chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL4434803
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][Branch1][C][C][C]
|
CHEMBL4434804
|
[C][N][C][C][C][C][Branch1][C][O][Branch2][Ring1][=N][C][#C][C][=C][C][Branch1][P][N][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][Ring1][#Branch2][=C][C][=N][Ring1][S][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL4434805
|
[C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Ring1][=N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL18685
|
[N][C@@H1][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL18686
|
[N][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Ring1][Branch2]
|
CHEMBL18616
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=Ring1][O][O][C][O][C][Branch1][Ring1][C][O][=C][C][=Branch1][C][=O][C][=Ring1][=Branch2][O][C][=C][Ring2][Ring1][=N]
|
CHEMBL18617
|
[C][N][C][=N][C][=C][Branch2][Ring1][Branch1][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O]
|
CHEMBL18618
|
[C][=C][C][=C][S][C][Branch2][Ring1][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][O][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL18704
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=O][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18459
|
[C][=C][C][=C][N][=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][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
|
CHEMBL18460
|
[O][=C][Branch1][C][O][C][=C][C][=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]
|
CHEMBL18462
|
[O][=C][Branch1][C][O][C][C][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=Ring1][=N][C][C][=C][O][C][=Ring1][Branch1]
|
CHEMBL18542
|
[C][C][C][C][C][C][C][Branch1][C][O][C][N]
|
CHEMBL18544
|
[C][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][Ring2][Ring1][=Branch1]
|
CHEMBL18393
|
[C][S][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][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][Ring2][Ring1][=Branch2]
|
CHEMBL18394
|
[C][C][C][C][=C][C][Branch1][C][C][=C][O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][C][Ring1][#C][=C][Ring2][Ring1][Ring2][O]
|
CHEMBL1163493
|
[C][C][Branch1][C][C][=C][C][N+1][=C][N][=C][C][Branch1][P][N][=C][N][Ring1][Branch1][C@H1][C][C][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][Ring1][S][N].[Br-1]
|
CHEMBL18483
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18484
|
[C][C][C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch1]
|
CHEMBL18687
|
[C][C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]
|
CHEMBL18688
|
[O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
|
CHEMBL18771
|
[C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL18772
|
[C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring1][S]
|
CHEMBL18773
|
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O]
|
CHEMBL18774
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=Ring1][O][O][C][=C][Ring2][Ring1][=C]
|
CHEMBL18705
|
[C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18707
|
[N][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][Ring1][N]
|
CHEMBL18708
|
[C][C][Branch2][Ring1][P][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18793
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][#C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=N][Ring1][#C]
|
CHEMBL18545
|
[N][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL18546
|
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][O]
|
CHEMBL18547
|
[C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][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][=C][Ring2][Ring1][N].[K+1]
|
CHEMBL18548
|
[C][C][Branch1][C][C][O][C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][Ring1][S][=O]
|
CHEMBL18289
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=C][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][P]
|
CHEMBL18485
|
[C][C][C][C][C][C][Branch1][C][C][N+1][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][C][O][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl-1]
|
CHEMBL18486
|
[O][=C][C][C][C][C][C][C][C][C][C][Ring1][=Branch2]
|
CHEMBL1075655
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CHEMBL18842
|
[C][=C][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][N][=C][Branch2][Ring1][#Branch1][C][=C][NH1][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][#Branch1][=O]
|
CHEMBL18843
|
[C][C][C][C][C][Branch1][C][O][C][N]
|
CHEMBL18844
|
[C][C][Branch1][C][C][C][N][C][=N][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=Ring1][Branch2][Ring1][S]
|
CHEMBL18775
|
[C][C][C][C][O][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]
|
CHEMBL18776
|
[C][C][N][C][C][C][N][C][C][N][Branch1][#Branch1][C][C][C][N][C][C][C][C][Ring1][N]
|
CHEMBL18863
|
[C][C][C][C][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][N+1][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C].[Br-1]
|
CHEMBL18864
|
[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][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18883
|
[C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch2][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][O][C][=C][Ring1][=N]
|
CHEMBL18613
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][O][/C][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL18614
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18290
|
[C][O][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][C][O][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C]
|
CHEMBL18292
|
[N][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][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[K+1]
|
CHEMBL18293
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Branch1][O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C][Cl].[Na+1]
|
CHEMBL18377
|
[C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18845
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C]
|
CHEMBL18846
|
[C][C][Branch1][C][C][C][N][C][=C][C][=C][C][Branch1][P][C@@H1][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][S][O][Ring2][Ring1][Ring1]
|
CHEMBL18847
|
[O][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL18570
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][Branch1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#C]
|
CHEMBL18571
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][C][Ring1][#Branch2]
|
CHEMBL18865
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O]
|
CHEMBL18866
|
[C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][=N][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][P]
|
CHEMBL18595
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][NH1][C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=N][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18596
|
[C][O][C][C@H1][O][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Branch1][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#C][Ring1][#Branch1][C@][Ring2][Ring1][Branch1][Ring2][Ring1][=N][C]
|
CHEMBL18355
|
[C][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C]
|
CHEMBL18357
|
[C][=C][O][C][Branch2][Ring1][S][C][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring2][C]
|
CHEMBL18359
|
[C][O][C][=C][C][=C][Branch2][Ring2][P][C][Branch1][C][O][C][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][N][O][C]
|
CHEMBL18442
|
[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][=C][Ring2][Ring1][Branch1][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C]
|
CHEMBL18443
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][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]
|
CHEMBL18444
|
[C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][N]
|
CHEMBL18378
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][O][C][C][Ring1][Ring2][C][C][O][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring2][Ring1][C][C][Ring1][#C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL18380
|
[C][C][C][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][N][=C][Ring2][Ring1][=C][O]
|
CHEMBL18381
|
[C][=Branch2][Ring1][Ring1][=C][/C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O][\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]
|
CHEMBL18465
|
[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][Ring2][Ring1][=Branch1]
|
CHEMBL18572
|
[C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL18573
|
[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1]
|
CHEMBL18575
|
[C][C][Branch1][C][C][O][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][Ring2][Ring1][C][=O]
|
CHEMBL18667
|
[C][C][#C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Branch1][C][Br][C][=C][Ring1][O][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL18597
|
[C][=C][C][Branch2][Ring1][=C][C][O][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][C][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring2][Ring1][S]
|
CHEMBL18689
|
[O][=C][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][C][N][Ring2][Ring1][Ring2][Ring1][Branch1]
|
CHEMBL18690
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][=N][C][N][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][NH1][C][=Ring1][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=N]
|
CHEMBL18445
|
[C][=C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1]
|
CHEMBL18446
|
[O][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C]
|
CHEMBL18527
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][NH1][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=N][C][=Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18466
|
[C][S][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][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][Branch1]
|
CHEMBL18467
|
[C][C][C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][Branch1][C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18468
|
[C][=C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1]
|
CHEMBL18469
|
[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][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][Ring2][Ring1][=Branch1]
|
CHEMBL18549
|
[C][C][C][C][C][C][C][Branch1][C][C][=O]
|
CHEMBL4434935
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][B][Branch1][C][O][O][C][Branch1][C][F][=C][Ring1][P]
|
CHEMBL4434936
|
[O][=C][Branch2][Branch1][Ring2][C][N][C][=C][Branch2][Ring2][C][/C][=C][/C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][P][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4434937
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][P][N][=N][Ring2][Ring1][#Branch1]
|
CHEMBL4434938
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
|
CHEMBL4434939
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C]
|
CHEMBL4434940
|
[N][#C][C][C][S][C][=N][N][Branch2][Ring1][Branch2][C@@H1][O][C@H1][Branch1][O][C][O][S][Branch1][C][N][=Branch1][C][=O][=O][C@@H1][Branch1][C][O][C@H1][Ring1][N][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1]
|
CHEMBL4434941
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18668
|
[C][C][Branch1][C][C][C][N][C][=N][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][NH1][N][=N][C][=Ring1][Branch1][Ring1][=N]
|
CHEMBL18669
|
[C][C][C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N]
|
CHEMBL18670
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][=C][Ring1][P]
|
CHEMBL18671
|
[C][=C][C][Branch2][Ring1][=C][C][O][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][C][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring2][Ring1][S]
|
CHEMBL18754
|
[C][N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL18691
|
[C][C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL4434944
|
[Cl][C][=C][C][=C][N][=C][Branch1][=N][/C][=C][/C][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4434945
|
[C][C][C@@H1][C][C@@H1][Branch1][C][O][C][C@H1][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][C][N][Ring2][Ring1][#Branch2][Ring2][Ring1][#C]
|
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