chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL7535
|
[N][C][=N][C][Branch1][C][N][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL7465
|
[O][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][Ring2][Ring1][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL7552
|
[N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL7553
|
[C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N]
|
CHEMBL7554
|
[C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][N][C][=Branch1][C][=O][O][C][=C][Ring1][#C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL7555
|
[C][C][C][Branch1][Ring1][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P]
|
CHEMBL4553160
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4553161
|
[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][Ring2][#Branch1][=N][=O]
|
CHEMBL4553162
|
[C][O][C][C][N][C][C][N][Branch2][Ring2][Ring1][C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][O]
|
CHEMBL4553163
|
[C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][N][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL7576
|
[C][C][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O]
|
CHEMBL38
|
[C][C][=C][Branch2][Ring1][Ring2][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL7314
|
[C][C][C][C][/C][=Branch2][Ring1][=Branch1][=C][\C][N][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][S]
|
CHEMBL1163168
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][O]
|
CHEMBL7315
|
[C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring2][Ring1][#Branch1][Ring1][Branch2]
|
CHEMBL7696
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1]
|
CHEMBL7783
|
[N][C][=Branch1][C][=O][C][C][C][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][C][=Ring1][N][C][Branch1][C][Cl][=C][Ring1][P][O][Ring2][Ring1][Ring2]
|
CHEMBL7784
|
[C][C][Branch1][C][C][Branch2][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL7785
|
[O][=C][Branch1][C][O][C][C][C][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][C][Branch1][C][Cl][=C][Ring1][P][O][Ring2][Ring1][Ring2]
|
CHEMBL7786
|
[C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][=Branch1][Branch2][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring1][S][Ring1][O][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][P][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][C][O][C][Branch1][C][C][=O]
|
CHEMBL7787
|
[C][C][C][C][C][Branch1][C][C][Branch1][Ring2][O][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][O][C][=Branch1][C][=O][O]
|
CHEMBL7788
|
[C][N][C][=C][Branch2][Ring1][Ring2][C][=N][C][C@][Branch1][O][C][N][C][C][C@@H1][Ring1][=Branch1][C][Ring1][Branch1][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL3310871
|
[C][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=Branch2][C][C][C@@H1][Branch1][C][C][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]
|
CHEMBL7617
|
[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL7619
|
[O][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][=C]
|
CHEMBL7620
|
[C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C]
|
CHEMBL4553560
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL4553561
|
[O][C][C][S][C][=N][C][=Ring1][Branch1][Cl]
|
CHEMBL4553562
|
[C][C][C][C][C][C@@H1][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][Ring2][O][C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2][C@@H1][Branch1][Ring1][C][C][N][Branch1][Ring1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O]
|
CHEMBL4553563
|
[O][=C][Branch2][Branch1][C][/C][=C][/C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C][=N][C][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][=N][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][N][O]
|
CHEMBL7621
|
[C][N][Branch2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][#C][C][=C][N][=C][Branch1][C][N][N][=C][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][C][C][C][C][Ring1][Branch1]
|
CHEMBL7622
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL7556
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][Branch1][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][S]
|
CHEMBL7557
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C]
|
CHEMBL7640
|
[C][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][C][Ring1][S][=Ring1][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring2][Ring1][Branch1]
|
CHEMBL7641
|
[C][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]
|
CHEMBL7642
|
[N][C][C][C@H1][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=N][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7643
|
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1]
|
CHEMBL7316
|
[S][C][=N][C][Branch1][C][S][=C][C][=C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Ring1][P][=N][Ring2][Ring1][=Branch1]
|
CHEMBL7317
|
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL423
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][#Branch2][C][C][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=N]
|
CHEMBL449
|
[C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O]
|
CHEMBL8018
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][Ring1][S][C][C][Branch1][P][C][=C][C][=C][O][N][=C][Branch1][C][N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][O][Ring2][Ring2][C]
|
CHEMBL8019
|
[C][C][Branch1][C][C][Branch2][Branch1][Ring2][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL1163204
|
[C][N][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][N][Ring1][=N][C][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
|
CHEMBL8020
|
[O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][Ring2][Ring1][C][C][Ring1][S][=C][Ring1][=Branch1][Ring1][=C]
|
CHEMBL3310876
|
[O][=C][C][C][S][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][N][Ring1][#C][Ring1][O]
|
CHEMBL3310882
|
[O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
CHEMBL3310890
|
[N][=C][N][C][=Branch1][C][=O][C@][Branch2][Ring1][Ring1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][S][Ring1][S]
|
CHEMBL7355
|
[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][/N][=C][Branch1][C][\S][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#Branch2]
|
CHEMBL7356
|
[O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][Branch1][Branch2][O][C][C][C][C][C][I][=C][C][=C][Ring1][=N][NH1][Ring1][S]
|
CHEMBL7357
|
[C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL7358
|
[N][C][=N][C][Branch1][C][N][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=Branch2]
|
CHEMBL7359
|
[C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL7644
|
[C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][C][Ring1][S][=Ring1][Branch2]
|
CHEMBL7645
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][Ring1][N][=C][Ring1][S]
|
CHEMBL7646
|
[C][S][C][N][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][NH1][N][=C][Ring1][Branch2][N][=Ring1][=N]
|
CHEMBL7377
|
[O][=C][Branch2][Ring1][N][N][C@@H1][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL7378
|
[C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C@H1][Branch1][C][C][C@H1][Branch1][C][C][C][Ring1][P][=O]
|
CHEMBL7379
|
[C][C][C][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][Branch1][C][C][C]
|
CHEMBL7403
|
[N][C][=N][C][Branch1][C][N][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=Branch2]
|
CHEMBL7404
|
[C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#C]
|
CHEMBL7406
|
[C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=Branch2][Ring2][Branch2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][O][C][C][C][Ring2][Ring1][#C][=O]
|
CHEMBL7491
|
[O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][C][C][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][C]
|
CHEMBL7492
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL7493
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL7692
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
CHEMBL7693
|
[C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][#Branch1][C][Branch1][C][O][C][C][C][Branch1][Ring2][O][C][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][C][Ring1][=N][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2]
|
CHEMBL7694
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
CHEMBL3310891
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][/N][=C][/N][C][=Branch1][C][=O][C@][Branch2][Ring1][Ring1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][S][Ring1][S]
|
CHEMBL7442
|
[Cl][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][C][C][=N][N][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL7443
|
[O][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL4553659
|
[C][O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][P]
|
CHEMBL4553660
|
[C][N][C][C][/C][=C][/C@H1][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C@@H1][C][C][C@H1][Ring1][Ring2][C][N][C][C@@][Branch1][P][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C@@][Branch1][C][O][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring2][Branch1][=Branch1][=O]
|
CHEMBL4553661
|
[C][C][O][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][C][=Ring1][N][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][O][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][#N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#C]
|
CHEMBL7446
|
[C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7447
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Branch1][Ring1][Ring2][Ring2][S]
|
CHEMBL7448
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][Ring1][N][=C][Ring1][S][Br]
|
CHEMBL7449
|
[O][C][=C][C][=C][C][Branch1][#C][C][=C][C][C][N][C][C][C][C][C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL7380
|
[C][N][Branch1][C][C][C][C][C][N][C][=C][Branch2][Ring2][=Branch2][C][=C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][#Branch2][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][C]
|
CHEMBL4553679
|
[C][O][C][=C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring1][P][=Ring1][N]
|
CHEMBL7381
|
[O][C][=C][C][=C][C][Branch1][#C][C][C][C][C][N][C][C][C][C][C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL7382
|
[C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][O]
|
CHEMBL7466
|
[O][=C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL7467
|
[C][C][Branch1][C][C][Branch1][Branch2][C][N][C][Branch1][C][N][=O][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL7468
|
[C][=C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C@H1][Ring1][#Branch1][C][C][C][C][C][C][C][C].[Na+1]
|
CHEMBL7469
|
[O][=C][Branch1][C][O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL7495
|
[O][=C][Branch2][Ring2][Ring2][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL1163183
|
[C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch1][C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][=O][=C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][Branch1][Ring1][P]
|
CHEMBL7580
|
[C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Branch1][C][C][C]
|
CHEMBL439
|
[N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S]
|
CHEMBL7581
|
[C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL7867
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][#C]
|
CHEMBL7868
|
[C][C][N][N][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][O][Ring2][Ring1][=C]
|
CHEMBL1163195
|
[C][C][O][C][=Branch1][C][=O][/C][=C][\O][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
|
CHEMBL1784812
|
[O][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][N]
|
CHEMBL8016
|
[N].[N].[O][=C][Branch1][Ring1][C][Br][C][=C][N][Branch2][Ring1][=Branch1][C][C][C][Branch1][C][O][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring1][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][C][=O]
|
CHEMBL3310896
|
[C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][/N][C][=Branch1][C][=O][C@][Branch2][Ring1][Ring1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][S][Ring1][S][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL3310906
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL7537
|
[C][C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O]
|
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