chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL11677
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl]
|
CHEMBL11967
|
[C][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]
|
CHEMBL11700
|
[C][C][N][Branch1][Ring1][C][C][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]
|
CHEMBL11702
|
[C][C][/C][=Branch2][Ring2][C][=C][Branch2][Ring1][=Branch1][/C][C][=C][C][=C][Branch1][O][O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11996
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][S][=C][\C][C][C][S][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL11724
|
[N][#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][=C][Ring2][Ring1][N]
|
CHEMBL11725
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][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][Ring2][C][NH1][Ring2][Ring2][Branch1]
|
CHEMBL11726
|
[C][C][C@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch1][#C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11727
|
[C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL11728
|
[C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11729
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][O][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL11655
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C]
|
CHEMBL11656
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch2][N][C][N][=C][N][=C][C][=Branch1][O][=C][Branch1][C][O][N][Ring1][#Branch1][N][=Ring1][#Branch2][C][C][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL11657
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11658
|
[C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL11678
|
[C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][Branch1][C][C][=C][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL11862
|
[O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][N][C][C][Ring1][=Branch2]
|
CHEMBL11768
|
[F][C][=C][C][=C][Branch2][Ring2][N][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][O][O][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][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL11769
|
[C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O]
|
CHEMBL11770
|
[C][=C][C][N][C][C][C@@H1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@H1][Ring1][N][Ring1][#C]
|
CHEMBL11771
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@@H1][Ring1][=Branch2][C][Ring1][=N]
|
CHEMBL1163385
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][S+1][Branch1][C][O-1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][=Branch1]
|
CHEMBL11704
|
[C][O][C][=Branch1][C][=O][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]
|
CHEMBL11789
|
[C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl][C][C][Ring2][Ring1][Branch2]
|
CHEMBL11790
|
[C][N][C][Branch2][Ring1][Branch2][C][C][NH1][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring1][#Branch2][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=N][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]
|
CHEMBL11791
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/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][Ring2][Ring1][C][=C][Ring2][Ring1][=N]
|
CHEMBL11792
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][Branch2][=C][\C][C][C][C][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11730
|
[C][N][Branch1][C][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL11812
|
[O][=C][Branch2][Ring1][=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][=C][Ring2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O]
|
CHEMBL11813
|
[O][=C][C][=N][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1]
|
CHEMBL11814
|
[C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11815
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2]
|
CHEMBL1163387
|
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][C]
|
CHEMBL11745
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=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][Ring2][Ring1][=N][O]
|
CHEMBL11748
|
[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][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]
|
CHEMBL1075952
|
[C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][C][C][C][C][/C][=C][\C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][Ring2][=O]
|
CHEMBL4560015
|
[C][C][#C][C][=N][C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][P]
|
CHEMBL11749
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][N][=N][Ring1][Branch1]
|
CHEMBL11750
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch2]
|
CHEMBL11773
|
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][N][Ring1][O][C]
|
CHEMBL11856
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL11857
|
[C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL11858
|
[C][O][N][Branch2][Ring1][C][/C][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1163393
|
[C][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C][=Branch2][=Branch2][N][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Branch2][Ring2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][C][Branch2][=Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C][C][C@][Ring1][#C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch1][=C][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][C][C][=C][O][Ring2][Ring2][#C][C][C][C@][Ring2][=Branch1][Ring1][Ring2][Branch1][#C][C][C][C@][Ring2][=Branch1][=Branch2][Branch1][C][C][C][C][C@H1][Ring2][=Branch1][#C][C][Ring2][#Branch1][Ring1][Branch1][C][C][C]
|
CHEMBL11860
|
[S][=C][N][C][C][N][Ring1][Branch1]
|
CHEMBL11793
|
[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][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N]
|
CHEMBL1163391
|
[N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][S][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][Branch1]
|
CHEMBL11882
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C]
|
CHEMBL11883
|
[C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11884
|
[C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11816
|
[C][N][Branch1][C][C][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]
|
CHEMBL11901
|
[C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][Ring1][C][O][N][Ring1][#C]
|
CHEMBL1163395
|
[C][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][O]
|
CHEMBL11903
|
[C][C][=C][C][=C][Branch2][Ring1][=N][S][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][C][Ring1][S][=O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL11904
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][Branch2][=C][\C][C][C][C][C][Br][C][=Branch1][C][=O][O]
|
CHEMBL11917
|
[C][/C][=C][Branch2][Ring1][#Branch2][\N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=Branch1][C][=O][O]
|
CHEMBL11918
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][=C][=C][\C][C][C][C][C][S][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O]
|
CHEMBL11919
|
[C][C@H1][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL11920
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Br][=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]
|
CHEMBL1163394
|
[O][=C][C][Branch1][C][Cl][=C][Branch1][Branch1][S][C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL1789128
|
[C][C][Branch1][C][C][C][C@@H1][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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][S][S][C][C@@H1][Branch2][Branch2][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][=Branch1][N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][S][C][=C][C][=C][C][=Branch1][C][=N][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][O][O][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][N][=C][C][=C][Ring2][Ring1][Branch2][Ring1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][P][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][Branch2][Branch1][=O]
|
CHEMBL11944
|
[C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][C][O][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N][C][=C][Ring2][Ring1][O]
|
CHEMBL11945
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL11946
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][P]
|
CHEMBL11947
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL11885
|
[O-1][S+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][NH1][Ring1][Branch1]
|
CHEMBL11886
|
[N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL11887
|
[C][O][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]
|
CHEMBL11968
|
[C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][N][Branch1][S][C][C][C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][=C][Ring1][=Branch2][C][C@H1][Ring1][P][C]
|
CHEMBL11969
|
[C][C][Branch1][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]
|
CHEMBL11970
|
[O][=C][C][=N][N][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch2]
|
CHEMBL11905
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=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][Ring2][Ring1][=N][O]
|
CHEMBL11997
|
[C][O][C][=Branch1][C][=O][C][S][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]
|
CHEMBL11998
|
[C][C][=Branch1][C][=N][N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][#C]
|
CHEMBL11999
|
[C][/C][=C][Branch1][=N][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12000
|
[C][/C][=C][Branch1][=N][\N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12001
|
[C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=Branch1][C][=O][O]
|
CHEMBL11660
|
[C][C][=C][N][Branch1][Branch2][C][O][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][NH1][C][Ring1][=C][=O]
|
CHEMBL11661
|
[C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Br][Br][C][=Branch1][C][=O][O]
|
CHEMBL11662
|
[O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N]
|
CHEMBL11663
|
[C][C][/C][=Branch2][Ring1][P][=C][Branch1][#Branch2][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11664
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL11751
|
[N][#C][C][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][S][C][=Ring2][Ring1][Ring2][N]
|
CHEMBL11948
|
[C][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL11949
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
CHEMBL11682
|
[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][=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]
|
CHEMBL11683
|
[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=S]
|
CHEMBL11684
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C@H1][Ring2][Ring1][Ring1][O]
|
CHEMBL11687
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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]
|
CHEMBL11971
|
[C][N][Branch2][Ring1][=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][C][C][=Branch1][C][=O][O]
|
CHEMBL11972
|
[C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL11973
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][#Branch1]
|
CHEMBL11705
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1]
|
CHEMBL11706
|
[C][C][C][C][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=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][S][C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][S]
|
CHEMBL11707
|
[O][=C][Branch1][C][O][C][N][C][C][C][C][Branch1][Ring1][C][S][C][Ring1][Branch2][=O]
|
CHEMBL12002
|
[C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12003
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11731
|
[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][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][C][=C][S][C][=Ring1][Branch1][C][C][C][C][Ring2][Ring1][C]
|
CHEMBL11732
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/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][=C][Ring2][Ring1][C][=C][Ring2][Ring1][N][O]
|
CHEMBL11733
|
[C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][Branch1][Ring1][C][#N][N][C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O][C][O][Ring1][=Branch2]
|
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