chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL17877
|
[C][C][C][C][=N][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][Ring2][C][C][C][=N][N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL17878
|
[C][C][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
|
CHEMBL17880
|
[O][=S][N][C][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][O][Ring1][S]
|
CHEMBL3310074
|
[C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][Ring1][=Branch2][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@@H1][Branch1][C][N][C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][Ring1][=Branch2]
|
CHEMBL18092
|
[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-1][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL18093
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL18180
|
[C][C][C][O][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][N][=N][C][Ring1][#Branch1][C]
|
CHEMBL18182
|
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][NH1][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL17825
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2]
|
CHEMBL17565
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL17566
|
[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][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL17567
|
[C][/C][=C][\C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL17568
|
[O][=C][Branch2][Ring1][#Branch2][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL17850
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL17852
|
[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][C][C][O][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][Ring1][O]
|
CHEMBL17854
|
[O][=S][N][C][Branch1][#C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][O][Ring1][#C]
|
CHEMBL17855
|
[C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL17856
|
[C][N][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1][=N][Ring2][Ring1][C]
|
CHEMBL17967
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][N][C][C][=C][C][=C][O][Ring1][Branch1].[Na+1]
|
CHEMBL17968
|
[C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL17969
|
[C][C][C][C@@H1][C@H1][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][S][Ring2][Ring2][Branch1][=Branch1][C][=O][=O]
|
CHEMBL17970
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][O][O][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][N][C][Ring1][=Branch1][=O][=C][Ring2][Ring2][=N]
|
CHEMBL17973
|
[C][=C][C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][#Branch2][=C][Ring2][Ring1][O]
|
CHEMBL17974
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][=C][N][Branch1][=Branch1][C][O][C][C][O][C][=Branch1][C][=O][NH1][C][Ring1][N][=O][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O]
|
CHEMBL17903
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1]
|
CHEMBL18641
|
[C][C@H1][Branch1][C][N][C@@H1][Branch1][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL19500
|
[N][C][C@H1][O][C@@H1][Branch2][Branch1][Ring2][O][C@@H1][Branch2][Ring1][#Branch1][C][N][C][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C@@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][Ring1][=C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Ring2][O].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17994
|
[F][C][=C][C][=C][Branch2][Ring2][C][C][NH1][C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=N][C][=Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL17995
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][=Branch2][C][NH1][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=N][C][=Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL17650
|
[O][=S][=Branch1][C][=O][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]
|
CHEMBL17652
|
[C][C][N][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][N][O][C][C][=C][C][=C][Branch1][S][C][N+1][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][C][=C][Ring1][#C][=C][Ring2][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring2][Branch1][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2].[Cl-1]
|
CHEMBL17653
|
[O][=C][O][C@@H1][Branch1][Ring1][C][O][C][N][Ring1][#Branch1][N][C][=C][C][=C][Ring1][Branch1]
|
CHEMBL17655
|
[C][C][S][C][C][C][N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL17656
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]
|
CHEMBL17657
|
[C][C][=N][NH1][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1][=N][Ring2][Ring1][C]
|
CHEMBL4543367
|
[C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL3310147
|
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=Ring1][=N][C][=C][C][=N][C][=N][Ring1][=Branch1]
|
CHEMBL17943
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL17944
|
[C][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring1][P]
|
CHEMBL17945
|
[C][=C][C][=C][S][C][Branch2][Ring1][Ring2][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][C][C][Ring1][=N][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL17946
|
[C][C][C][C][C][C][C][N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL17947
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][C][=C][C][=C][C][Branch1][S][O][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4543402
|
[N][C][=Branch1][C][=O][C][Branch1][#Branch2][S][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18062
|
[C][C][C][N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL18063
|
[C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[K+1]
|
CHEMBL18064
|
[N][C][C][=C][C][=C][S][Ring1][Branch1].[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P][Cl]
|
CHEMBL18065
|
[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL18066
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][N][C][Ring1][=Branch1][=O]
|
CHEMBL18067
|
[C][C][Branch1][C][C][C@@H1][C@H1][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][S][Ring2][Ring2][Branch1][=Branch1][C][=O][=O]
|
CHEMBL18068
|
[C][C@H1][C@@H1][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][S][Ring2][Ring2][Branch1][=Branch1][C][=O][=O]
|
CHEMBL4543412
|
[O][=C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][Branch1]
|
CHEMBL4543413
|
[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][=Branch1][Ring1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch2][Ring2][N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C][=C][Ring1][N][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1][F][C][Branch1][C][F][=C][Ring2][Ring1][S][F][=C][Ring2][Ring2][Branch2]
|
CHEMBL4543414
|
[C][C][=C][C][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][O][=N][NH1][Ring2][Ring1][S]
|
CHEMBL18069
|
[C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL18070
|
[C][N][C][C][N][Branch2][Branch1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][=Branch2]
|
CHEMBL17996
|
[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL17997
|
[C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][O][C][C][Branch2][Ring1][=N][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][=C][C][=C][C][Branch1][=Branch2][C][N+1][C][=C][S][C][=Ring1][Branch1][=C][Ring1][N][O][C][=C][Ring2][Ring1][=N]
|
CHEMBL17998
|
[C][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring1][=Branch1][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]
|
CHEMBL18089
|
[C][C][Branch1][C][C][O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18090
|
[C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][S][S][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL3310143
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL17741
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=C][N][Branch1][#C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][S][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL17742
|
[C][C][O][C][C][N][C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL17743
|
[C][C][O][C][C][N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1]
|
CHEMBL17744
|
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][Branch1][Ring1][S][C][N][Branch1][C][C][C][=Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL17745
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2]
|
CHEMBL18037
|
[O][=C][Branch1][C][O][C@@H1][C][C][=C][C][C@@H1][Ring1][=Branch1][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL18038
|
[O][=C][Branch2][Ring1][#Branch2][C][C][C][C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL18039
|
[C][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL18040
|
[C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18041
|
[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
CHEMBL18156
|
[C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL18157
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18158
|
[C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][O][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][=C][N][Ring1][N][C][C@@H1][C@H1][Ring1][Branch1][N][Ring1][Ring1][C]
|
CHEMBL3310106
|
[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
CHEMBL18178
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][O]
|
CHEMBL18179
|
[C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][Branch1][C][C][N][=N][Ring1][#C]
|
CHEMBL17899
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][Branch1][#C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17901
|
[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][#C][C][=C][N][=C][S][Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][=Branch1]
|
CHEMBL17902
|
[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Ring2]
|
CHEMBL17826
|
[O][=S][N][C][Branch1][=C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][=N][O][Ring1][=C]
|
CHEMBL17828
|
[N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][Branch2][Branch1][Ring2][C][=C][C][C][Branch2][Ring2][Branch2][N][C][C][C][C][C][N][C][C][C][=C][Branch2][Ring1][Branch1][C][=C][NH1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][N][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#C][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2]
|
CHEMBL17831
|
[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@@H1][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][Ring2][Ring1][P].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17832
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=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][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL18140
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][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]
|
CHEMBL18142
|
[C][O][C][=C][C][=C][Branch2][Ring2][S][C][N][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][N][S][C][=Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][P]
|
CHEMBL18143
|
[C][C][C][C][C][=Branch1][C][=O][O][C][C][C][N][C][Ring1][Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][N][=N]
|
CHEMBL17881
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][Ring1][O]
|
CHEMBL17883
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][N][O]
|
CHEMBL17884
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@][C][C][C][C][C@H1][Ring1][=Branch1][C@@H1][Branch1][Ring2][C][Ring1][O][N][Branch1][C][C][C][C][Ring1][N]
|
CHEMBL17885
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][Branch2][N][C][C][C][Branch1][C][O][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C@H1][Ring2][Ring1][=Branch1][O]
|
CHEMBL17548
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL17549
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][C][Branch2][Ring1][Branch2][C][Branch1][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL17550
|
[C][N][C][C][C][=C][C][=C][Branch1][C][O][C][N][=C][Branch1][C][O][S][C][Ring1][O][=Ring1][=Branch1]
|
CHEMBL17551
|
[N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
CHEMBL17552
|
[C][N][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C@H1][C][C@H1][Branch2][Ring1][#C][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C@H1][Ring1][Branch2][C@H1][Ring1][=C][C][C][N][Ring2][Ring1][Branch1][S][Ring2][Ring1][#Branch2]
|
CHEMBL17569
|
[C][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][=Branch1][=O]
|
CHEMBL17570
|
[C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17571
|
[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][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch1]
|
CHEMBL17857
|
[C][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C][Branch1][C][O][C][Ring2][Ring1][Branch2][O]
|
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