chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL15760
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch2]
|
CHEMBL16356
|
[C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring1][#C]
|
CHEMBL16357
|
[O][=C][Branch1][C][O][C@@H1][C][C][N][C][C@H1][Ring1][=Branch1][O]
|
CHEMBL16080
|
[C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
|
CHEMBL16081
|
[C][C][Branch1][C][N][=O]
|
CHEMBL16082
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]
|
CHEMBL16083
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][S][Ring1][=C]
|
CHEMBL16279
|
[N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=C][S][Ring1][#C]
|
CHEMBL16280
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][=N][Ring1][O][C][=C][Ring1][P][O][C]
|
CHEMBL16282
|
[C][N][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][Ring1]
|
CHEMBL16283
|
[C][C][C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][C][=C][C][=C][Ring2][Ring1][Ring2][C][=Branch2][Ring1][N][=C][Branch1][#Branch2][C][C][O][C][C][=Branch1][C][=O][O][N][Ring1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring2][=Branch2]
|
CHEMBL16369
|
[C][N][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][C]
|
CHEMBL16370
|
[Cl][C][C][Cl]
|
CHEMBL3309341
|
[C][O][C][=C][C][Branch1][C][Br][=C][Branch1][P][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][Ring1][Branch2][=O][C][=C][Ring1][P][O][C]
|
CHEMBL16390
|
[C][C][C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O]
|
CHEMBL16391
|
[C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C]
|
CHEMBL16392
|
[O][=C][O][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16393
|
[C][O][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][/C][=Branch1][#Branch1][=C][\C][Branch1][C][C][C][C][Ring1][#C][=O]
|
CHEMBL3309371
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][O][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL15761
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C]
|
CHEMBL15850
|
[C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C]
|
CHEMBL15851
|
[O][=C][Branch1][C][O][C@H1][C][N][C][C@@H1][Branch1][C][O][C][Ring1][#Branch1]
|
CHEMBL15853
|
[C][C][NH1][C][=N][C][=Ring1][Branch1][C][S][C][C][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2]
|
CHEMBL15854
|
[C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][C][N][=C][C][=C][Ring1][Branch2][S][Ring1][=N][=Branch1][C][=O][=O]
|
CHEMBL16084
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch2]
|
CHEMBL16085
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]
|
CHEMBL16086
|
[C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2][S][Ring1][=N][=Branch1][C][=O][=O]
|
CHEMBL16173
|
[C][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][C][Cl][=C][N][=C][N][Branch1][=Branch1][C][O][C][C][O][C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL16174
|
[C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2]
|
CHEMBL16175
|
[C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][Ring1][S]
|
CHEMBL16371
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][F][C][Ring2][Ring1][=Branch2]
|
CHEMBL16373
|
[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL16374
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][C][C][Ring1][N][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL16107
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][S][C][Branch1][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=N][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL16128
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O]
|
CHEMBL16129
|
[C][C][C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][S][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring1][P]
|
CHEMBL16130
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL16132
|
[O][=C][Branch1][C][O][C@@H1][C][C][N][C][C@@H1][Ring1][=Branch1][O]
|
CHEMBL16220
|
[O][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Cl][O][Ring1][=N]
|
CHEMBL15855
|
[C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL15954
|
[C][C@H1][Branch2][Ring1][Ring2][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][N][C][=Branch1][C][=O][O]
|
CHEMBL15955
|
[C][N][C][=Branch1][C][=O][S][C][=C][C][Branch2][Ring1][=Branch1][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL570
|
[C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][C]
|
CHEMBL15956
|
[C][C][C][S][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][Branch2][C][N][Ring1][N]
|
CHEMBL16176
|
[C][N][/C][=Branch1][=C][=N][\C][C][S][C][C][NH1][C][=N][C][=Ring1][Branch1][C][P][=Branch1][C][=O][Branch1][C][O][O][C]
|
CHEMBL16178
|
[C][C][N][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=C][S][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL16261
|
[O][=C][Branch1][C][O][C@@H1][C][C@H1][C][C@@H1][Branch1][P][C][=C][S][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][#Branch2][C][C][C@H1][Ring1][S][C][N][Ring2][Ring1][Ring2]
|
CHEMBL4543451
|
[O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][=N][O][C][Branch1][Ring1][C][O][=N][Ring1][#Branch1]
|
CHEMBL16262
|
[C][#C][C][C][C]
|
CHEMBL16108
|
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL16110
|
[C][=C][C][N][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL16111
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][=N]
|
CHEMBL16195
|
[O][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=N][Ring2][Ring1][Ring2]
|
CHEMBL16221
|
[O][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][Ring2][Ring1][=Branch1]
|
CHEMBL16223
|
[C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL16224
|
[C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2]
|
CHEMBL16225
|
[C][C][=C][NH1][C][=Ring1][Branch1]
|
CHEMBL16226
|
[O][=C][Branch1][C][O][C@H1][C][N][C][C][C@@H1][Ring1][=Branch1][O]
|
CHEMBL16227
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C@@H1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][O][O][C][O][Ring1][Branch2][=C][Ring2][Ring1][Ring2]
|
CHEMBL3309373
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=N][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL15957
|
[C][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2]
|
CHEMBL15958
|
[F][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][N][C][C][Ring1][Branch2]
|
CHEMBL111
|
[C][C][C][Branch1][=C][C][=Branch1][C][=O][N][N][C][C][C][C][C][Ring1][=Branch1][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL16051
|
[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL16052
|
[C][C][=C][Branch1][C][F][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
CHEMBL16053
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
|
CHEMBL16264
|
[C][C][O][C][C]
|
CHEMBL16265
|
[C][C][Branch1][C][C][N][Branch2][Ring2][N][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16266
|
[C][C][C][C][O][C][=C][C][=C][Branch2][Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C]
|
CHEMBL16359
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch2]
|
CHEMBL3310674
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1]
|
CHEMBL16196
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4543457
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N+1][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C].[Cl-1]
|
CHEMBL567
|
[O][C][C][N][C][C][N][Branch2][Ring1][O][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch2]
|
CHEMBL16197
|
[C][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][Ring1][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N][=C][C][Branch1][Ring2][C][C][C][=C][Ring2][Ring1][#Branch1][O][C][Branch1][=C][C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL16198
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C@@H1][C][/C][=Branch2][Ring1][Branch2][=N][\N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL16200
|
[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3309342
|
[O][=C][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][Ring1][Branch2][=C][C][=C][C][=C][S][Ring1][Branch1]
|
CHEMBL16309
|
[O][=C][C][=C][Branch2][Ring2][S][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][P][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring1][P]
|
CHEMBL16311
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][#Branch2][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring2][Ring1][Ring1]
|
CHEMBL4543482
|
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][C][C][N][C][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][Ring1][#Branch2][=N][Ring1][S]
|
CHEMBL4543483
|
[C][C][=C][C][=C][C][S][C][Branch2][Ring2][Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][=N][C][Ring2][Ring2][C][=Ring2][Ring1][=C]
|
CHEMBL4543484
|
[C][S][C][C][=N][N][Branch2][Ring1][Branch2][C@@H1][O][C@H1][Branch1][O][C][O][S][Branch1][C][N][=Branch1][C][=O][=O][C@@H1][Branch1][C][O][C@H1][Ring1][N][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1]
|
CHEMBL16312
|
[C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P]
|
CHEMBL3309374
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL16054
|
[O][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Br][O][Ring1][=C]
|
CHEMBL16055
|
[C][C][C][=C][C][=C][Branch1][C][Cl][O][C][Ring1][#Branch1][=O]
|
CHEMBL15763
|
[C][C][C][C][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15764
|
[C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL4543500
|
[C][C][O][C][=C][C][Branch1][Ring1][C][N][=C][C][=N][Ring1][Branch2]
|
CHEMBL4543501
|
[N][C@H1][C][C][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=Branch2]
|
CHEMBL4543502
|
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][O]
|
CHEMBL15766
|
[C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][O][C][=C][Ring1][#Branch2][O][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][=N][NH1][N][=Ring1][Branch1]
|
CHEMBL16360
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C@H1][C][C][C@H1][C][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch2][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL16361
|
[N-1][=N+1][=N][C][=C][C][=C][Branch2][Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][O][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][#Branch2][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C]
|
CHEMBL16362
|
[C][/C][=Branch2][Ring2][Branch2][=N][\C][=C][Branch1][C][O][C][=C][C][NH1][C][=C][Branch1][C][C][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=N][C][Ring2][Ring1][Branch1][=Ring1][S][C][=Branch1][C][=O][O]
|
CHEMBL16087
|
[C][C][Branch1][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][S][C][=Branch1][C][=O][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL3310675
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=N][Ring1][=Branch1]
|
CHEMBL16287
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL16288
|
[N][#C][C][=C][Branch1][C][N][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
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