chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL17719
|
[C][C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL17720
|
[O][=S][N][C][Branch1][#C][C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][O][Ring1][#C]
|
CHEMBL17721
|
[O][C][C][C][C][C][C][C][Branch1][C][Br][C][C][C][C][C][O]
|
CHEMBL17722
|
[C][O][C][=Branch1][C][=O][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]
|
CHEMBL17723
|
[C][C][=N][N][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][C][=N][N][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL17724
|
[C][C][Branch1][C][C][O][C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Ring2][Ring1][C][=O]
|
CHEMBL17478
|
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17479
|
[N][C][=N][C][Branch1][C][N][=C][C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][NH1][C][Ring1][P][=N][Ring2][Ring1][=Branch1]
|
CHEMBL17480
|
[N-1][=N+1][=N][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17227
|
[N][=C][Branch1][C][N][N][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL17228
|
[C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL17768
|
[C][C][Branch1][C][C][O][C][Branch1][S][/C][=C][/C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][Ring1][P][=O]
|
CHEMBL17770
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][=C][Ring1][=Branch1][O][C]
|
CHEMBL17503
|
[C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL3309903
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring2][Ring1][#Branch1][=O]
|
CHEMBL3309904
|
[C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][Branch2]
|
CHEMBL17786
|
[C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][C][C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
|
CHEMBL17787
|
[O][=C][Branch2][Ring1][O][N][C][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][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17788
|
[C][C][Branch1][C][C][C@@H1][C@H1][Branch2][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][S][Ring2][Ring2][Ring2][=Branch1][C][=O][=O]
|
CHEMBL17789
|
[C][C][C][Branch1][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]
|
CHEMBL17523
|
[C][C][=C][C][Branch1][C][C][=C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Cl][C][Branch1][C][C][=C][Ring1][#C]
|
CHEMBL4543432
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][B][Branch1][C][O][O][C][=C][Ring2][Ring1][C]
|
CHEMBL4543433
|
[O][=C][Branch2][Ring1][N][N][C][=C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Ring1][N][=C][Ring1][S][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2]
|
CHEMBL4543434
|
[O][=C][Branch1][Branch2][C][=C][N][=C][NH1][Ring1][Branch1][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N]
|
CHEMBL17524
|
[C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Cl][C][Branch1][C][C][=C][Ring1][S][C]
|
CHEMBL17542
|
[C][C][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][N][=C][N][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=N][=O][C][C][C][Ring1][Branch2]
|
CHEMBL17543
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][Ring2][Ring1][Branch1]
|
CHEMBL17544
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N]
|
CHEMBL17545
|
[O][=C][Branch1][C][O][C][C][C][S][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL17546
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL17547
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch1][S][C][C][O][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C][C][Ring2][Ring1][Branch1]
|
CHEMBL17229
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][C][=N][S][C][Branch1][Ring2][N][C][#N][=N][Ring1][Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O]
|
CHEMBL17230
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C@@][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][=O][C][C@@H1][Ring1][#C][O][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][Branch1][C][C][C][C][Branch1][C][O][C][Branch1][C][C][O][Ring1][P]
|
CHEMBL17231
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][N][=C][Branch1][C][O][S][C][Ring1][O][=Ring1][=Branch1]
|
CHEMBL17232
|
[N][C][=N][C][Branch1][C][N][=C][C][Branch2][Ring2][Ring1][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][=C][NH1][C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][=C]
|
CHEMBL17309
|
[C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Cl]
|
CHEMBL17505
|
[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][P][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2]
|
CHEMBL17507
|
[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][C][Branch1][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1]
|
CHEMBL17588
|
[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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL4543453
|
[N][C][C][C][C][Ring1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2]
|
CHEMBL17525
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=C][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Cl][C][=C][Ring1][#C]
|
CHEMBL17526
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Branch1][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][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][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#C][=O][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL17527
|
[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][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1].[Na+1]
|
CHEMBL17611
|
[C][C][=N][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][C][=N][N][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL17612
|
[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@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][C][O][C][Ring1][Branch1]
|
CHEMBL17291
|
[O][=C][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL17293
|
[N][C][=Branch1][C][=O][N][Branch1][C][O][C][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]
|
CHEMBL17374
|
[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][O][C][#C][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1]
|
CHEMBL17375
|
[O][=S][N][C][Branch2][Ring1][Branch1][C][C][=C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][O][Ring1][Branch2][=N][O][Ring1][P]
|
CHEMBL17376
|
[N][#C][/N][=C][\N][Branch2][Ring1][Ring2][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][N][Ring2][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL17310
|
[C][S][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][N][Branch1][S][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][C][S][Ring1][=C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL17311
|
[C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C]
|
CHEMBL17117
|
[C][C][Branch1][C][C][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17312
|
[C][N][C][C][N][Branch2][=Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][C][=C][C][=C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2][=C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring2][=N]
|
CHEMBL17395
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][C][C@H1][Branch2][Ring1][#C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL17589
|
[O][=C][Branch1][C][O][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]
|
CHEMBL17590
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring2][#Branch2][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][Ring2][Ring1][=N]
|
CHEMBL17591
|
[C][C][Branch1][C][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][=C][Ring2][Ring1][S]
|
CHEMBL3309905
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL17613
|
[C][C][C][=Branch1][C][=O][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][=C][Ring2][Ring1][S]
|
CHEMBL17614
|
[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][C][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O]
|
CHEMBL17615
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][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][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][N][C][Ring1][=Branch1][=O]
|
CHEMBL17617
|
[F][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][=C][N][Branch1][#C][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][S][Ring1][=N][=C][Ring2][Ring1][Branch1]
|
CHEMBL17618
|
[C][N][Branch2][Ring2][N][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][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17701
|
[N][C][=N][C][Branch2][Ring1][S][N][C][C][C][C][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][P][Ring1][=Branch1]
|
CHEMBL17378
|
[C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL4543465
|
[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]
|
CHEMBL17458
|
[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1]
|
CHEMBL17460
|
[C][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL17462
|
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL17396
|
[N][#C][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17397
|
[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][N][Ring2][Ring1][Branch1][C][C]
|
CHEMBL17398
|
[C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch2][Ring1][#C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL17399
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL17146
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]
|
CHEMBL17679
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]
|
CHEMBL17680
|
[N][C][=C][C][=C][Branch2][Branch1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C][N][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][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][Branch2][Ring2][Ring1][O][C][=N][Ring2][Ring2][Branch1]
|
CHEMBL17681
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C@@H1][C@@H1][C][C][C][C][C@][Ring1][O][Ring1][=Branch1][C][C][N][Ring1][#Branch2][C]
|
CHEMBL17682
|
[N][C][=N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][O][C][C][O][C][=C][Ring1][N][F]
|
CHEMBL17683
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][P][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][C][=O]
|
CHEMBL4543490
|
[N][C][=C][C][=C][Branch2][Ring2][=N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL4543491
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][/C][=Branch1][Ring1][=N][/O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
|
CHEMBL4543492
|
[C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=N][/C][=C][/C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl]
|
CHEMBL3309268
|
[C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][Branch2]
|
CHEMBL17703
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C@H1][Ring2][Ring1][Branch1][O]
|
CHEMBL17704
|
[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][C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL17706
|
[C][N][C][C][N][Branch2][Branch1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][=Branch2]
|
CHEMBL17791
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][NH1][Ring1][=C]
|
CHEMBL17463
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL17464
|
[C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL17211
|
[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][=C][Ring2][Ring2][Ring2]
|
CHEMBL17212
|
[O][=C][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][/C][Ring1][=N][=C][\C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL17213
|
[C][N][C][C][C][Branch2][Ring1][=C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL17147
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][Branch1][C][O][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][O][C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL17149
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][C][N][=C][N][Branch2][Ring1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][S][Ring1][S][C][=C][Ring2][Ring1][Branch2][O][C]
|
CHEMBL17772
|
[O][=S][N][C][Branch2][Ring1][Ring1][C][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][=N][O][Ring1][P]
|
CHEMBL17773
|
[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]
|
CHEMBL17774
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17775
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][Ring1][C][O][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL17776
|
[C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1]
|
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