chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL18693
|
[C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][Branch1][C][C][C]
|
CHEMBL18777
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N]
|
CHEMBL18778
|
[C][O][C][=C][C][Branch2][Ring2][#Branch2][C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][S][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Branch2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#C][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL18528
|
[C][C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][Branch1]
|
CHEMBL18529
|
[C][=C][C][=C][Branch2][Ring1][Ring2][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL18530
|
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][C@H1][Branch1][Branch1][C][Ring2][Ring1][#Branch1][C@@H1][Ring2][Ring1][C][C][O]
|
CHEMBL18272
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring1][#Branch2]
|
CHEMBL18273
|
[C][=C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][O][C][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C][C][=C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]
|
CHEMBL18550
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL18551
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][Ring2][Ring1][=Branch1]
|
CHEMBL18552
|
[C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring1][=N]
|
CHEMBL4434960
|
[C][C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=N][C][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]
|
CHEMBL4434961
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][O][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][S][=Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL4434962
|
[C][O][C][=C][C][=C][NH1][C][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C@@H1][Branch1][#C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Branch2][C][Ring2][Ring1][N][=C][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1]
|
CHEMBL4434963
|
[C][S][C][C][C@H1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][O][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][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@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=N][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][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O]
|
CHEMBL4434964
|
[C][O][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL18553
|
[O-1][S+1][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL18554
|
[N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL18294
|
[C][C][C][C][C][C][C][Branch1][Ring1][C][#N][O][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18755
|
[C][C][C][N][Ring1][Ring1][C][C][Branch1][C][O][C][C][C][C][Ring1][Ring1][C][O][C][Branch1][Ring1][C][O][C][O]
|
CHEMBL18757
|
[C][O][C@H1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][C][C][C][Cl][C][Branch1][C][O][C@H1][Branch2][Ring2][N][O][C][C][C][C@@H1][C@H1][Branch1][C][C][C][C][C@H1][Ring1][=Branch1][C][Branch1][Ring1][C][=O][C][C][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][Ring1][O][C][=Branch1][C][=O][O][O][C@@H1][Ring2][Ring2][#Branch1][C]
|
CHEMBL4434677
|
[C][C][C][C][C][C][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C@H1][Branch1][C][O][C][C@][Ring1][#Branch1][Branch1][C][C][O][C@][Branch1][C][C][Branch1][C][O][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL18758
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=C]
|
CHEMBL18759
|
[C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL18760
|
[C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][O][C][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL18848
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL18779
|
[O][=C][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][C][N][Ring2][Ring1][Branch1][Ring1][Branch1]
|
CHEMBL18780
|
[C][C][C][Branch1][C][Cl][C][C]
|
CHEMBL18782
|
[C][N][C][=N][C][=C][Branch2][Ring1][Branch1][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=N]
|
CHEMBL18867
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][O][O][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18868
|
[C][C][#C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL18869
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][O][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=N][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
CHEMBL18275
|
[C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][O][C][C][C][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18276
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL18277
|
[C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][C][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][=C][Ring1][S][O][C][Ring2][Ring1][N][=C][Ring2][Ring2][Branch1]
|
CHEMBL18278
|
[C][C][C][Branch1][C][C][C][Branch1][C][C][C][=O]
|
CHEMBL18279
|
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][NH1][C][=Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL18360
|
[C][C][Branch1][C][C][C][C][=O]
|
CHEMBL18361
|
[C][C][C][C][=C][C][=C][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][P].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4434699
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=N][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][Cl]
|
CHEMBL4434700
|
[C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][N][C][C][=C][C][=C][C][Branch1][=Branch1][C][N][C][C][O][=C][N][Ring1][O][N][=Ring1][=C]
|
CHEMBL4434701
|
[C][O][C][=C][C][Branch2][Ring2][=C][/C][=C][/C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][C][C][C][C][C][C][O][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][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C]
|
CHEMBL18362
|
[C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][=O]
|
CHEMBL18363
|
[C][C][C][C][C][Branch1][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18295
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][S][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18297
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18298
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1]
|
CHEMBL18299
|
[C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18850
|
[O][=C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL18851
|
[2H][C][Branch1][C][2H][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][N]
|
CHEMBL18852
|
[C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][Ring2][Ring1][Ring2][C]
|
CHEMBL18853
|
[C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C]
|
CHEMBL18854
|
[C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O]
|
CHEMBL4434733
|
[C][C][C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C]
|
CHEMBL4434734
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][=N][P][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][N][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][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@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL4434735
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][C][C][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S]
|
CHEMBL4434736
|
[C][O][C][C@@H1][N][C][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][C][C][C][O][C][C@@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][C][O][Ring1][Ring2][N][C][Ring2][Ring2][=Branch1][=O]
|
CHEMBL18576
|
[C][C][C][C][C][C][Branch1][C][O][C][N]
|
CHEMBL18870
|
[N][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C]
|
CHEMBL18871
|
[C][C][Branch1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL18872
|
[C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][N][=O]
|
CHEMBL18600
|
[C][O][C][=C][C][Branch2][Ring1][=C][O][C][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring2][Ring1][#C]
|
CHEMBL18601
|
[C][S+1][Branch1][C][O-1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1]
|
CHEMBL18602
|
[C][C][C][C][C][=O]
|
CHEMBL18603
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][Ring1][#Branch2][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@@H1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2]
|
CHEMBL18364
|
[C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL4434764
|
[C][#C][C][N][Branch1][C][C][C][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1]
|
CHEMBL18365
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][I][NH1][C][=Ring1][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][N]
|
CHEMBL18447
|
[F][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18448
|
[C][C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][O][Ring1][=Branch2]
|
CHEMBL600
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O]
|
CHEMBL18382
|
[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][Ring2][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1]
|
CHEMBL18383
|
[F][C][Branch1][C][Br][C][Branch1][C][F][Branch1][C][F][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL18384
|
[C][C][C][C][C][C][C][C][Branch1][C][O][C][N]
|
CHEMBL18385
|
[C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][C][C][C][N][C][C][C][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL18386
|
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][C@H1][Branch1][Branch1][C][Ring2][Ring1][#Branch1][C@@H1][Ring2][Ring1][C][C]
|
CHEMBL18577
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][=C][Branch1][#C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=N]
|
CHEMBL18578
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][O][C@H1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18579
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][Branch2][Ring1][N][C][=C][C][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1]
|
CHEMBL18580
|
[C][N][C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
CHEMBL18582
|
[C][C][C][C][C][C][C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18604
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][O][C][Branch1][Ring1][C][O][C][O][C][=C][Ring1][=C][C][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL18605
|
[C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[N]
|
CHEMBL18606
|
[C][C][C][C][C][=N][N][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18607
|
[O][=C][C][C][C][C][C][C][Ring1][#Branch1]
|
CHEMBL18694
|
[C][C][C][C][=C][C][Branch1][C][Cl][=C][O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][C][C][Ring1][=C][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL18695
|
[C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18449
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][S][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18450
|
[C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring2][Ring1][O]
|
CHEMBL18451
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][NH1][C][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
CHEMBL18531
|
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch1]
|
CHEMBL18532
|
[C][C][=Branch1][C][=O][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][C][C][#N]
|
CHEMBL18533
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Branch1][C][C][=N][O][C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL19068
|
[O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL18470
|
[C][C][Branch1][C][C][O][C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][Ring1][S][=O]
|
CHEMBL18471
|
[O][=C][Branch1][C][O][C][C][C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL18472
|
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][C][Ring1][S][C][C][O][C][Ring2][Ring1][#Branch2][C][Ring1][Branch1][Ring1][=Branch1]
|
CHEMBL18473
|
[C][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring2][Ring1][C]
|
CHEMBL18672
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][#C]
|
CHEMBL18673
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=N][Ring1][=N]
|
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