chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL17241
|
[C][C][C][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][=Branch1][O][C@H1][C][C@][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][S][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][Ring1][S][=O][O][C][Branch1][C][C][C][Ring2][Ring2][Ring2][O]
|
CHEMBL17242
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL17317
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL17318
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17835
|
[C][=C][C][Branch1][C][C][Branch1][C][C][C][=C][Branch2][Ring2][S][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][C][C][C][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=C][Ring1][#C][Ring1][O][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring2][C][C]
|
CHEMBL17836
|
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL17837
|
[C][C][=Branch1][C][=O][N][N][C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][N][C][Ring1][#Branch2][C]
|
CHEMBL17513
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][N][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#C]
|
CHEMBL3310012
|
[C][C][=C][C][=C][Branch2][Ring2][C][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][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL18211
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL17868
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][C][=C][C][=C][C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17870
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2][N]
|
CHEMBL17872
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][O][C][N][=C][Branch1][C][O][S][C][Ring1][N][=Ring1][=Branch1]
|
CHEMBL17873
|
[N][C][=N][C][Branch1][C][N][=C][C][Branch1][P][C][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][NH1][C][Ring1][#C][=N][Ring2][Ring1][Ring2]
|
CHEMBL18171
|
[C][C][Branch1][C][C][O][C][Branch1][O][/C][=C][/C][=C][N][=C][C][=N][Ring1][=Branch1][=C][C][Ring1][=C][=O]
|
CHEMBL18172
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C]
|
CHEMBL17894
|
[N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][Ring1][C][O][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][N]
|
CHEMBL17895
|
[C][C][Branch1][C][C][O][C][Branch1][#Branch2][/C][=C][/C][C][=C][S][C][=Ring1][Branch1][=C][C][Ring1][=N][=O]
|
CHEMBL17896
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][C][Branch2][Ring1][=C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL17558
|
[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][S][S][C@@H1][C][N][C@@H1][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C@H1][Branch1][C][N][C][C][Branch1][C][N][=O][C][=C][Ring1][N][C][Ring1][P][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][=C][Ring2][Ring1][O]
|
CHEMBL17559
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][O][C][C][O][C][=C][Ring1][N][I]
|
CHEMBL17560
|
[O][C][C][C][C][C][C][C][C][C][C][Branch1][C][Br][C][C][O]
|
CHEMBL17562
|
[O][=C][O][C@H1][Branch1][Ring1][C][O][C][N][Ring1][#Branch1][N][C][=C][C][=C][Ring1][Branch1]
|
CHEMBL17564
|
[C]
|
CHEMBL3310146
|
[O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][O][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Ring1][=N][C][=C][C][=N][C][=N][Ring1][=Branch1]
|
CHEMBL17577
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL4543435
|
[C][C][=C][C][=C][Branch2][Ring1][Branch2][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL17579
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][N][C][C][=N][O][S][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Ring1][=N]
|
CHEMBL17580
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL17581
|
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C@H1][C][O][C@@H1][Ring2][Ring1][#Branch1][C@H1][Ring1][Branch1][C][O]
|
CHEMBL17669
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=C][S][Ring2][Ring1][Branch2]
|
CHEMBL17961
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][#C][N][C][C][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17962
|
[N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL17964
|
[C][C][N][Branch2][Branch1][=C][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][Branch2][Ring1][Ring2][O][C][C][C][C][N+1][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][P][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2].[I-1]
|
CHEMBL17966
|
[C][C][N][Branch2][Branch1][P][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][C][C][N+1][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring2][Ring2][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2].[Br-1]
|
CHEMBL18057
|
[O][=C][Branch1][P][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL17897
|
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]
|
CHEMBL4543439
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL4543440
|
[O][=C][Branch1][P][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][Ring1][#C]
|
CHEMBL4543441
|
[C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][=C]
|
CHEMBL4543442
|
[C][C][=Branch1][C][=O][O][C@H1][C][C@@H1][Branch2][#Branch1][#Branch1][O][C@@H1][C][Branch1][C][C][O][C@H1][Branch2][=Branch1][=Branch1][O][C@@H1][C][Branch1][C][C][O][C@@H1][Branch2][Branch1][Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C][Branch2][Ring2][Branch1][C][C][C][C][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][C@@H1][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C@][Ring1][P][Ring1][N][O][C][Ring2][Ring1][O][C][C@@H1][Ring2][Ring2][Ring1][O][C][C@@H1][Ring2][Ring2][N][O][O][C][Branch1][C][C][C@H1][Ring2][Branch1][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]
|
CHEMBL4543443
|
[C][C][C][C][=N][N][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][O][=C][Ring2][Ring1][C][=C][C][=N][C][=Ring2][Ring1][O][Ring2][Ring1][Branch2]
|
CHEMBL17987
|
[O][=C][Branch2][Ring1][O][N][C][C][C][C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL17988
|
[C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL3310108
|
[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][N][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL17645
|
[N][C][=N][C][Branch2][Ring2][=Branch1][N][C][C@H1][C][C][C@H1][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][P][Ring1][=Branch1]
|
CHEMBL17646
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL17647
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]
|
CHEMBL17648
|
[C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL4543454
|
[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL4543455
|
[C][C][C][C][C][C][C][C][C][C][N][Branch1][Ring2][C][C][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O]
|
CHEMBL17649
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[K+1]
|
CHEMBL17670
|
[C][C][Branch1][C][C][O][C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][C][Ring1][S][=O]
|
CHEMBL17671
|
[C][N][C][C][N][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch2]
|
CHEMBL17672
|
[C][C][Branch1][C][C][=C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL17674
|
[C][C][=N][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
|
CHEMBL17756
|
[C][S][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=C][Ring1][S]
|
CHEMBL597
|
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL18060
|
[C][C][O][C][C][N][C][Branch1][=N][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL18061
|
[O][=C][Branch1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL18150
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1]
|
CHEMBL18081
|
[C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][C][Branch1][#Branch2][O][C][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL18083
|
[C][C][N][C][C][C][N][C][C][C][N][C][C][C][C][N][C][C][C][N][C][C][C][N][C][C]
|
CHEMBL18084
|
[C][O][/N][=C][Branch1][C][/Cl][C][=C][C][C][C][N][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch1]
|
CHEMBL17735
|
[N][=C][Branch1][C][N][C@H1][C][C][C@H1][Branch2][Branch1][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][C][Ring2][Ring2][Ring2]
|
CHEMBL17736
|
[N][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17737
|
[C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][C][Branch1][#Branch1][C][Branch1][C][C][C][O][C][C][Ring1][#Branch2]
|
CHEMBL17738
|
[C][=C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][/C][=C][/C][Branch1][C][C][=C][/C@H1][Branch1][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][Ring2][Branch1][#C][C]
|
CHEMBL17739
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL17882
|
[C][C][C][C][C][C][C][C][N][C][C@H1][Branch1][P][O][C@@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][Ring1][=C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17757
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][O]
|
CHEMBL17758
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL17759
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][S]
|
CHEMBL17760
|
[C][=N][C][=C][Branch2][Ring1][C][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C]
|
CHEMBL18134
|
[C][S+1][Branch1][C][O-1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL18151
|
[C][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][C][C][C][Ring2][Ring1][Ring2]
|
CHEMBL18153
|
[C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL18154
|
[C][=C][C][=C][C][Branch2][Ring1][C][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C][=C][C][Branch2][Ring1][C][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C][=N][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2]
|
CHEMBL18155
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Branch1][C][C][N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][N][C][=N][C][Ring2][Ring2][Ring2][=N][Ring2][Ring2][=Branch2]
|
CHEMBL18085
|
[C][=C][C][=C][S][C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18086
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][Ring1][#Branch2][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@H1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2]
|
CHEMBL18087
|
[C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C@H1][C][Branch1][C][O][C@H1][Branch2][Ring2][N][O][C][C][C][C@@H1][C@H1][Branch1][C][C][C][C][C@H1][Ring1][=Branch1][C][Branch1][Ring1][C][=O][C][C][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][Ring1][O][C][=Branch1][C][=O][O][O][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][S][O][C]
|
CHEMBL18088
|
[C][C][C][N][Branch1][#C][C][C][S][S][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
CHEMBL18173
|
[C][C][C][Branch1][C][C][N][Branch2][Ring2][Ring2][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=S][N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br][C][Branch1][C][C][C][C]
|
CHEMBL18174
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][=C][NH1][N][=C][Ring1][Branch1][Ring1][O]
|
CHEMBL4543493
|
[C][C][C][C][C][N][C][C][Branch1][C][F][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL18177
|
[C][=C][C][=C][N][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][=N][C][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL17740
|
[C][=C][C][=C][Branch1][N][C][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][#C]
|
CHEMBL17822
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL17823
|
[C][C][C][C][=N][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring2][C][C][C][=N][N][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4543515
|
[O][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][Ring1][S]
|
CHEMBL4543516
|
[C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][Ring2][Ring1][Ring2]
|
CHEMBL4543517
|
[C][C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][Ring1][Branch2][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][C]
|
CHEMBL18135
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL18136
|
[N][/C][=Branch1][Ring1][=N][\O][N][C][C][C][Branch2][Ring2][#Branch2][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][P][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=C]
|
CHEMBL18137
|
[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][#C][S][C@@H1][C][N][C@@H1][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][N][C][Branch1][C][N][=O][C][=C][Ring1][O][C][Ring1][S][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][=N][Ring2][Ring1][#Branch2]
|
CHEMBL18138
|
[C][C][=Branch1][C][=O][N][C][=C][N][=C][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][=Branch1][C][=O][O][S][Ring2][Ring1][S].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17853
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][Ring1][#Branch2][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][C][O][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][Ring1][#Branch1][C][Ring1][O]
|
CHEMBL17875
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][Branch1][C][O][C][Ring1][=Branch1]
|
CHEMBL17876
|
[C][=C][C][O][C][C][N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
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