chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL16138
|
[C][O][C@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][C][Ring1][=C]
|
CHEMBL15959
|
[O][=C][C][=C][Branch2][Ring2][S][O][C][Branch1][C][O][=C][Ring1][#Branch1][C@@H1][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][F][C][=C][Ring1][#Branch1][=C][Ring1][P][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring1][P]
|
CHEMBL15961
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=C][NH1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL15962
|
[C][C][C][C][C][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][O][C][S]
|
CHEMBL16181
|
[C][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]
|
CHEMBL16183
|
[N][C][C][O].[N][C][C][O].[O][=C][Branch1][C][O][C][=Branch1][C][=O][N][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]
|
CHEMBL16184
|
[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][C][C][C][C][C][C][C][N]
|
CHEMBL16267
|
[C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][=N]
|
CHEMBL16117
|
[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][C][C][C][N][C][C][C][C][N][C][C][C][N]
|
CHEMBL16202
|
[O][=C][O][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL16203
|
[C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL4543561
|
[C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][=Branch1][=Branch1][=C][C][Ring1][#Branch1][=O][C][=C][C@H1][Branch1][C][O][C@@H1][Ring1][O][C]
|
CHEMBL4543562
|
[O][=C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][S][/C][=Branch1][N][=N][\C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][/N][=C][/C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][S][N][Ring2][Ring2][Ring2]
|
CHEMBL4543563
|
[C][O][C][=C][C][=C][NH1][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][Branch2][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=C][C][Ring2][Ring1][=C][=C][Ring2][Ring2][C]
|
CHEMBL4543564
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4543565
|
[C][=C][Branch1][C][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][O][C][Ring1][Branch1][=C][Branch1][=Branch2][O][C][C][=C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Ring2][Ring1][Ring2][=Ring1][#Branch1]
|
CHEMBL16204
|
[C][C][N][C][C][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=C][C][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL16205
|
[C][C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3309368
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][N+1][=Ring1][N][O-1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL16139
|
[C][C@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][S][C][C][S][Ring1][#Branch2]
|
CHEMBL16140
|
[C][C][O][P][=Branch1][C][=O][Branch1][C][O][/N][=C][Branch1][Ring1][\N][C][N][C][C][S][C][C][NH1][C][=N][C][=Ring1][Branch1][C]
|
CHEMBL16228
|
[C][N][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][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]
|
CHEMBL3309397
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Branch1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S][=C][Ring2][Ring1][=Branch2][=N][Ring2][Ring2][Branch1]
|
CHEMBL15670
|
[C][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][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][=C][Ring1][P]
|
CHEMBL15671
|
[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][=C][Ring1][P]
|
CHEMBL15672
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15673
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL15674
|
[C][=C][C][=C][Branch1][=C][C][C][N][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][C][=C][Ring1][#C]
|
CHEMBL16271
|
[C][N][Branch1][C][C][C][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Ring2][Ring1][C]
|
CHEMBL3309317
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL16291
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
|
CHEMBL16292
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL16293
|
[C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL16294
|
[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][C][O][C][=C][Ring1][#C][Ring1][#Branch1]
|
CHEMBL16295
|
[C][C][Branch1][C][C][C][C][=N][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=O]
|
CHEMBL16230
|
[C][O][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][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C].[N][C][C][O]
|
CHEMBL16231
|
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL16314
|
[C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][#C]
|
CHEMBL16315
|
[O][=C][Branch1][C][O][C][C][C][C][C][Branch1][#Branch2][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][C][C][Ring1][=N][C][N][Ring1][P]
|
CHEMBL16316
|
[C][C][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O]
|
CHEMBL15767
|
[C][C][C][=C][Branch1][C][F][C][Branch1][O][N][C][C][C][Branch1][C][N][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]
|
CHEMBL15768
|
[C][C][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][Branch1][C][C][C]
|
CHEMBL15769
|
[C][C][N][C][Branch1][S][C][=C][Branch1][C][Cl][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Cl][=C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring2][Ring1][Ring2]
|
CHEMBL15770
|
[C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][/C][Ring1][=C][=C][\C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL15771
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=O]
|
CHEMBL15772
|
[C][C][C][C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=N]
|
CHEMBL16364
|
[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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][C][Ring1][#Branch2]
|
CHEMBL16365
|
[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16366
|
[C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][S][C][C][=C][C][=C][Branch2][Ring2][#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][Ring2][Ring1][Ring2][N][Ring2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][S][Ring2][Ring2][C]
|
CHEMBL16367
|
[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][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][=N]
|
CHEMBL3309320
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=N][C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=C][Ring2][Ring1][N]
|
CHEMBL16381
|
[C][O][C][C][C][N][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL16383
|
[C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#C][C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][O][O][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C][C][C][C][C][Ring1][=Branch2][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL16317
|
[C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=C][O]
|
CHEMBL16400
|
[O][=C][C][=C][Branch2][Ring2][N][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring1][S]
|
CHEMBL16401
|
[C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15865
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch1]
|
CHEMBL15867
|
[C][=C][C][C@H1][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][C][C][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Branch1][C][Cl][N][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][C][Ring2][Ring2][C][B][O][C][C][C][C][C][Branch1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C@@][Ring1][=Branch2][Branch1][C][C][O][Ring1][=N]
|
CHEMBL15868
|
[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL15871
|
[C][C][C][#N]
|
CHEMBL15872
|
[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][C][=C][Ring1][=C][Ring1][=Branch1]
|
CHEMBL15873
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][C][C]
|
CHEMBL16368
|
[O][=C][C][=C][Branch2][Ring2][N][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring1][S][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring1][S]
|
CHEMBL16095
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][S][Ring1][#C]
|
CHEMBL16096
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][S][Ring1][N]
|
CHEMBL16384
|
[O][=C][NH1][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][O]
|
CHEMBL16118
|
[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][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL16119
|
[C][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][Ring1][O][C][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][C]
|
CHEMBL16120
|
[C][C][N][Branch1][P][C][C][#C][C][=C][C][=C][Branch1][Ring2][N][=N+1][=N-1][C][=C][Ring1][=Branch2][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]
|
CHEMBL16121
|
[C][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]
|
CHEMBL16122
|
[C][C][C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][N][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring1][P]
|
CHEMBL16322
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O]
|
CHEMBL16323
|
[Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][C][=N][N][=C][Branch2][Ring1][S][C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][Ring2][Ring2][Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL16324
|
[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]
|
CHEMBL16326
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][\O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16405
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][\O][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL15964
|
[C][C][C][C][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL15965
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][C][C][C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL15966
|
[O][=C][Branch1][=C][N][N][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Ring2][Br]
|
CHEMBL15967
|
[C][C][=N][NH1][C][=Ring1][Branch1]
|
CHEMBL16097
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1]
|
CHEMBL16098
|
[O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL16185
|
[C][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch1][=Branch1][C][O][C][C][O][C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL16186
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O]
|
CHEMBL16187
|
[C][O][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][=C][Ring2][Ring1][=Branch2]
|
CHEMBL3309321
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][#Branch1][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S]
|
CHEMBL16208
|
[C][N][C][C][S][C][Branch1][C][N][=C][C][=Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][P]
|
CHEMBL4543447
|
[C][C][S][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][=N][N][=C][NH1][Ring1][Branch1][C][C][Ring1][O]
|
CHEMBL4543448
|
[O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4543449
|
[C][O][C][=C][C][Branch2][Branch1][#Branch1][C@][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring1][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][O][C][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring2][Ring2][=Branch2]
|
CHEMBL4543450
|
[O][=C][Branch1][N][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][=C][O][C][Branch2][Ring1][=Branch2][C][C][N][C][C][C][=N][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][NH1][Ring1][O][=N][Ring2][Ring1][Branch1]
|
CHEMBL16212
|
[C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][Ring1][C][N][C][=C][C][=C][Ring1][Branch2][N][Ring1][=C]
|
CHEMBL16213
|
[C][C][C][C][C][C][C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][S]
|
CHEMBL3309369
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=N][O][N][=C][Ring1][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL16143
|
[O][=C][O][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL16144
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring2][Ring1][Ring1].[N][C][C][O]
|
CHEMBL16145
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][=N]
|
CHEMBL16232
|
[O][=C][C][=C][Branch2][Ring2][N][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring1][S]
|
CHEMBL15675
|
[C][N][C][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][=N][S][N][=C][Ring1][Branch1][S][C][Ring1][#Branch2]
|
CHEMBL15677
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
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