chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL12654
|
[C][C@H1][C][C][C][N][Branch2][Ring1][S][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL12689
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][S][C][S][C][Ring1][=Branch1]
|
CHEMBL12691
|
[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][=Branch1][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][N]
|
CHEMBL12692
|
[C][C][C][=C][C][=C][Branch2][Ring1][Branch1][/C][Branch1][C][C][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][C]
|
CHEMBL12406
|
[C][/C][=C][Branch1][N][\N][C][=Branch1][C][=O][C][C][C][C][C][#N][C][=Branch1][C][=O][O]
|
CHEMBL12407
|
[C][C][Branch1][C][C][Branch1][C][C][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]
|
CHEMBL12408
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][=C][=O]
|
CHEMBL12611
|
[C][/N][=C][Branch1][C][\S][N][C][C][S][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL13159
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL12704
|
[C][N][Branch1][C][C][C][C][C][=C][N][=C][NH1][Ring1][Branch1]
|
CHEMBL12705
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][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][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12706
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2]
|
CHEMBL12707
|
[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][Cl][O][C][Ring1][=C][=O]
|
CHEMBL12708
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][O][Ring2][Ring1][Branch1].[I-1]
|
CHEMBL12633
|
[C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL12635
|
[C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring2]
|
CHEMBL12636
|
[C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL12637
|
[C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C]
|
CHEMBL12726
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
CHEMBL12907
|
[C][C][Branch1][C][C][N][Branch2][Ring1][N][C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
|
CHEMBL12994
|
[C][C@@H1][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL12995
|
[O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL12996
|
[C][C][Branch1][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL1163465
|
[Br].[C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][C][O][=N][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][S]
|
CHEMBL12926
|
[C][C][C][=C][C][=Branch1][N][=N][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][P][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C]
|
CHEMBL12927
|
[C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=C][Ring1][S][/C][=C][/C][=Branch1][C][=O][N][O]
|
CHEMBL12931
|
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][N][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][C][Ring2][Ring1][Branch2]
|
CHEMBL12932
|
[O-1][N+1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL1163460
|
[C][C][Branch1][C][C][C@H1][Branch2][=Branch2][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch2][Ring1][=Branch2][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][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]
|
CHEMBL12946
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][#Branch2][C][N][C][C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1][C][=N][C][Ring2][Ring1][=C][=N][Ring2][Ring2][Ring1]
|
CHEMBL12947
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][#Branch1][=Branch2][/C][=C][\C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][/C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][/C][=C][/C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch1][S][\C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][=C][C][Ring2][Ring2][S][N][Ring1][Branch1][C][=C][Ring2][Branch1][#Branch1]
|
CHEMBL12948
|
[C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C]
|
CHEMBL12949
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C@H1][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]
|
CHEMBL12950
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][=C][=O]
|
CHEMBL518
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL12880
|
[C][C][Branch1][C][C][N][Branch2][Ring1][P][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][F][C][Branch1][C][C][C]
|
CHEMBL12969
|
[C][C][C][C][C][C][C][Branch1][Branch1][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]
|
CHEMBL12970
|
[C][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]
|
CHEMBL12971
|
[C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][C][Ring1][#C][C][C@@H1][Ring2][Ring1][=C][Ring2][Ring1][Branch1]
|
CHEMBL12997
|
[C][/N][=C][/C][=C][Branch1][C][O][O][C@H1][Branch1][Ring2][C][O][C][C@@][Branch1][C][C][C][Ring1][O][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#C][Ring1][#Branch1]
|
CHEMBL13079
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][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]
|
CHEMBL13080
|
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL13081
|
[C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N]
|
CHEMBL13014
|
[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][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][C][C]
|
CHEMBL13015
|
[O][=C][Branch2][Ring2][O][N][C@@H1][Branch2][Ring1][P][C][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][=Branch1][C][=O][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13016
|
[C][C][Branch1][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][F][N][=O][C][C][Ring1][S]
|
CHEMBL13017
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][S]
|
CHEMBL13039
|
[O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][Ring2][Ring1][Branch1]
|
CHEMBL13041
|
[O][=C][Branch1][C][O][C][=C][N][C][Branch2][Ring1][#Branch2][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][P][=N][Ring2][Ring1][Ring2]
|
CHEMBL13042
|
[C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]
|
CHEMBL13043
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL13044
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][C][C][=Branch1][C][=O][O][C@@H1][Ring1][=Branch1][C][O]
|
CHEMBL13045
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=N+1][Branch1][C][C][C][=C][C][=C][C][=Branch1][N][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring1][#Branch2][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL12772
|
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C]
|
CHEMBL12773
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@H1][Branch2][Ring2][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][N].[Cl-1]
|
CHEMBL12972
|
[O][=C][Branch1][C][O][C][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=Ring1][=N][Br]
|
CHEMBL4543298
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1]
|
CHEMBL4543299
|
[C][C][=Branch1][C][=N][N][C][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][Ring1][=C][C][Ring2][Ring1][Ring2]
|
CHEMBL12973
|
[O][C][C][=C][N][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N]
|
CHEMBL13057
|
[O][=C][Branch1][C][O][C][C][N][C][C][N][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][C][Ring2][Ring1][Branch2]
|
CHEMBL13058
|
[C][C][=Branch1][C][=O][N][C][Branch1][O][/C][=C][/S][Branch1][C][C][=Branch1][C][=O][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13059
|
[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][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL13082
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][C]
|
CHEMBL13083
|
[C][C][C][C][C][=C][Branch1][C][O][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][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][O][=O]
|
CHEMBL12818
|
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][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][C][=O]
|
CHEMBL540
|
[C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12819
|
[C][C][Branch1][C][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][F][N][=O][C][C][Ring1][#C]
|
CHEMBL12820
|
[O][C][=N][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][N][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL13103
|
[C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][Ring1][N][=C][Ring1][S]
|
CHEMBL13105
|
[C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@][Branch1][C][O][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C@][Branch1][C][C][Branch1][C][O][C][Ring1][#C][C][C@@H1][Ring2][Ring1][=C][Ring2][Ring1][Branch1]
|
CHEMBL13107
|
[C][C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][Branch1][C][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]
|
CHEMBL13110
|
[C][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]
|
CHEMBL12840
|
[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][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][C][C]
|
CHEMBL12774
|
[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][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C]
|
CHEMBL12775
|
[C][C][C][C][C][C][N][Ring1][=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][C][=C][Ring1][=Branch1][F]
|
CHEMBL12776
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][=N][/C][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][#C]
|
CHEMBL12777
|
[C][C][C][C][N][Branch2][Ring1][S][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL13060
|
[C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL12796
|
[C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][P][C][C][/C][=N][/C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][N][=O][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL12797
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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]
|
CHEMBL12798
|
[C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][C@H1][Ring1][=C][Ring2][Ring1][Ring1]
|
CHEMBL12799
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@][Ring1][#Branch1][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][O]
|
CHEMBL12822
|
[O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL12823
|
[C][C][Branch1][C][C][N][Branch2][Ring1][S][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][=C][Ring1][=Branch1][Br][C][Branch1][C][C][C]
|
CHEMBL12908
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#C][C][C][C][C][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL12909
|
[C][C][C][C][C][N][=C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][N][Branch1][Branch1][C][C][C][C][N][=Ring2][Ring1][O]
|
CHEMBL12841
|
[O][=C][C][C][=C][N][Branch2][Ring1][=N][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][C][=Ring2][Ring1][Branch1]
|
CHEMBL12842
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][Branch1][Ring2][C][C][Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C]
|
CHEMBL12843
|
[O][C][C][N][C][C][N][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]
|
CHEMBL516
|
[C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL12933
|
[O][=S][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring1][=N][C][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL12859
|
[C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL12860
|
[C][C][Branch1][C][C][N][Branch2][Ring1][#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][=C][Ring1][=Branch1][C][Branch1][C][C][C]
|
CHEMBL12861
|
[C][O][C][=C][C][Branch1][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][C][C][C][Ring1][=Branch1]
|
CHEMBL12862
|
[C][C][C][C][/N][=C][Branch1][C][/C][N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P]
|
CHEMBL12863
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][O][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]
|
CHEMBL12881
|
[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][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]
|
CHEMBL12882
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][O][Ring2][Ring1][Branch1].[Cl-1]
|
CHEMBL12883
|
[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][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]
|
CHEMBL12884
|
[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][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][Ring1][S][=O]
|
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