chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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|---|---|
CHEMBL8997
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][Branch2][Ring1][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O][=C][Ring2][Ring1][=N]
|
CHEMBL8998
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O]
|
CHEMBL8999
|
[C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]
|
CHEMBL8927
|
[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][=O][O][=C][Ring1][=Branch2][=C][Ring1][P]
|
CHEMBL8929
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][N][=O][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL9018
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL9019
|
[C][=C][C][=Branch1][C][=O][O][C]
|
CHEMBL9020
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9040
|
[C][#C][C][N][Branch1][C][C][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]
|
CHEMBL9041
|
[C][=C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O]
|
CHEMBL9043
|
[C][C][C][C][N][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]
|
CHEMBL9044
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Branch1][C][O][N][Ring1][N][N][=Ring1][#C]
|
CHEMBL9067
|
[C][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL9068
|
[C][=C][=C][Branch1][Ring2][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9069
|
[C][N][C][=Branch1][C][=O][NH1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][Ring1][S][=O]
|
CHEMBL9000
|
[C][C][=C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=N][Ring2][Ring1][Ring2]
|
CHEMBL9001
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][S][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][P]
|
CHEMBL9088
|
[O][=C][Branch1][P][N][C][C][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]
|
CHEMBL9089
|
[O][=C][Branch1][N][N][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]
|
CHEMBL9090
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][/C][=C][/C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O]
|
CHEMBL9021
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL9022
|
[C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][O][O][C@@H1][Branch1][N][C][C][N][Branch1][C][C][C][C][C][N][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][N][C][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch2][O][C]
|
CHEMBL9025
|
[N][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL9111
|
[N][N][C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=C][C][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][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][Ring1][=Branch1][C][=C][Ring2][Ring2][C]
|
CHEMBL9385
|
[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][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][C][Ring2][Ring1][#C][Ring1][N][Ring2][Ring1][N]
|
CHEMBL4303148
|
[O][=C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C][O]
|
CHEMBL9468
|
[N][#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]
|
CHEMBL9469
|
[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]
|
CHEMBL9321
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL9401
|
[C][C][S][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
|
CHEMBL9402
|
[C][N][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][Ring1][#Branch2]
|
CHEMBL9405
|
[C][C][Branch1][C][C][O][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]
|
CHEMBL3309417
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O][C][=Branch1][C][=O][O][C]
|
CHEMBL9341
|
[C][C][Branch1][C][C][/N][=C][Branch1][C][\N][C][=C][C][=C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][/C][Branch1][C][N][=N][/C][Branch1][C][C][C][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL9425
|
[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][=C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][N][C][Ring2][Ring1][S][C][Ring2][Ring1][N]
|
CHEMBL9426
|
[C][C][O][C][=Branch1][C][=O][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]
|
CHEMBL4303157
|
[C][C@][C][C][C@@H1][C@@H1][Branch1][P][C][C][C@H1][C][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][Ring1][S][C][C][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL4553703
|
[C][/C][=Branch1][Ring2][=C][\C][O][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][O][C@][Ring1][Ring1][Branch1][Ring1][C][O][C@H1][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C][=C][C@][Ring2][Ring1][C][Ring2][Ring1][Branch2][O]
|
CHEMBL4553704
|
[Cl].[Cl].[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N]
|
CHEMBL4553705
|
[Br][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][C][Ring1][N][C][=C][Ring2][Ring1][#Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4553706
|
[C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O]
|
CHEMBL4553707
|
[C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=N][N][Ring2][Ring1][N][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2]
|
CHEMBL9427
|
[C][O][C][=C][C][NH1][C][Branch2][Ring1][Ring1][S+1][Branch1][C][O-1][C][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=N][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C][Branch1][C][F][F]
|
CHEMBL3309501
|
[C][C][O][C][=N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1]
|
CHEMBL9449
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C@@H1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][C][=O][=C][Ring2][Ring1][=N]
|
CHEMBL9450
|
[C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL9451
|
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
CHEMBL4559930
|
[O][=C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][O][C][=Ring1][Branch1]
|
CHEMBL4559931
|
[C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][C][C][C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][C][Ring1][O]
|
CHEMBL4559932
|
[C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C@][Branch1][Ring1][O][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C@@H1][O][C@@][Branch1][C][C][C][C@@H1][Ring2][Ring1][Ring2][C@][Ring1][#Branch1][Ring2][Ring1][C][O][O][Ring1][#Branch1]
|
CHEMBL4559933
|
[C][C][Branch1][C][C][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][O][C][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O]
|
CHEMBL4559934
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch1][C][Branch1][C][C][=N][Ring2][Ring1][=N]
|
CHEMBL9452
|
[C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL9453
|
[C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][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]
|
CHEMBL9187
|
[Br].[C][N][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring2][N][C][=O][=C][N][Ring1][Branch2][C][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=N][N]
|
CHEMBL9470
|
[C][C][Branch1][C][C][=C][C][C@@H1][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9471
|
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL9473
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Branch1][P][C][C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring2][#Branch2]
|
CHEMBL9474
|
[C][O][C@H1][C@@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
|
CHEMBL9475
|
[C][C][C][C][C][C][C][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL9207
|
[C][O][C][=C][C][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][=C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL9209
|
[C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9406
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch2][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][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL9576
|
[N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][#Branch2]
|
CHEMBL9577
|
[C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1]
|
CHEMBL9579
|
[C][C][=C][N][Branch2][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][Br][O][Ring1][N][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL3309418
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O][C][Branch1][C][C][C]
|
CHEMBL9428
|
[C][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL483
|
[C][C@H1][Branch2][Ring1][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL9161
|
[C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring1][#C][O][C@@H1][C][C@@H1][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring2][=Branch2]
|
CHEMBL9162
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][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]
|
CHEMBL3309542
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL9188
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][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][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][S]
|
CHEMBL9189
|
[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]
|
CHEMBL9190
|
[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][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2][C][Ring2][Ring1][N][C][Ring2][Ring1][Branch2]
|
CHEMBL9282
|
[O][C][C][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]
|
CHEMBL9212
|
[C][C][N][Branch1][Ring1][C][C][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]
|
CHEMBL3309388
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][=N][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][=Branch1][=N][Ring2][Ring2][C]
|
CHEMBL9580
|
[C][C][/N][=C][Branch1][C][\N][N][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]
|
CHEMBL4553176
|
[C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1]
|
CHEMBL4553177
|
[C][N][N][=C][Branch1][#C][N][C][Branch1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][=N][Ring2][Ring1][#Branch2]
|
CHEMBL4553536
|
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][=Ring1][=Branch2][C][=C][S][Ring1][#C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4553537
|
[C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][/C][=C][/C][=Branch1][C][=O][N][O][C][=C][Ring1][N]
|
CHEMBL9581
|
[C][C][C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL9519
|
[O][=C][C][=C][N][Branch2][Ring1][S][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1]
|
CHEMBL9520
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][/N][=C][Branch1][C][\S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
|
CHEMBL9521
|
[O][C][C][C][N][C][Branch1][C][O][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][P]
|
CHEMBL470
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL3309419
|
[C][O][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9164
|
[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]
|
CHEMBL4553552
|
[O][=C][C][=C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][#C]
|
CHEMBL9165
|
[O][=C][/C][=Branch1][#Branch2][=C][\C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=C][C][=C][Ring1][Branch1][Ring2][Ring1][#Branch1]
|
CHEMBL9257
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1][O][C]
|
CHEMBL9259
|
[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]
|
CHEMBL9283
|
[C][C][C][C][N][Branch2][Ring2][P][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][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9286
|
[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][Branch1][C][Br][C][Ring1][#Branch1][=N][Ring1][O]
|
CHEMBL9301
|
[C][=C][C][O][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][O][C][O][C@H1][Ring1][Branch1][C@@H1][Ring1][O][O][C][=C][Ring2][Ring1][Branch2][O]
|
CHEMBL9302
|
[C][O][C][=C][C][=C][Branch1][O][C][=C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][=C][Ring1][N][O][C]
|
CHEMBL9303
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL4553570
|
[C][C][C][C][C][C][C][C][Branch1][C][N][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O]
|
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