chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL1163388
|
[O][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][Ring1][=C]
|
CHEMBL4559968
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C]
|
CHEMBL11752
|
[N][C][=N][C][=Branch1][C][=O][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][Br][C][Ring1][Branch2][O][C][=C][Ring1][S][F]
|
CHEMBL11753
|
[C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N]
|
CHEMBL11754
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring2][Ring1][Ring1].[Br-1]
|
CHEMBL11755
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11688
|
[C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=O]
|
CHEMBL11774
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11775
|
[C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][S][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][C@H1][C][C][C@@H1][Ring2][Ring1][=Branch2][C@@H1][Ring2][Ring1][Branch2][Ring1][Branch1]
|
CHEMBL11776
|
[F][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][S][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL11708
|
[C][C][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL11709
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N]
|
CHEMBL11710
|
[O][=C][Branch1][C][O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL11794
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL11795
|
[C][C][=Branch1][C][=O][S][C][C][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O]
|
CHEMBL11734
|
[C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][Ring1][Ring2][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL1163386
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL4559979
|
[C][C][=N][NH1][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][=N][Ring2][Ring1][Ring1]
|
CHEMBL11820
|
[N][#C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/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][Ring2][Ring1][C][=C][Ring2][Ring1][=N]
|
CHEMBL11838
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][S][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=N]
|
CHEMBL11839
|
[O][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL11840
|
[C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][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][Branch1][Ring2][C][O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL11841
|
[C][=C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL11842
|
[C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL11778
|
[O][=C][Branch2][Ring1][=C][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O]
|
CHEMBL11863
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N]
|
CHEMBL11864
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][S][NH1][Ring2][Ring2][Ring1]
|
CHEMBL11865
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C]
|
CHEMBL11866
|
[C][C][C][N][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL11796
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/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][C][Branch1][C][O][=C][Ring2][Ring1][=N]
|
CHEMBL11797
|
[C][=C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][/C][=Branch1][Ring1][=C][\C][C][=Branch1][C][=O][O]
|
CHEMBL11798
|
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL11888
|
[C][O][/C][=C][Branch1][=C][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11890
|
[N][N][C][Branch2][Ring1][N][S][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][#C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring2][Ring1][N][=O]
|
CHEMBL504
|
[C][S+1][Branch1][C][C][O-1]
|
CHEMBL11821
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch2]
|
CHEMBL1163396
|
[O][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2][Ring1][=C]
|
CHEMBL11906
|
[C][C][=Branch1][C][=O][S][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]
|
CHEMBL11908
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N]
|
CHEMBL11909
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O]
|
CHEMBL11910
|
[C][/C][=C][Branch1][=N][\N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][=Branch1][C][=O][O]
|
CHEMBL11932
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#Branch2][=C][\C][C][C][C][C][N][C][=N][C][=Branch1][C][=O][O]
|
CHEMBL11933
|
[C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2].[Cl-1]
|
CHEMBL11934
|
[O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][N][C][Ring1][Branch2]
|
CHEMBL11935
|
[N][N][C][Branch2][Ring1][#Branch1][S][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL11936
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][O][C][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][N][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL11938
|
[S][C][=N][C][C][C][N][Ring1][=Branch1]
|
CHEMBL11867
|
[C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL11950
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/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][Ring2][Ring1][C][=C][Ring2][Ring1][N][O]
|
CHEMBL11951
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][=Branch2][=C][\C][C][C][C][C][C][#N][C][=Branch1][C][=O][O]
|
CHEMBL11952
|
[C][C][C][C][N][C][C][C][N][Branch1][Branch1][C][C][C][C][C][Ring1][#Branch2][=O]
|
CHEMBL11953
|
[C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11954
|
[C][C][=Branch1][C][=O][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#C][Cl]
|
CHEMBL11891
|
[O][=C][Branch1][C][O-1][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][/C][=C][/C][=Branch2][Ring1][#Branch2][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][N][=N][Ring1][Branch1].[Na+1]
|
CHEMBL11892
|
[C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL11974
|
[C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=O]
|
CHEMBL11976
|
[C][C][Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O]
|
CHEMBL11977
|
[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][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring2][Ring1][Ring1].[Br-1]
|
CHEMBL1163425
|
[C][C][=C][Branch2][Ring1][=N][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][C][Ring1][Ring1][C][Branch1][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C]
|
CHEMBL12004
|
[F][C][=C][C][=C][Branch2][Ring2][=C][C][Branch2][Ring1][#C][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][C]
|
CHEMBL12005
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Branch2][Ring1][=Branch1][C][S][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL12006
|
[C][C][=Branch1][C][=O][S][C][C][C][C][C][N][Branch1][P][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O]
|
CHEMBL12007
|
[C][O][C][C][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][C][Branch1][C][C][N][C][=C][Ring2][Ring2][Branch2]
|
CHEMBL11665
|
[N][C][Branch2][Ring1][=Branch1][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O]
|
CHEMBL11666
|
[N][C][Branch2][Ring1][Ring1][C][C][C][C][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O]
|
CHEMBL11667
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
|
CHEMBL11668
|
[C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch1][=Branch2][O][C][=Branch1][C][=O][C][O][C][=C][Ring1][P][Cl]
|
CHEMBL11669
|
[C][O][C][=C][C][=C][C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11670
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1]
|
CHEMBL11955
|
[C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][S][N][Branch1][#Branch1][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][N][=N][Ring1][#C]
|
CHEMBL1163384
|
[O][=C][Branch2][Ring1][C][N][C][C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL11689
|
[C][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][=Branch1][C][=O][N][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL11690
|
[C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL11691
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C]
|
CHEMBL4560042
|
[C][N][Branch1][C][C][C][=Branch1][C][=S][S][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
CHEMBL4560043
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][Cl][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL11978
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL11979
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][=C]
|
CHEMBL11981
|
[C][C][N][C][C][C][C][N][Branch1][Ring1][C][C][C][Ring1][=Branch2][=O]
|
CHEMBL11982
|
[C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL11713
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][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][C][O][C][Ring2][Ring1][Branch1].[I-1]
|
CHEMBL12008
|
[C][C][O][C][=Branch1][C][=S][S][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12009
|
[C][C][=Branch1][C][=N][N][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11735
|
[C][O][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11736
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11756
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL11757
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Branch1][N][C][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL11758
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][C][=Branch1][C][=O][=O]
|
CHEMBL11759
|
[C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][C][=Branch1][C][=O][O][C]
|
CHEMBL11760
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N]
|
CHEMBL11692
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=Branch1][C][=O][O][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL11693
|
[S][C][=N][C][C][C][C][N][Ring1][#Branch1]
|
CHEMBL11779
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][S][C][N][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL11781
|
[C][/C][=C][Branch2][Ring1][Ring2][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]
|
CHEMBL11714
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][P][O][Ring2][Ring1][=N]
|
CHEMBL11716
|
[F][C][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL11799
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch2]
|
CHEMBL11801
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][Ring2][Ring2][Ring1][P]
|
CHEMBL11737
|
[C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C][=C][N][Ring1][P][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL11738
|
[O][=C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][Ring1][P]
|
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