chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL12885
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O]
|
CHEMBL12910
|
[O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring2][=Branch1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL12911
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL12998
|
[C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL1163466
|
[C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL12999
|
[C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][O][C][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][C]
|
CHEMBL12846
|
[O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL12847
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][C][C][Branch1][=N][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][C][=C][Ring2][Ring1][O]
|
CHEMBL6993
|
[N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O]
|
CHEMBL12938
|
[C][S][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL524
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][C][Branch1][C][O][C][Branch1][C][C][N][=C][Ring1][=N]
|
CHEMBL12951
|
[C][C][Branch1][C][C][N][Branch2][Ring2][=C][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][C][C]
|
CHEMBL12952
|
[C][O][C][=C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL12953
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][Branch2]
|
CHEMBL12954
|
[N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N]
|
CHEMBL12955
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL12956
|
[O][=C][Branch1][C][O][C][C][C][=C][Branch1][C][Br][NH1][C][Branch2][#Branch1][C][C][C][NH1][C][Branch2][Branch1][#Branch1][C][C][NH1][C][Branch2][Ring1][N][C][C][NH1][C][Branch1][Ring1][C][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring1][O][C][C][C][=Branch1][C][=O][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring2][Ring2][=Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring2][Branch1][Branch1][C][C][=Branch1][C][=O][O]
|
CHEMBL12957
|
[N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL12887
|
[C][O][/N][=C][Branch2][Ring1][N][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][O][C@H1][Ring1][N][Ring1][=Branch2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
|
CHEMBL1163462
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]
|
CHEMBL12976
|
[C][C][Branch1][C][C][C][C][S][C][=C][C][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][P][Ring2][Ring1][=Branch1]
|
CHEMBL12977
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@H1][C][C@H1][Ring1][Ring1][C][C][Ring1][N][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
CHEMBL1163463
|
[C][C][Branch1][C][C][C@H1][Branch2][O][Ring1][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][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@@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][=Branch1][C][C][C][C][N][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][Ring2][#Branch1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12978
|
[O][=C][Branch1][=C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][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]
|
CHEMBL13000
|
[C][/C][=Branch2][Ring1][=Branch2][=C][\C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][=C][C][C][=Branch1][C][=O][N][O]
|
CHEMBL13001
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring1][S]
|
CHEMBL13084
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][C][N][=C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][O][=C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring1][P][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][=N][=O]
|
CHEMBL13085
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13086
|
[C][N][Branch1][C][C][C][C][C][=C][NH1][C][S][C][=C][C][Ring1][Branch2][=Ring1][Branch1]
|
CHEMBL13019
|
[C][C][Branch1][C][C][N][Branch2][Ring2][#Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C]
|
CHEMBL13020
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C][=Branch1][C][=O][C][C][C][C@][Ring1][N][Ring1][#Branch1][C]
|
CHEMBL13022
|
[C][/C][=Branch1][P][=C][\C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]
|
CHEMBL12756
|
[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][Ring1][=Branch1]
|
CHEMBL12757
|
[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][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]
|
CHEMBL13047
|
[C][C][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL13048
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][C][Ring1][=C][=C][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL13050
|
[O][=C][Branch1][=C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL13051
|
[O][=C][N][C][C][N][Ring1][Branch1][C][C][C][C][C][C][N][C][C][C][Branch2][Ring1][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL13062
|
[C][C][Branch1][C][C][N][Branch2][Ring2][=Branch1][C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][C][C]
|
CHEMBL13063
|
[C][C][=Branch1][C][=O][O].[N][C][Branch1][C][N][=N][C][C][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][S][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL13064
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2]
|
CHEMBL13065
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][N][/C][=Branch1][P][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][N]
|
CHEMBL13066
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][P][C][Branch1][C][C][C]
|
CHEMBL13067
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL13087
|
[C][P][=Branch1][C][=O][Branch1][C][O][C][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][#C][Ring1][Branch2]
|
CHEMBL12824
|
[N][C][C][C][C][C@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2]
|
CHEMBL12825
|
[C][=C][C][=C][Branch2][Ring2][Branch2][C][C][N][C][C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][N][=C][Ring2][Ring1][=C]
|
CHEMBL12826
|
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=N][S]
|
CHEMBL12759
|
[C][/N][=C][Branch1][C][\S][N][C][C][S][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL12760
|
[C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][/C][=C][/C][=Branch1][C][=O][N][O]
|
CHEMBL13179
|
[C][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O].[Cl]
|
CHEMBL12844
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O]
|
CHEMBL12778
|
[C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S]
|
CHEMBL12779
|
[C][C][C][C][=N][C][=C][Branch2][Ring2][N][N][Ring1][Branch1][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][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring1][P]
|
CHEMBL12780
|
[O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring1][O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL12781
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][=C][C][S][C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][Ring2][Ring1][S]
|
CHEMBL12801
|
[Cl][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
CHEMBL12802
|
[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][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]
|
CHEMBL12803
|
[C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@H1][C][C][Ring1][Ring1][C][C][Ring1][N][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
CHEMBL12804
|
[O][=P][Branch1][C][O][Branch1][C][O][C][C][=C][C][Branch1][C][F][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][=N][Ring1][Branch2]
|
CHEMBL4543218
|
[O][=C][Branch1][#C][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]
|
CHEMBL4543219
|
[C][C@][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][=C]
|
CHEMBL12805
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][C][C][Ring1][=C]
|
CHEMBL12827
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C]
|
CHEMBL12828
|
[C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring1][P][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][O]
|
CHEMBL12912
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL527
|
[C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2][=Branch1][C][=O][=O]
|
CHEMBL12914
|
[C][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL12936
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][N][C][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][F][C][=C][Ring1][=C][C][Ring2][Ring1][Ring2][=O].[C][S][=Branch1][C][=O][=Branch1][C][=O][O]
|
CHEMBL12937
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][S][C][C][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][=Branch1]
|
CHEMBL13018
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=N][N][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][Ring2][Ring1][P]
|
CHEMBL512
|
[C][N][/C][=Branch1][#Branch1][=C][\N+1][=Branch1][C][=O][O-1][N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2]
|
CHEMBL12864
|
[C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#C]
|
CHEMBL12866
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][N]
|
CHEMBL12867
|
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=Branch1][O][=C][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL98
|
[O][=C][Branch2][Ring1][Ring2][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][O]
|
CHEMBL12888
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][Ring2][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][Ring2][Ring1][C][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][=C][=O]
|
CHEMBL12889
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL12890
|
[C][N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P][/C][=C][/C][=Branch1][C][=O][N][O]
|
CHEMBL12892
|
[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL12915
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Branch2][C][C][C][C@@H1][Ring1][Ring2][N][C][=C][Ring1][=N][O][C]
|
CHEMBL12916
|
[C][C][=C][C][=C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][P]
|
CHEMBL12917
|
[C][C][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N+1][Ring1][=N][O-1]
|
CHEMBL13002
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S]
|
CHEMBL13003
|
[O][=S][=Branch1][C][=O][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL12668
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][C][C@][Ring1][=C][Ring1][=Branch2][C]
|
CHEMBL12670
|
[O][=C][Branch2][Ring2][N][C@@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2]
|
CHEMBL12671
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][Ring1][S][=O]
|
CHEMBL12672
|
[C][C][=Branch1][C][=O][O].[C][C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL12958
|
[O][=C][Branch1][=C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
|
CHEMBL12959
|
[C][C][C][C][/C][=C][Branch1][N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C]
|
CHEMBL12960
|
[C][C][Branch1][C][C][N][Branch2][Ring2][C][C][C][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][C][C]
|
CHEMBL12961
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL13111
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL12894
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P]
|
CHEMBL12982
|
[C][C][Branch1][C][C][N][Branch2][Ring1][S][C][C][C][Branch1][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
|
CHEMBL12983
|
[C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][N][O]
|
CHEMBL12984
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][Branch1][C][N][=O]
|
CHEMBL12985
|
[C][C][C][Branch2][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C][=C][N][Ring2][Ring1][N][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL12986
|
[C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][=Branch1][C][=O][N][O]
|
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