chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL4294635
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][O][O]
|
CHEMBL4294636
|
[C][C][Branch2][Ring1][#Branch2][C][S][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C][N][C][=Branch1][C][=O][N][C][Ring2][Ring1][#Branch1][=O]
|
CHEMBL4294637
|
[C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][N][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL4294638
|
[N][#C][C][=C][C][=C][C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch1][Ring1][N][C][C][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2]
|
CHEMBL4294639
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S]
|
CHEMBL4294640
|
[C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Branch2][Ring1][P][N][C][C][C][C][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][=Branch2]
|
CHEMBL4294726
|
[O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][N][Ring1][#C]
|
CHEMBL4294727
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][/N][=C][/C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][C@H1][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][C][=C][Ring1][P][F][C][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][S]
|
CHEMBL4294728
|
[C][C][C][C][C][O][C][=C][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL4294729
|
[C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][=N]
|
CHEMBL4294730
|
[C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C]
|
CHEMBL4294802
|
[C][O][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=N][/N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL4294803
|
[C][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
|
CHEMBL4294804
|
[O][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][Branch2][Ring1][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][O][Ring1][S]
|
CHEMBL4294805
|
[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][C][C][=C][N][Branch2][Branch1][=C][C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][N][=N][Ring2][Ring2][Branch2]
|
CHEMBL4294806
|
[C][C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=N][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C]
|
CHEMBL4294807
|
[C][C][Branch1][C][C][N][Branch1][C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
|
CHEMBL4294891
|
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][Branch1]
|
CHEMBL4294892
|
[C][C][Branch1][C][O][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
|
CHEMBL4294893
|
[C][C][Branch1][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C@@][Branch1][C][C][C@H1][Ring1][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@H1][C][C@@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Ring1][P][Branch1][C][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C]
|
CHEMBL4294894
|
[O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][N][=C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][S][Ring1][N]
|
CHEMBL4294986
|
[F][C][=C][C][=C][C][Branch2][Ring2][#C][C][N][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][S]
|
CHEMBL4294987
|
[O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][=N][N][C][C][=C][N][=C][Branch1][C][Br][S][Ring1][=Branch1][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C]
|
CHEMBL4294988
|
[C][C][C][C][C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][O]
|
CHEMBL4294989
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O]
|
CHEMBL4295073
|
[C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][N]
|
CHEMBL4295074
|
[C][C][N][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][Ring1][#C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C]
|
CHEMBL4295075
|
[C][C@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O]
|
CHEMBL4295076
|
[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F]
|
CHEMBL4295077
|
[C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P]
|
CHEMBL4295078
|
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][P][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL4295157
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4295158
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch2][Ring1][Ring1][C][C][C][C][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL4295159
|
[C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][C][Ring2][#Branch1][=N][=O]
|
CHEMBL4295160
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][C][N][=C][N][=C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][N][C][=C][Ring2][Ring2][C]
|
CHEMBL4295161
|
[N][#C][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][C]
|
CHEMBL4295162
|
[C][C][C][N][C][=Branch1][C][=O][C][=C][N][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][#Branch1][C][C]
|
CHEMBL4295235
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][\C][C][C][/C][=Branch1][=C][=C][\C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL4295236
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][NH1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Ring1][P][C][#N]
|
CHEMBL4295237
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C]
|
CHEMBL4295238
|
[C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=N][/N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][N][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][#C]
|
CHEMBL4295239
|
[F][C][Branch1][C][F][C][C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][P]
|
CHEMBL4295240
|
[O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N]
|
CHEMBL4297327
|
[C][O][C][C][C][N][C][C][C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Branch1][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][O][Ring1][P][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL4297329
|
[C][C@][Branch1][C][O][C][C@@][Branch1][C][N][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][N][Branch1][N][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][P][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][#C]
|
CHEMBL4297330
|
[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][Ring1][N]
|
CHEMBL4297333
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL4297336
|
[C][11C][=Branch1][C][=O][O]
|
CHEMBL4297529
|
[C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL4297530
|
[C][C][O][C@@H1][Branch2][Ring2][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O]
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CHEMBL4297532
|
[C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring1][P][C][S][S][C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][N][C][Ring2][Branch2][#C][=O]
|
CHEMBL4297538
|
[C][O][C@@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C@@H1][C][C][C@@][Branch2][Ring1][#Branch2][C][N][C][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL4297540
|
[N][#C][C][C][C][S][C][=Branch1][C][=N][N]
|
CHEMBL4293941
|
[C][C][C][Branch1][C][C][C][C][=N][C@@H1][Branch2][Ring1][O][C][C][C][C][N][C][C@@H1][Branch1][C][C][N][Branch1][#Branch2][C][C][C][C][C][Branch1][C][C][C][C][Ring1][=N][=S][C][N][Ring2][Ring1][#Branch1]
|
CHEMBL4293942
|
[C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][C][C][Ring1][Ring1]
|
CHEMBL4293943
|
[C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][Branch2][C][=N][C][=C][Branch1][#Branch1][N][=C][Ring1][=Branch1][Ring1][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][#Branch1]
|
CHEMBL4293944
|
[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][/C][=N][/N][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL4293945
|
[C][O][C][=C][C][=C][C][Branch2][=Branch2][Branch2][N][C][=C][Branch2][Branch2][=N][C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][O][O][C@@H1][O][C@H1][Branch2][Ring1][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][N][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][P][C][C][C@@][Ring2][Ring2][Branch1][Branch1][C][C][C@][Ring2][Ring2][#Branch2][Branch1][C][C][C][C][Ring2][Branch1][Branch1][N][=N][Ring2][Branch1][=C][=C][Ring2][=Branch1][Ring2]
|
CHEMBL4294021
|
[C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][C][C][N][C][=C][Ring1][P][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1]
|
CHEMBL4294022
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][Ring1][O][N][=C][Branch1][P][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P]
|
CHEMBL4294023
|
[C][C][Branch1][C][C][C][C][=C][N][N][=C][N][=C][Branch2][Ring1][Ring2][N][C@H1][C][C][C@H1][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
CHEMBL4294024
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][P][C][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Branch1][C][Cl][=C][Ring2][Ring1][=C][Cl]
|
CHEMBL4294025
|
[C][C][C][N][Branch1][Branch1][C][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL4294097
|
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S]
|
CHEMBL4294098
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL4294099
|
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch1][=Branch2][N][C@@H1][C][C][N][C][Ring1][Branch1][=N][Ring1][N]
|
CHEMBL4294100
|
[O][=S][=Branch1][C][=O][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL4294185
|
[C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][O]
|
CHEMBL4294186
|
[C][C][=C][NH1][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][N].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4294187
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4294188
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S]
|
CHEMBL4294189
|
[N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch3][Ring1][Ring1][#Branch2][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][S][#Branch2][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][=N][=C][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][O][C][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][Branch2][=Branch1][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][Branch1][#Branch2][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch1][#C][O][C@H1][Ring2][#Branch2][Ring1][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][=Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][#C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch2][Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][P][O][C@H1][Branch1][C][O][C@H1][Ring2][O][#Branch2][O][N][=N][Ring2][N][Branch1]
|
CHEMBL4294281
|
[O][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL4294282
|
[O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][S][C][C][Ring1][=Branch1]
|
CHEMBL4294283
|
[C][O][C][=C][C][=N][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O][C]
|
CHEMBL4294284
|
[C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring1][P]
|
CHEMBL4294285
|
[C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][F][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Branch1][Ring1][C][#N][C][Ring1][=Branch2]
|
CHEMBL4294374
|
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][P][C][=Branch1][C][=O][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=C][Branch1][C][N][N][Ring2][Ring1][#Branch2]
|
CHEMBL4294375
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][O][Ring1][Branch2][C][=C][Ring1][S]
|
CHEMBL4294376
|
[C][C][C][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][Ring1][P][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C]
|
CHEMBL4294377
|
[C][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
|
CHEMBL4294461
|
[C][C][Branch2][Ring2][N][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][C][Ring2][Ring1][=N]
|
CHEMBL4294462
|
[N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=C][C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][=N][=C][Ring2][Ring1][=Branch1][F]
|
CHEMBL4294463
|
[C][C][Branch1][C][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL4294464
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Branch1][P][C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][C][=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][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][N][=N][Ring2][Ring2][#Branch1]
|
CHEMBL4294465
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL4294555
|
[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL4294556
|
[C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][C][C][Ring1][Ring1]
|
CHEMBL4294557
|
[C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch2][Branch1][Branch2][N][C][=C][Branch2][Ring2][=N][C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][C@@][C][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][Branch2][C][C][C@@H1][Ring1][=C][Ring1][=Branch2][C][Ring1][#Branch2][N][=N][Ring2][Ring1][=N][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring2][O][O][C][Branch1][C][C][=O]
|
CHEMBL4294558
|
[C][C][C][O][C][=C][C][=C][C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=Branch1]
|
CHEMBL4294641
|
[C][C][N][C][=C][Branch1][O][C][C][C][N][C][=Branch1][C][=N][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL4294642
|
[F][C][Branch1][C][F][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring2][C]
|
CHEMBL4294643
|
[C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O]
|
CHEMBL4294644
|
[C][C][Branch1][C][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@@H1][Branch1][C][O][C][Ring1][Branch2]
|
CHEMBL4294645
|
[C][O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1]
|
CHEMBL4294731
|
[O][=C][Branch1][#C][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4294732
|
[F][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][F]
|
CHEMBL4294733
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL4294734
|
[C][C][=C][C][Branch1][=N][/C][=C][\N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][Branch1][C][C][N][Ring1][=C][C][=C][C][=C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][S]
|
CHEMBL4294735
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C]
|
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