chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL18674
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][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][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18675
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#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][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18676
|
[O][=C][N][=C][Branch2][Ring1][N][/N][=C][/N][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][N][Ring2][Ring1][#Branch1][C][C][S][C][Branch1][Ring1][C][O][O][Ring1][#Branch1]
|
CHEMBL18696
|
[N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL605
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1].[Cl]
|
CHEMBL18698
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][N][Ring1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL18783
|
[C][=C][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][=C][NH1][C][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=C][Ring1][=C][Ring1][O][=C][Branch1][Ring1][O][C][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL18784
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][O][C][C][Branch1][C][O][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
|
CHEMBL18534
|
[F][C][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]
|
CHEMBL18535
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][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]
|
CHEMBL18536
|
[C][C][O][C][C][=C][C][Branch1][C][Cl][=C][O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][C][Ring1][#C][=C][Ring2][Ring1][Ring2][O]
|
CHEMBL18280
|
[C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18281
|
[C][O][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][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][=C][Ring2][Ring1][C]
|
CHEMBL18474
|
[C][C][C][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][N][C][=Branch1][O][=N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][Branch2][N][Branch1][C][C][C][Ring1][=C][=O]
|
CHEMBL18475
|
[O][=C][C][C][C][C][Ring1][Ring2]
|
CHEMBL18476
|
[C][C@H1][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL18212
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring2][Branch2][C][=C][C][N][Branch2][Ring1][N][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][#Branch1][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL18213
|
[O-1][S+1][Branch2][Ring2][Ring1][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][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
|
CHEMBL18214
|
[C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18215
|
[C][N][C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][C][=C][C][=C][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
CHEMBL18761
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][Branch1][N][C][=N][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][S][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18762
|
[C][C][C][N][C][Branch1][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch2][O][C]
|
CHEMBL18763
|
[C][C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][C][=Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18764
|
[C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][Branch1][C][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]
|
CHEMBL18765
|
[O][=C][Branch1][C][O-1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1].[Na+1]
|
CHEMBL18785
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][=Branch2][C][=C][C][N][C][C][Ring1][=Branch1][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL18786
|
[C][N][Branch1][C][C][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18787
|
[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][C][Branch1][C][O][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18873
|
[C][C][=C][N][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][N][C][=N][Ring1][#Branch1]
|
CHEMBL18874
|
[N][C][=C][C][=C][C][=C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][Ring1][O][=N][Ring1][#C]
|
CHEMBL18875
|
[N][C][C][C][=C][NH1][C][=N][Ring1][Branch1].[N][C@@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL18282
|
[C][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][C][=Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][C][O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4434857
|
[C][C][C][C][C][C@H1][Branch1][C][O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][/C][=C][/C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
|
CHEMBL4434858
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C@H1][Ring2][Ring1][=Branch1][S][C][Ring2][Ring1][=N]
|
CHEMBL4434859
|
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][C][N][C@@H1][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][Ring1][#Branch2][N][=N][Ring1][P]
|
CHEMBL4434860
|
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][=N][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][N][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][S][Ring2][Ring1][S]
|
CHEMBL4434861
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][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][C][=N][N][Ring1][P][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4434862
|
[O][=C][Branch1][C][O][C@H1][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C@@H1][Ring1][Branch2][N][C][=N][C][Branch1][P][C][=N][NH1][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][C][=C][S][C][Ring2][Ring1][Ring1][=Ring1][Branch1]
|
CHEMBL4434863
|
[O][/N][=C][\C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL4434864
|
[C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][=Branch2][Ring1][Ring2]
|
CHEMBL4434865
|
[C][=C][C][=C][Branch2][Ring1][S][C][C][=C][N][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL18283
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][O][C][C][Branch1][C][O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
|
CHEMBL18284
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][S][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O]
|
CHEMBL18367
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][N]
|
CHEMBL18368
|
[C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][O][C][C@@H1][C@H1][Ring1][N][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][O][C][Branch1][C][C][=O][O][C][O][Ring1][=C]
|
CHEMBL18216
|
[C][O][C][=C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring1][P][O][C]
|
CHEMBL18300
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=Ring1][O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][=C]
|
CHEMBL18301
|
[C][C][C][C][O][C][=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]
|
CHEMBL4434909
|
[O][=C][O][C][C][C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4434910
|
[O][=C][Branch2][Ring2][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][Ring2][Ring1][#Branch1][N][C][C][O][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4434911
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Branch2][Ring1][Ring1][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
CHEMBL4434912
|
[C][C@][Branch1][C][O][Branch2][Ring1][S][C][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][P][C][=C][NH1][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch2][Ring1][#Branch1][=C][Ring1][P][C][=N][C][=C][S][Ring1][Branch1]
|
CHEMBL4434913
|
[C][C][C][C][C][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][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][O][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch1][C][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][#Branch2][C][C][=C][C][=C][C][=C][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][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL4434914
|
[C][C][=C][C][=C][Branch2][Ring2][N][P][=Branch1][C][=O][Branch2][Ring1][O][N][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][N][C][=Branch1][C][=O][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][P]
|
CHEMBL4434915
|
[O][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring1][C][N][Ring2][Ring1][=Branch1][C][Branch1][Ring1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL4434916
|
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
CHEMBL4434917
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][O][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][O][C][C][O][C][C][O][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][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][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][N][=O]
|
CHEMBL4434918
|
[N][#C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4434919
|
[C][O][C][=C][C][=C][Branch2][Branch1][O][C][=Branch1][C][=O][C][N+1][=C][Branch1][C][C][N][Branch2][Ring2][C][C][C][C][N][C][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][=Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch2].[Br-1]
|
CHEMBL4434920
|
[O][=C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL18302
|
[C][Si][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][#N][C][C][C][C][C][C][C][C][C][C][C][Ring1][O]
|
CHEMBL18303
|
[C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL18856
|
[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL18857
|
[C][C][=Branch1][C][=O][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][C][C][#N]
|
CHEMBL18859
|
[C][C][Branch2][Ring1][N][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18860
|
[C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#C]
|
CHEMBL18861
|
[C][C@][Branch1][C][O][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18583
|
[N][C][C][Branch1][C][O][C][C][C][C][Ring1][Ring2]
|
CHEMBL19033
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][Branch1][=N][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][S][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O]
|
CHEMBL19034
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=N][Ring1][P]
|
CHEMBL19123
|
[C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring1][O][C][C][Ring1][P]
|
CHEMBL19125
|
[I][C][=N][C][=C][N][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3310431
|
[C][C][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][S][Br]
|
CHEMBL18971
|
[C][C@@H1][Branch2][Ring1][N][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL19051
|
[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][N][C][C][=C][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][P]
|
CHEMBL19052
|
[C][C][=N][C][=C][Branch1][Branch1][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][=C][Ring1][Branch1][N][Ring1][N][C][C][Branch1][C][C][C]
|
CHEMBL19053
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][=C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Br][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL19054
|
[C][=C][C][C][O][C][Branch1][=C][C@@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][C][O][C][O][N][C][=Branch1][C][=O][C@@][Ring1][S][Branch1][Ring1][N][O][N][C][Ring1][S][=O]
|
CHEMBL18806
|
[C][C][C][S+1][Branch1][C][O-1][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][NH1][Ring2][Ring1][Branch1]
|
CHEMBL18807
|
[C][C@H1][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL18808
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][C][C][Ring1][P]
|
CHEMBL18900
|
[C][C][Branch2][Ring1][#Branch1][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18901
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][=C][Ring2][Ring1][Branch2]
|
CHEMBL18902
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2]
|
CHEMBL18825
|
[C][=C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Ring1][P][S][C][Ring2][Ring1][Branch2]
|
CHEMBL18826
|
[N][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL18827
|
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL18828
|
[C][C][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][O][C][N]
|
CHEMBL18829
|
[C][C][Branch1][C][C][Branch2][Ring1][O][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL19126
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][P][C][C][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][=C][Ring2][Ring1][N]
|
CHEMBL19128
|
[C][C][C][C][N][C][=C][C][=C][C][Branch1][=N][C@@H1][C][C@H1][Ring1][Ring1][C][N][C][Branch1][C][C][=O][=C][Ring1][=C][O][Ring1][P]
|
CHEMBL19220
|
[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]
|
CHEMBL19055
|
[C][=C][C][Branch2][Ring1][Ring1][C][N][N][=N][N][Ring1][Branch1][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1]
|
CHEMBL19147
|
[C][O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][C]
|
CHEMBL19148
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL19149
|
[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]
|
CHEMBL19150
|
[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][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL19151
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C][C][C][Branch2][Ring1][C][C][C@@H1][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][C]
|
CHEMBL18903
|
[C][C][C][C][N+1][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C].[Br-1]
|
CHEMBL18904
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]
|
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