chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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|---|---|
CHEMBL6211
|
[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]
|
CHEMBL6212
|
[C][=C][C][=C][Branch2][Branch1][=Branch2][C][N+1][=C][C][=C][Branch2][Ring2][=Branch1][N][C][C][C][C][C][C][C][C][C][C][N][C][=C][C][=N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=C]
|
CHEMBL6214
|
[C][S][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL3309665
|
[O][=C][Branch1][C][O][C][C][C@H1][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch2][=Branch1][Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL6791
|
[N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][=C][Ring1][S][Cl]
|
CHEMBL6792
|
[C][#C][C][N][C][=C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][C][=C][Ring1][P][=C][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL6938
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][C][C][Ring1][P]
|
CHEMBL6939
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][N]
|
CHEMBL22
|
[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]
|
CHEMBL6940
|
[N][C][=N][C][Branch1][C][N][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1]
|
CHEMBL3309767
|
[O][=C][Branch1][C][O][/C][Branch1][C][O][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL6258
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][N][=C][C][S][C][Branch1][Ring2][/C][=N][/O][=C][C][Ring1][N][=Ring1][Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL6259
|
[C][N][C][C][N][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][N]
|
CHEMBL404
|
[C][C@][Branch1][=Branch2][C][N][C][=C][N][=N][Ring1][Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C@H1][Ring1][Branch1][S][Ring1][P][=Branch1][C][=O][=O]
|
CHEMBL9
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][Branch1]
|
CHEMBL6261
|
[C][C][Branch1][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][C][C][=C][N][Branch1][=Branch2][C][C][C][C][C][N][Ring1][Branch1][N][=N][Ring1][O][C@H1][Ring1][P][S][Ring2][Ring1][Branch2][=Branch1][C][=O][=O]
|
CHEMBL3309871
|
[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][C][=C][Ring1][=Branch1][O][C]
|
CHEMBL3309881
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL6564
|
[C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][Branch1][#Branch1][C][O][C][C][C][O][C][C][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2][=Ring1][#Branch1]
|
CHEMBL6565
|
[C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL6566
|
[C][C][=N][C][Branch2][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#Branch1][Br]
|
CHEMBL6282
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][=Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][#Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=C][=C][Ring2][Ring1][Ring1][F][C][Ring2][Ring1][=Branch2]
|
CHEMBL6283
|
[C][=C][N][=C][C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Ring2]
|
CHEMBL3309544
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][O][Ring2][Ring1][Ring1]
|
CHEMBL6215
|
[C][C][C][=C][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][S][Ring1][#Branch2]
|
CHEMBL6216
|
[C][C][C][C][C@@H1][Branch2][Branch1][Branch2][C][C@@H1][Branch2][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL6304
|
[F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][N][Ring1][O][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL6305
|
[C][N][C][=Branch1][C][=N][N][C][C][C][C][Branch1][C][N][PH1][=Branch1][C][=O][O]
|
CHEMBL2
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C]
|
CHEMBL6306
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][=C][/C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=N][Ring1][#C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL6307
|
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][Ring1][O]
|
CHEMBL3309667
|
[O][=C][Branch1][C][O][C][C][C@H1][Branch2][Branch2][Branch2][N][C][=Branch1][C][=O][N][C@@H1][Branch2][#Branch1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@H1][S][C][C@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL6941
|
[N][C][=N][C][Branch1][C][S][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL6942
|
[C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][C][C][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring2][Ring1][=C][Ring1][Branch2]
|
CHEMBL6617
|
[C][C][/C][=Branch2][Ring2][Branch1][=C][Branch1][N][\C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL6618
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][C][Ring1][P][=N][Ring2][Ring1][=Branch1]
|
CHEMBL6619
|
[O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][=Branch2][=C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL6620
|
[C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][C][C][Branch1][C][C][N]
|
CHEMBL3309775
|
[O][=C][Branch1][C][O][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL6347
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][/C][=C][/C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=N][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL6348
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][P][=N][C][Branch1][C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL6349
|
[O][=C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL6350
|
[C][C][C][C][C][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]
|
CHEMBL6352
|
[C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl]
|
CHEMBL6443
|
[C][N][/C][=Branch1][#Branch1][=C][\N+1][=Branch1][C][=O][O-1][N][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]
|
CHEMBL6284
|
[C][=C][C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][Ring1][=N][=C][C][=N][Ring2][Ring1][Ring2]
|
CHEMBL6285
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2].[Cl]
|
CHEMBL6286
|
[C][C][Branch1][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][/C][=C][/C][=O][C@H1][Ring1][#Branch2][S][Ring1][P][=Branch1][C][=O][=O]
|
CHEMBL6287
|
[C][C][N][C][C][C][C][N][Branch2][Ring1][S][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][C][C][C][Ring1][O][=C][Ring1][S][F][C][Ring2][Ring1][=Branch1]
|
CHEMBL6371
|
[C][C][=C][C][=C][Branch2][Ring1][=N][S][C][=C][N][=C][C][S][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][P][=Ring1][=N][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL6373
|
[Br].[O][C][=N][O][C][=C][Ring1][Branch1][C][N][C][C][Ring1][=Branch1]
|
CHEMBL3309555
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][=N][Ring2][Ring1][=N]
|
CHEMBL6308
|
[C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C]
|
CHEMBL6399
|
[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S]
|
CHEMBL6400
|
[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][P]
|
CHEMBL6401
|
[N][C][Branch1][C][N][=N][C][C][C][C][Branch1][C][N][PH1][=Branch1][C][=O][O]
|
CHEMBL6402
|
[C][C][O][C][Branch2][Branch1][Branch1][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring2][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][Branch1][C][C][C@@H1][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][Branch1][C][O][C][C][Ring1][P][Ring1][=N][O][C][Ring2][Ring1][O][C][C][Branch1][C][O][C][Ring2][Ring2][Ring1][O]
|
CHEMBL3309669
|
[O][=C][Branch1][C][O][C][C][C@H1][Branch2][Branch2][Branch2][N][C][=Branch1][C][=O][N][C@@H1][Branch2][#Branch1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL3309670
|
[C][C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3309671
|
[O][=C][Branch1][C][O][C][C][C@H1][Branch2][Branch2][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][#Branch1][Ring1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL6887
|
[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][N][=C][N][=C][Ring1][#Branch2][Ring1][=N]
|
CHEMBL6888
|
[Cl][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL6889
|
[C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL6623
|
[Cl][C][=C][C][=C][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][Branch1][C][=N][Ring1][=N]
|
CHEMBL6624
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][N][=N][Ring2][Ring1][#Branch1]
|
CHEMBL6625
|
[N][#C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][S][C][=C][Ring2][Ring1][C][C][C][C][Ring1][Branch1]
|
CHEMBL6626
|
[Br][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][=C][Ring1][Branch2]
|
CHEMBL3309779
|
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][Ring1][=C][=O]
|
CHEMBL6444
|
[C][C][C][=C][Branch2][Ring1][=Branch2][C][C][C][C][C][O][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][O][Ring1][Branch1][C][=C][Ring1][O][Cl][O][N][=Ring2][Ring1][#Branch1]
|
CHEMBL6445
|
[C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL6446
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL6447
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][C][Ring1][=N][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C]
|
CHEMBL3309888
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL6374
|
[C][N][C][C][N+1][Branch1][C][C][Branch2][Ring1][O][C][C][C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2].[Br-1]
|
CHEMBL6375
|
[C][/C][=C][/C][O][C][=N][O][C][=C][Ring1][Branch1][C][N][C][C][Ring1][=Branch1].[Cl]
|
CHEMBL6376
|
[C][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][O][C][O][Ring1][O]
|
CHEMBL6377
|
[C][C][Branch1][C][C][C][O][C][=N][O][C][=C][Ring1][Branch1][C][N][C][C][Ring1][=Branch1].[Cl]
|
CHEMBL6378
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O]
|
CHEMBL6468
|
[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S]
|
CHEMBL6469
|
[C][C@][Branch1][Branch1][/C][=C][\C][#N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][C@H1][Ring1][#Branch1][S][Ring1][P][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL3309561
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][N][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#C]
|
CHEMBL6403
|
[C][C][C@][Branch1][C][F][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][C][=Branch1][N][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][#C][O][C][O][Ring1][#Branch2]
|
CHEMBL6490
|
[C][C][C][Branch2][Ring1][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2][C][Branch1][Ring1][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2]
|
CHEMBL6491
|
[C][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL6492
|
[O][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]
|
CHEMBL6493
|
[O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2]
|
CHEMBL3309673
|
[O][=C][Branch1][C][O][C][C][C@H1][Branch2][Branch2][#Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch2][#Branch1][Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL3309676
|
[C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL6708
|
[N][C][=N][C][Branch1][C][N][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][=C][C][Ring1][Branch2][=N][Ring1][=N]
|
CHEMBL6793
|
[C][N][C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][=O]
|
CHEMBL6794
|
[C][=C][C][C@@H1][Ring1][Ring1][C][C][Branch1][C][N][=O]
|
CHEMBL6795
|
[C][C][Branch1][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL6796
|
[O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2]
|
CHEMBL3309782
|
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][=C][=O]
|
CHEMBL6542
|
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][Ring1][P][S][Ring2][Ring1][Ring2]
|
CHEMBL6543
|
[C][C][C][=N][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2]
|
CHEMBL6544
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch1][S][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][C][Ring1][#C][=N][Ring2][Ring1][Ring2]
|
CHEMBL6545
|
[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][O][C][C][O][Ring1][Branch1]
|
CHEMBL6546
|
[O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][O][C][C][O][Ring1][Branch1]
|
CHEMBL3309897
|
[C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C]
|
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