
[C][C][C][C][C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2].[Cl]
|
CHEMBL13970
|
[O][=C][Branch1][C][O-1][C][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][Ring1][=N].[Na+1]
|
CHEMBL13972
|
[N][#C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL14065
|
[C][C][=C][C][=C][Branch2][Ring1][N][N][N][=C][C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][#Branch1][C]
|
CHEMBL14066
|
[C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch2][N][Ring1][Branch1][C][Ring2][Ring1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C]
|
CHEMBL13593
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][O][C][=Branch1][C][=O][N][C]
|
CHEMBL13594
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][C@H1][N][C][=Branch1][C][=O][/C][=C][/C][C@@H1][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][N][C][Ring2][Ring1][S][=O][C][=C][Ring2][Ring2][Branch2][Cl]
|
CHEMBL13595
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][P][O][C][O][Ring1][#Branch1]
|
CHEMBL13596
|
[C][C][Branch1][C][C][N][C][Branch1][C][S][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1]
|
CHEMBL13597
|
[C][S][C][=C][C][=C][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][Ring1][N][=C][Ring1][S]
|
CHEMBL13599
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1]
|
CHEMBL13600
|
[C][C@@H1][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O]
|
CHEMBL13919
|
[C][C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch2][N][Ring1][Branch1][C][Ring2][Ring1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C]
|
CHEMBL13920
|
[C][#C][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
CHEMBL13921
|
[C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]
|
CHEMBL13922
|
[O][C@H1][C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O]
|
CHEMBL13923
|
[C][C][Branch1][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][N][C][Ring1][=N][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL13948
|
[C][C][=Branch1][C][=O][O].[C][C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL14039
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL14040
|
[C][N][Branch1][C][C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL14041
|
[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][=C][Ring1][S]
|
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