chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL1163283
|
[C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
CHEMBL9676
|
[C][C][=C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][=Ring1][S][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]
|
CHEMBL9677
|
[C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][C][O][C][=N][N][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C]
|
CHEMBL3309996
|
[N][C][C][=C][C][=C][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][N][=C][Branch1][C][N][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
|
CHEMBL10169
|
[C][C][Branch1][C][C][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9929
|
[C][C][Branch1][C][C][S+1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C][=C][Branch1][=Branch2][C][C][C@][Ring1][#Branch2][Ring1][#Branch1][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][C].[I-1]
|
CHEMBL9930
|
[C][C][C][C][C][N][C][=N][C][=C][Branch2][Ring1][#Branch1][C][#C][C][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][N][=C][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O]
|
CHEMBL9931
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][P][=Branch1][C][=O][Branch2][Ring1][Branch1][C][O][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9678
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch1][C][Ring2][Ring1][#Branch1][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][Ring2][Ring1][=C][Ring1][O][Ring2][Ring1][O]
|
CHEMBL9754
|
[C][=C][C][N][Branch1][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][C][=C]
|
CHEMBL9755
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL9757
|
[C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][\C][=Branch1][C][=O][O][C@@H1][C][C@H1][O][C@@H1][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C@][Ring1][Branch2][Branch1][N][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][=C][O][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][Ring2][Ring1][Ring1][C][O][Ring1][Ring1]
|
CHEMBL3309998
|
[N][C][N][=C][C][=C][C][=C][Branch1][Branch1][N][C][C][O][C][=C][Ring1][#Branch2][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][Branch2][N][=Ring2][Ring1][O]
|
CHEMBL9932
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][N]
|
CHEMBL10007
|
[C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][S][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][N][Ring1][=Branch2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL10008
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C]
|
CHEMBL10009
|
[C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL9758
|
[C][C][C][C][C][C][C][C][Branch1][C][O][=N][O][C][=Ring1][=Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL9832
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch1][C][Ring2][Ring1][#Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][C][Ring2][Ring1][#C][Ring1][N][Ring2][Ring1][N]
|
CHEMBL9833
|
[C][C][C][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3309999
|
[N][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][N][=C][Branch1][C][N][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1]
|
CHEMBL3310000
|
[C][N][Branch1][C][C][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][N][=C][Branch1][C][N][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1]
|
CHEMBL10010
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][C][=N][C][C][C][N][Ring2][Ring1][Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL10088
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][=C][Branch1][#C][N][/C][Branch1][C][S][=N][/C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=N][C][C][C][N][Ring2][Ring1][Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL10089
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL3309984
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][N][=N][N][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C]
|
CHEMBL9835
|
[C][=Branch2][Ring1][Branch2][=C][/C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][\C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9597
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][N][=N][Ring1][#Branch1][N][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][N][Ring2][Ring1][=Branch1]
|
CHEMBL9598
|
[C][O][C][=C][C][Branch1][N][N][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][=C][C][=C][Ring1][=N][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][S][Ring1][Branch2]
|
CHEMBL9600
|
[C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
CHEMBL10090
|
[C][O][C][=C][C][Branch1][C][Br][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Branch1][C][C][N][=C][Ring1][P][Ring2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C]
|
CHEMBL10091
|
[C][O][C][=C][C][Branch1][C][Br][=C][Branch2][Ring1][S][N][C][=N][C][Branch1][C][C][=N][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N]
|
CHEMBL10170
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL10171
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][O][C@@H1][C][C][N][C][Ring1][Branch1][=C][N][=C][Ring1][N][Cl][=C][Ring2][Ring1][Ring1]
|
CHEMBL3309985
|
[N][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][Ring2][N][=Ring2][Ring1][#Branch1]
|
CHEMBL9601
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]
|
CHEMBL9679
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][P][=Branch1][C][=O][Branch2][Ring1][Branch2][C][O][C@H1][Branch1][C][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL9680
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring1][O][C][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2][=C][N][Ring2][Ring2][C][C]
|
CHEMBL1163284
|
[C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][N][Ring1][#Branch1]
|
CHEMBL9681
|
[C][O][C][=Branch1][C][=O][C][N][P][=Branch1][C][=O][Branch2][Ring1][=C][O][C][C][O][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C][Ring1][=C][N][=N+1][=N-1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10173
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][O][C@@H1][C][C][N][C][Ring1][Branch1][=C][Ring1][N][=C][Ring2][Ring1][C]
|
CHEMBL10174
|
[C][S][C][=N][N][Branch1][S][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=N][C][Branch1][C][C][=N][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=N][Ring1][P]
|
CHEMBL10175
|
[C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][C][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL9933
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL9934
|
[O][=C][Branch2][Ring1][=C][N][C][C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][C][C][Ring1][Ring2]
|
CHEMBL9759
|
[C][C][=N][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][O][Ring1][=Branch1]
|
CHEMBL9761
|
[C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL1163288
|
[N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S]
|
CHEMBL9763
|
[C][=C][C][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]
|
CHEMBL3310014
|
[C][C][=C][C][=C][Branch2][Ring1][P][C@@H1][C][C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][=N][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL9935
|
[C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][N][Ring1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
|
CHEMBL9936
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL9937
|
[O][=C][Branch1][C][O][C][C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P]
|
CHEMBL10012
|
[O][=P][Branch1][C][O][Branch1][C][O][C][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1]
|
CHEMBL10013
|
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][=N][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][Branch2][C]
|
CHEMBL9836
|
[C][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][#Branch2][C@H1][Branch1][C][O][C@][Branch1][Ring1][C][O][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][C][Ring2][Ring1][#Branch2]
|
CHEMBL9838
|
[C][C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL9840
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][C][Ring2][Ring1][Ring1]
|
CHEMBL9841
|
[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL10144
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][O][Ring1][P]
|
CHEMBL10145
|
[N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O]
|
CHEMBL10224
|
[C][C][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10226
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
|
CHEMBL10161
|
[C][C][=N][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][C][Ring2][Ring1][S][=Ring2][Ring1][=N]
|
CHEMBL10162
|
[C][C][C@@H1][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10163
|
[C][N][C][=Branch1][C][=O][C][C][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C][Branch1][=C][C][C][C@@][Ring1][=Branch1][Branch1][C][O][C][#C][C][C][Br][C][Ring1][S][C][C][C][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch1]
|
CHEMBL10164
|
[O][=P][Branch1][C][O][Branch1][C][O][C][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1]
|
CHEMBL10105
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Branch1]
|
CHEMBL10107
|
[O][=C][Branch2][Ring2][#C][N][C][=C][C][=C][Branch2][Ring2][C][C][C@H1][Branch2][Ring1][Branch2][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10181
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring2][O][C][=C][Ring2][Ring1][=C]
|
CHEMBL10182
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][C][Branch1][Ring1][N][=O][=C][Branch1][C][O][NH1][C][=Ring1][Branch2][C][=C][Ring1][N][C][C][C][C][Ring1][=Branch1]
|
CHEMBL10183
|
[C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C][Branch2][Ring2][=N][C][C][Branch2][Ring2][Ring1][C][C][O][C][O][C@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C][Ring1][#C][Ring1][=Branch2][O][O][Ring1][#C][C][O][Ring2][Ring1][#Branch1][O][C][O][C@][Branch1][C][C][C][C][C][Ring2][Ring2][#Branch1][C][Ring1][Branch2][Ring2][Ring2][Branch1][O][O][Ring1][Branch2]
|
CHEMBL10127
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][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][Ring1][=Branch1][O]
|
CHEMBL10128
|
[C][=C][C][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Ring1][#C][O]
|
CHEMBL1163307
|
[C][N][Branch2][Branch2][=Branch2][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10202
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][O][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL10203
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br][=N][Ring2][Ring1][Ring2]
|
CHEMBL10204
|
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][#Branch1][C]
|
CHEMBL10227
|
[C][C][S][C][Branch1][C][N][N][C][C][C][=C][Branch1][C][O][N][N][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=Ring1][=C]
|
CHEMBL10228
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL10229
|
[C][C][C][C][C][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]
|
CHEMBL9985
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]
|
CHEMBL9986
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL10505
|
[O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][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]
|
CHEMBL10506
|
[O][C][C][N][Branch1][Ring2][C][C][O][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10507
|
[C][N][C][C][=Branch1][C][=O][/C][=Branch2][Ring1][Branch2][=C][Branch1][C][O][\C][=C][\C][=C][\C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL10509
|
[N][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][Branch1][C][O][=N][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL10184
|
[C][O][C][=C][Branch1][C][C][C][=N][C][Branch2][Ring1][Ring1][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][C]
|
CHEMBL10185
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL10186
|
[C][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][C][Branch1][=C][S+1][Branch1][C][O-1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL9949
|
[C][=C][C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][=C][C][=C][Ring1][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N]
|
CHEMBL9950
|
[O][=C][Branch2][Ring1][#C][N][C][C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][C][C][C][Ring1][Ring2]
|
CHEMBL10207
|
[C][C][C][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][C][Ring1][O][Ring1][=C]
|
CHEMBL9968
|
[C][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][#Branch2][C@H1][O][C][C@@][Ring1][Ring2][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][C][Ring2][Ring1][#Branch2]
|
CHEMBL9969
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][O][Ring1][=N]
|
CHEMBL75
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C@H1][C][O][C@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P]
|
CHEMBL9987
|
[C][#C][C][N][Branch1][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][C][#C]
|
CHEMBL9988
|
[C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][O][C][C][C][O][C][=N][N][Ring1][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C]
|
CHEMBL9989
|
[C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C][Ring1][=C][O]
|
CHEMBL9990
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]
|
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