chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL8797
|
[C][C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][O][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring1][S]
|
CHEMBL9098
|
[O][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8816
|
[N][#C][N][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][Ring2]
|
CHEMBL8817
|
[C][N][C][C][C@@H1][Branch2][Ring2][Ring2][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring2][Ring1][Ring2][=Ring1][=C][C@@H1][Branch1][C][O][C][Ring2][Ring1][O]
|
CHEMBL8818
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL8841
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL1163249
|
[C][O][C][=N][O][C][C][C][C][C][Branch1][#Branch1][C][C][Ring1][#Branch2][Ring1][#Branch1][N][Ring1][#Branch1].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL8843
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL8844
|
[C][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][C][Ring1][=Branch2][=O]
|
CHEMBL8845
|
[C][C][C][=Branch1][C][=O][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][O][C][O][Ring1][#Branch2]
|
CHEMBL9146
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
|
CHEMBL9147
|
[C][O][C][C][N][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL9148
|
[C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9149
|
[C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL8799
|
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL8889
|
[C][C][C@][Branch1][Ring1][C][O][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][Branch1][#Branch1][C][C][N][Ring1][=C][C][C][Branch1][Ring2][O][Ring1][=Branch2][C@@H1][Ring2][Ring1][#Branch1][O]
|
CHEMBL8890
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Branch1][C][N][C][Branch2][Ring1][#C][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][N][=O][=C][Ring2][Ring2][Ring1]
|
CHEMBL8891
|
[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8893
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL8819
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl]
|
CHEMBL8820
|
[C][C][C][C][/C][=C][/C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL1778261
|
[C][O][C][=C][C][Branch2][Ring2][C][C][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O][O][C]
|
CHEMBL8916
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]
|
CHEMBL8917
|
[C][C][C][C][C@@H1][Branch2][Branch1][=Branch1][C][C@@H1][Branch2][Ring1][O][C][C][C][=C][C][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8938
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][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][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]
|
CHEMBL8939
|
[C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]
|
CHEMBL8940
|
[C][C][C][C][C][/C][=C][/C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL8942
|
[C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL9235
|
[C][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9237
|
[C][O][P][=Branch1][C][=O][Branch2][Ring1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1].[Cl]
|
CHEMBL67
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/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][Ring2][O]
|
CHEMBL9238
|
[C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring1][O][P][=Branch1][C][=O][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][#C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring2][Branch1].[Cl]
|
CHEMBL9239
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][S][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][NH1][C][=Ring2][Ring1][#C][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][#Branch1][=O]
|
CHEMBL9240
|
[C][N][C][=O]
|
CHEMBL9241
|
[C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C]
|
CHEMBL8982
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][P][C][S][C][C][N][C][=N][S+1][Branch1][C][O-1][N][=C][Ring1][=Branch1][N][O][Ring1][P]
|
CHEMBL8983
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Branch1][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring2][Ring2][=Branch1][=O].[Br-1].[Br-1]
|
CHEMBL8986
|
[C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][S][Ring1][S]
|
CHEMBL8987
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]
|
CHEMBL8988
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL8989
|
[C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][O]
|
CHEMBL9078
|
[C][O][C@H1][C][C][C][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C][C][Ring1][#Branch1][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C@@H1][Ring1][=Branch1][N][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][O]
|
CHEMBL8918
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL8919
|
[C][C][C][C][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL8920
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][=C]
|
CHEMBL9007
|
[C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Ring1][C]
|
CHEMBL9030
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][NH1][C][=Ring2][Ring1][Branch2][N][Branch1][C][C][C][Ring2][Ring1][=C][=O]
|
CHEMBL9031
|
[C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL9032
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][O]
|
CHEMBL9033
|
[C][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][O]
|
CHEMBL9034
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][NH1][C][=Ring2][Ring1][Branch2][N][Branch1][C][C][C][Ring2][Ring1][=C][=O]
|
CHEMBL9412
|
[C][C][C][C][=Branch1][C][=O][O][C][C@][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C][C@H1][Ring1][Branch2][O][C@@H1][C][C@@H1][Branch2][Ring1][O][O][C][=Branch1][C][=O][/C][=C][\C][=C][\C][Branch1][=Branch1][C][Branch1][C][C][O][O][C@H1][Branch1][C][O][C][Ring2][Ring1][P][C@@][Ring2][Ring1][N][Branch1][C][C][C][Ring2][Ring1][Branch1][C][O][Ring1][Ring1]
|
CHEMBL9413
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]
|
CHEMBL9414
|
[F][C][Branch1][C][F][Branch1][C][F][C@H1][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Ring1][O]
|
CHEMBL9415
|
[N][N][C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C@H1][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL9417
|
[N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9418
|
[N][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL9079
|
[C][N][C][=C][Branch1][#C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][Branch2][C][=C][Ring1][=N][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][Ring1][Branch2][=O]
|
CHEMBL9081
|
[2H][C][Branch1][C][2H][Branch1][C][2H][N][C][=O]
|
CHEMBL9083
|
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][Branch2][Ring1][Ring2][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][=C][Ring2][Ring1][=C]
|
CHEMBL8800
|
[C][N][N][=N][N][=C][Ring1][Branch1][C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][/C][=C][/C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL9009
|
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL9010
|
[C][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL9011
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Branch1][C][N][=C][Ring2][Ring1][Branch1]
|
CHEMBL9099
|
[C][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][C][/C][Branch1][C][F][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][Cl][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][#Branch2][C]
|
CHEMBL9102
|
[C][C][C][C][C@@H1][Branch2][Branch1][#Branch2][C][C@@H1][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8753
|
[C][C][C][C][C@@H1][Branch2][Branch1][Ring1][C][C@@H1][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8754
|
[O][=C][Branch1][O][N][C][C][N][C][=C][N][=C][Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl]
|
CHEMBL8755
|
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL8757
|
[C][C][N][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][Ring2][Ring2][Branch2][=Branch1][C][=O][=O][O][C][C][O][Ring1][O]
|
CHEMBL8758
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][Br][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8759
|
[N][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@H1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][Ring1][N]
|
CHEMBL8777
|
[C][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring1][N][C][N][C][Ring1][P][=O]
|
CHEMBL8778
|
[O][=C][Branch1][=N][N][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1]
|
CHEMBL8779
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL1163248
|
[C][N][C][=C][N+1][Branch1][C][C][=C][Ring1][=Branch1][/C][=C][/C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2].[I-1]
|
CHEMBL8780
|
[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][=C][Branch1][C][O][N][Ring1][N][N][=Ring1][#C]
|
CHEMBL8869
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][S][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][Cl]
|
CHEMBL8801
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][N][=C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][C][Ring1][#C]
|
CHEMBL8802
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=C][Ring1][P]
|
CHEMBL8804
|
[C][C][Branch1][C][C][=C][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL8805
|
[C][C][Branch1][C][C][=C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9103
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1]
|
CHEMBL9104
|
[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][C][C][C][=C][C][C][Branch2][Ring2][N][O][C][C][O][C][C][O][C][C][O][C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][Ring2][Ring2][Branch1][Branch1][C][C][C][Ring2][Ring2][#Branch2][C][C][C][Ring2][Ring2][P][Ring2][Ring2][=C][C]
|
CHEMBL9106
|
[C][C][C][C][C][C][C][C][C][C][C][Ring1][Ring1][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8823
|
[C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL8824
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
|
CHEMBL8846
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][O]
|
CHEMBL8847
|
[C][C][C][C][C@@H1][Branch2][Branch1][#Branch1][C][C@@H1][Branch2][Ring1][N][C][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8848
|
[C][=C][=C][Branch1][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8849
|
[C][C][C][/C][=C][/C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL8850
|
[O][=C][Branch1][N][N][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
|
CHEMBL8857
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8870
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]
|
CHEMBL8871
|
[C][C][=C][C][=C][C][Branch1][=N][S][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL8872
|
[C][C][=C][C][=C][Branch1][=N][S][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][=C][Ring1][=C]
|
CHEMBL8873
|
[C][C][C@@H1][/C][=C][Branch1][C][\C][C][C@H1][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C@H1][O][C@@][Branch1][C][O][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][S][/C][Branch1][C][C][=C][/C@@H1][C][C][C@@H1][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C@H1][Branch1][Ring1][O][C][C][Ring1][S][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C][Ring2][Branch1][=Branch1][=O][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring2][S][O][C]
|
CHEMBL8877
|
[C][=C][=C][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL8878
|
[C][C][C][C][O][C][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL8895
|
[C][C][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.