chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL3310006
|
[C][C][=C][C][=C][Branch2][Ring2][C][C@@H1][C][C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][=N][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL17792
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][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]
|
CHEMBL17528
|
[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][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL17530
|
[C][N][Branch1][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]
|
CHEMBL17214
|
[C][C][=C][C][=C][N][=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][S][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL17215
|
[N][C][C][C][NH1][C][=N][C][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17294
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring2][NH1][C][=Ring2][Ring1][=Branch2][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][P][=O]
|
CHEMBL17234
|
[O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][Ring2][Ring1][C]
|
CHEMBL17235
|
[N][C][=N][C][Branch1][C][N][=C][C][Branch2][Ring1][Ring2][C][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][=C][O][C][Ring1][S][=N][Ring2][Ring1][Branch1]
|
CHEMBL17236
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][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]
|
CHEMBL17707
|
[O][=S][N][C][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][O][Ring1][S]
|
CHEMBL18356
|
[C][O][C][=C][C][=C][Branch2][Ring2][=N][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][=C][Ring1][Branch2][C][=C][Ring2][Ring2][#Branch2]
|
CHEMBL17777
|
[N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O]
|
CHEMBL17508
|
[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][Branch1][C][F][=C][Ring1][#Branch1]
|
CHEMBL17509
|
[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][O]
|
CHEMBL3310007
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C@@H1][Ring1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL4543557
|
[C][N][C][=N][C][=C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=C][=C][NH1][Ring2][Ring1][C]
|
CHEMBL4543558
|
[C][C][C][C][Branch1][C][C][=N][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][NH1][C][=Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]
|
CHEMBL4543559
|
[O][=C][Branch2][Ring1][#Branch2][O][C][=C][C][=C][C][Branch1][#C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][=C][Ring1][=C][N][C][C@H1][C][C@@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4543560
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][O][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring2][C]
|
CHEMBL17531
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=C][N][Branch1][S][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][S+1][Ring1][=C][O-1][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL17619
|
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=S][N][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]
|
CHEMBL17620
|
[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][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][=C][Ring2][Ring1][#C][C][C][Ring2][Branch1][C]
|
CHEMBL17621
|
[C][C][C][C][C@H1][C@@H1][Branch2][Branch1][Ring1][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][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][Branch1][=Branch1][C][=O][=O]
|
CHEMBL17622
|
[O][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][#C][C][=C][C][=C][S][Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][=Branch1]
|
CHEMBL17623
|
[O][=C][Branch2][Ring1][O][C][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]
|
CHEMBL17297
|
[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1]
|
CHEMBL17380
|
[C][C][=N][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17381
|
[C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=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]
|
CHEMBL3310073
|
[C][O][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][Ring1][Branch2]
|
CHEMBL17314
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][/C][Branch1][C][O][=C][Branch1][Ring1][\C][#N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL17315
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]
|
CHEMBL4543569
|
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][Ring1][N][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4543570
|
[C][O][C][=C][C][Branch2][Branch1][=Branch1][C][Branch1][C][O][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring2][Ring2][#Branch2]
|
CHEMBL4543571
|
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][N][Cl]
|
CHEMBL4543572
|
[C][C][=N][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=Branch1][C][=O][N][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][Ring1][=N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][Ring2][Ring1][O]
|
CHEMBL4543573
|
[C][C][=N][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2]
|
CHEMBL4543574
|
[C][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C@@H1][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL17316
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][/C][Branch1][C][O][=C][Branch1][Ring1][\C][#N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL17400
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][S][C][N][=C][N][Branch2][Ring1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][S][Ring1][S][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17592
|
[C][C][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17593
|
[C][C][C][=Branch1][C][=O][N][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]
|
CHEMBL17594
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][P]
|
CHEMBL17595
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C@H1][Ring2][Ring1][Ring1][O]
|
CHEMBL3310008
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C@H1][Ring1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL17624
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][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][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL17709
|
[C][N][Branch1][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]
|
CHEMBL17710
|
[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][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C]
|
CHEMBL17711
|
[C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL3310029
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][\N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL17383
|
[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][O][C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][=C]
|
CHEMBL17465
|
[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][F]
|
CHEMBL17466
|
[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][NH1][N][=Ring1][Branch1][=C][Ring1][=C][C][Ring2][Ring1][Ring2]
|
CHEMBL17401
|
[C][C][=N][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL17402
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL17403
|
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][O]
|
CHEMBL17596
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][O][C][=Branch1][C][=O][C][Cl][C][Ring2][Ring1][Ring1][=N]
|
CHEMBL17685
|
[Br][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=C][N][Branch1][#C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][S][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL17686
|
[C][C][O][P][=Branch1][C][=O][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2][O][C][C]
|
CHEMBL3310010
|
[C][C][=C][C][=C][Branch2][Ring2][C][C@@H1][C][C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][=N][N][Ring1][=N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][O]
|
CHEMBL17712
|
[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][F]
|
CHEMBL17713
|
[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]
|
CHEMBL17795
|
[C][C][C][C][N][C][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][Branch1]
|
CHEMBL17796
|
[C][C][C][C][C][C][N][C][=N][C][=C][Ring1][Branch1][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@H1][Ring1][Branch2][C][/C][=C][\C][C][C][=Branch1][C][=O][O]
|
CHEMBL17797
|
[C][C][Branch1][C][C][O][C][C@@H1][Branch1][O][C][/C][=C][\C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][Branch2][C][=C][N][=C][S][Ring1][Branch1][O][Ring2][Ring1][Ring2]
|
CHEMBL17467
|
[N].[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17468
|
[C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][NH1][C][=C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][Ring1][=N]
|
CHEMBL17469
|
[N][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]
|
CHEMBL17216
|
[C][C][C][C][C][C][C][C][C][#C][C][/C][=C][\C][=C][\S][C][C][C][C][=Branch1][C][=O][O][C]
|
CHEMBL17217
|
[C][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17151
|
[C][C][Branch1][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]
|
CHEMBL17152
|
[C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2]
|
CHEMBL17153
|
[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][C][=Branch1][C][=O][O]
|
CHEMBL17154
|
[C][C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@H1][Ring1][=Branch2][O][Ring1][Branch1]
|
CHEMBL17156
|
[O][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][O][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1]
|
CHEMBL17238
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][NH1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][C][=C][Ring1][=Branch2][=N][C][=Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL17688
|
[F][C][=C][C][=C][Branch2][Ring2][#Branch1][C][NH1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=N][C][=Ring2][Ring1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL17689
|
[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][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Cl].[Na+1]
|
CHEMBL17833
|
[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]
|
CHEMBL3310011
|
[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]
|
CHEMBL17798
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C@][Ring1][Ring1][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]
|
CHEMBL17800
|
[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][Branch2][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][#Branch2]
|
CHEMBL4543406
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1]
|
CHEMBL4543407
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][=N][C][=C][N][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][P][C][=C][Ring2][Ring1][N]
|
CHEMBL4543408
|
[C][C][Branch2][Ring1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL4543409
|
[C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
|
CHEMBL4543410
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][Ring1]
|
CHEMBL4543411
|
[C][C][=C][C][=N+1][Branch2][Ring2][=Branch1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N].[Cl-1]
|
CHEMBL1783900
|
[C][C][Branch1][C][C][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][C][Ring2][Ring1][Ring2]
|
CHEMBL17533
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][P][S][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]
|
CHEMBL17535
|
[O][=C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL17536
|
[C][O][C][=C][C][=C][C][Branch1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Cl][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C]
|
CHEMBL3310030
|
[C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][/N][=N][/N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17218
|
[C][C][S][C][=N][N][=C][Branch2][Ring1][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][#C][S][Ring2][Ring1][Ring2]
|
CHEMBL17219
|
[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1]
|
CHEMBL17220
|
[C][S][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17221
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL17298
|
[C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][=C][N][Branch2][Ring1][Ring1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][C][C][=C][Ring1][O][C][C][S][Ring1][P][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL17239
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][Branch1][C][C][C][O][C][C][Ring1][#Branch2]
|
CHEMBL17240
|
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][S][S][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Ring1][#C][=O]
|
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