chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL10696
|
[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][=C][/C][=Branch1][C][=O][O]
|
CHEMBL10697
|
[C][O][C][=C][C][=C][Branch2][Ring2][S][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
|
CHEMBL10698
|
[C][C][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Branch1][C][Br][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C]
|
CHEMBL10699
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL10715
|
[C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10716
|
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring2][Ring1][Branch2]
|
CHEMBL10717
|
[N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL10718
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][C@H1][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL499
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL10822
|
[O][=C][Branch1][C][O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
|
CHEMBL10823
|
[C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][Branch1][C][O][Ring1][N][C@H1][Ring1][=C][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][P]
|
CHEMBL10825
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][=N][C][Branch1][C][C][=C][NH1][Ring1][=Branch1][C][=C][Ring1][N][O][C][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL10826
|
[C][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring2][Ring2][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][N][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N]
|
CHEMBL11190
|
[C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][Branch1][C][O][Ring1][N][C@H1][Ring1][=C][C][C][C][C][O][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][P]
|
CHEMBL11192
|
[C][C][C][C][C][C][C][N][Branch2][Ring2][=Branch2][C][C][C][C][C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CHEMBL11193
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL11195
|
[C][S][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1]
|
CHEMBL11198
|
[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][C][C][Ring1][Branch1]
|
CHEMBL10784
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][#Branch1]
|
CHEMBL10785
|
[C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][=N]
|
CHEMBL10786
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][C][C][N][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL10787
|
[O][=C][Branch1][C][O][C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][Ring1][N]
|
CHEMBL10789
|
[O][=C][Branch1][=N][N][N][C][C][C][=C][Branch1][C][F][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10790
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][N][Branch1][C][C][C][Ring1][P][=O]
|
CHEMBL10805
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C@H1][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S]
|
CHEMBL10806
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=N][C][C][#C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
|
CHEMBL10807
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][O][C][N][Branch1][Ring2][C][C][O][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL10884
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1]
|
CHEMBL10905
|
[C][O][C][=C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][/C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][P].[K+1]
|
CHEMBL10906
|
[C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][NH1][C][=Ring2][Ring1][Ring2][N][Branch1][Ring1][C][C][C][Ring2][Ring1][O][=O]
|
CHEMBL10907
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Branch1]
|
CHEMBL10908
|
[O][=C][Branch2][Ring2][O][N][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=C][C][C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL10853
|
[C][/C][Branch2][Ring1][=Branch2][C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C][=N][\O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10597
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=C][=N][C][Ring1][P][=C][NH1][Ring2][Ring1][Branch1]
|
CHEMBL10598
|
[C][C][C][N][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C]
|
CHEMBL10599
|
[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][Ring2][C][C][Br][C][C][O][Ring1][#C]
|
CHEMBL10600
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][S][C][C][=Branch1][C][=O][N][=C][Ring1][=Branch2][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4559985
|
[C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N]
|
CHEMBL4559986
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][=Branch2][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@@H1][Branch1][C][N][C][C][=C][C][=C][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][Ring1][C][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL4559987
|
[N][C][=N][NH1][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][=C][Ring2][Ring2][Ring2][Ring2][Ring1][P]
|
CHEMBL10864
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL10865
|
[O][C][C][N][Branch1][Ring2][C][C][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10866
|
[C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C@H1][Branch1][C][O][C][Branch1][C][C][C][C][Ring1][#C][Ring1][Branch2]
|
CHEMBL10867
|
[C][C][Branch1][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=C][Branch1][Ring2][N][C][=O][C][Ring1][=C][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL10868
|
[C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL10885
|
[C][O][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL10886
|
[C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][C][C@H1][Branch1][Branch1][C][C][Ring1][=C][N][Ring1][#Branch1]
|
CHEMBL10887
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10888
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10824
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N]
|
CHEMBL10642
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][O][Ring2][Ring1][C]
|
CHEMBL10665
|
[O][=C][Branch1][C][O][C][C][C][/C][=C][\C][C@H1][C@H1][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][O][Ring1][P]
|
CHEMBL10666
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL10667
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Ring1][N][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL10668
|
[I][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL10603
|
[C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][N][Branch2][Ring1][=C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL10604
|
[C][C][C][=C][N][Branch2][Ring2][S][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring2][O][=O]
|
CHEMBL10605
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][=C]
|
CHEMBL10681
|
[C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C][C][Ring1][#C][Ring1][Branch2]
|
CHEMBL10682
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][O][C][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S]
|
CHEMBL10623
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][O][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N]
|
CHEMBL10624
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL4560010
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch2][/C][=C][/N+1][=Branch1][C][=O][O-1][C][Branch1][C][Cl][=C][Ring1][N]
|
CHEMBL4560011
|
[F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N][=Ring1][#C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4560012
|
[C][=C][C][=C][Branch2][Ring1][=N][C][=C][Ring1][=Branch1][C][C][=N][N][C][=C][C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][=N][C][=Ring1][S][Ring1][=N][O][C][O][Ring2][Ring1][#Branch1]
|
CHEMBL4560013
|
[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][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10625
|
[C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O]
|
CHEMBL10626
|
[C][C][Branch1][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10627
|
[C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring1][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL10628
|
[C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][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][Ring1]
|
CHEMBL10644
|
[C][O][C][=C][C][=C][Branch2][Ring2][P][C][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][#C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring2][C]
|
CHEMBL10645
|
[O][C][C][N][Branch1][Ring2][C][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1163331
|
[N][C][C][N][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
|
CHEMBL10721
|
[O][C][C][N][Branch1][Ring2][C][C][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10743
|
[C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10744
|
[C][O][C][=C][C][=C][Branch2][Ring2][O][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL10745
|
[O][=C][Branch1][C][O][C][=C][C][=C][O][C][=C][C][=C][Branch1][Branch1][O][C][C][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL10746
|
[C][C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][\C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
CHEMBL10747
|
[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][=C][/S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL10683
|
[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Ring1][=N][C][C@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring2][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O]
|
CHEMBL10685
|
[C][C][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][S][C][/C][=C][/C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL10767
|
[C][C][=C][C][=C][Branch2][Ring2][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@@H1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][Branch1][C][O][Ring1][N][C@H1][Ring1][=C][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][C]
|
CHEMBL10768
|
[C][N][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I]
|
CHEMBL10769
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL10700
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][O][C]
|
CHEMBL10701
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][Branch1][C][C][C][=Ring2][Ring1][C][C][=N][Ring2][Ring1][=Branch1]
|
CHEMBL4560038
|
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][O][C][C@H1][Ring1][=Branch1][C][C][=C][N][=C][Ring1][=N][N][Ring1][S][C]
|
CHEMBL10702
|
[C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10703
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL1163335
|
[C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][Ring1][#C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][C]
|
CHEMBL10791
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL10723
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O][Ring1][S]
|
CHEMBL10724
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][=C][Ring1][N][Ring1][P]
|
CHEMBL10725
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][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@H1][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL10726
|
[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][P][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL10808
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL10828
|
[C][O][C][=Branch1][C][=O][C][C][C][=C][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C]
|
CHEMBL10829
|
[C][C][C][/C][Branch2][Ring1][#Branch2][C][C][C][C][C][C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][O][Ring1][#C][=N][\O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10830
|
[C][C][=C][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][Branch1][C][Cl][=C][Ring1][#C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10832
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][/C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1].[Na+1]
|
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