chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL19607
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][C][N][Ring1][=Branch1]
|
CHEMBL19608
|
[N][C][C@H1][O][C@@H1][Branch2][Branch1][=Branch1][O][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C@@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][Ring1][=C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][O]
|
CHEMBL4434835
|
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][=N][Ring2][Ring1][C]
|
CHEMBL4434836
|
[C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C@@H1][C][Branch1][C][C][Branch1][C][C][C@@][Ring1][Branch1][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C@][Ring1][=C][Branch1][C][C][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C]
|
CHEMBL19305
|
[C][=C][C][=C][C][=N][C][=N][C][Ring1][Branch1][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL19510
|
[N][C][C@H1][O][C@@H1][Branch2][Branch1][Branch2][O][C@@H1][Branch2][Ring1][O][C][N][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@@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][Ring1][=C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Branch2][O]
|
CHEMBL19527
|
[C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O]
|
CHEMBL19528
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][N][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL19530
|
[C][O][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][NH1][Ring1][=C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][O][Ring1][=Branch2]
|
CHEMBL19617
|
[C][C][Branch1][C][C][Branch2][Ring1][=C][C][C][C][O][C][=C][C][=C][Branch1][#C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
|
CHEMBL18992
|
[C][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
|
CHEMBL18993
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][#N][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL19074
|
[C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][P]
|
CHEMBL19075
|
[C][O][C][=Branch1][C][=O][C@H1][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][C@H1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2].[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]
|
CHEMBL19076
|
[C][N][C][Branch1][C][Br][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][=C][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL19077
|
[N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL19010
|
[I][C][=C][C][=C][Branch1][=N][C][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][S]
|
CHEMBL19012
|
[C][C][Branch2][Ring1][P][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL19014
|
[F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL19100
|
[C][S][C][C][=C][N][Branch2][Ring1][Ring1][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][Ring1][#C][C][=Branch1][C][=O][O]
|
CHEMBL19306
|
[C][=C][C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][C][C][C][N][=N][NH1][N][=Ring1][Branch1]
|
CHEMBL19307
|
[C][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][Branch1][C][C][=O]
|
CHEMBL19308
|
[C][O][C][=C][C][=C][NH1][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][=C][Ring2][Ring1][C]
|
CHEMBL19309
|
[C][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][N][C@@H1][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C]
|
CHEMBL19619
|
[C][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][Branch1][C][F][=C][Ring1][#Branch2]
|
CHEMBL19620
|
[C][C][C][Branch1][C][C][Branch1][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C]
|
CHEMBL19621
|
[O][=C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL19328
|
[C][C][C][Branch1][C][N][C][N][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][Cl]
|
CHEMBL19078
|
[C][C][=Branch1][C][=O][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][C][C][C][#N]
|
CHEMBL19079
|
[O][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL19168
|
[C][C][=Branch1][C][=O][N][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][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C]
|
CHEMBL19169
|
[C][C][Branch2][Ring1][Branch1][/N][=C][Branch1][Ring2][\N][C][#N][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL4434924
|
[C][O][C][=C][C][Branch1][N][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][/C][=C][\C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][P]
|
CHEMBL4434925
|
[O][=C][Branch2][Ring1][C][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][N]
|
CHEMBL4434926
|
[C][C][=C][C][=C][Branch2][Ring2][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][N][C][Ring1][#Branch1][=O][=C][C][=N][Ring1][S][C][=C][Ring2][Ring1][O]
|
CHEMBL19170
|
[N][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][Ring1][O]
|
CHEMBL19101
|
[C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][S]
|
CHEMBL19102
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL19103
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][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][Ring2][=N][Ring2][Ring2][#Branch2]
|
CHEMBL19104
|
[C][C][Branch2][Ring1][P][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL19105
|
[C][C][C][Branch1][C][C][Branch1][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Cl]
|
CHEMBL19400
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1]
|
CHEMBL19401
|
[O][=C][Branch1][C][O][C][N+1][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C].[Br-1]
|
CHEMBL19402
|
[C][C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][N][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL19403
|
[N][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=O]
|
CHEMBL19404
|
[C][O][C][=C][C][NH1][C][Branch1][C][O][=N][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][C][#C][C][N][C][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C]
|
CHEMBL4434930
|
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][I][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4434931
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][Branch2][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][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][S][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][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][C@H1][Branch1][Ring1][C][O][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][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][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@H1][Branch1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O]
|
CHEMBL4434932
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@@H1][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][N][C][=Branch1][C][=O][O]
|
CHEMBL4434933
|
[C][C][C][N][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL4434934
|
[C][=C][C][C][=C][C][Branch1][O][/C][=N][\C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][Branch1][P][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][C][C][=C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch2]
|
CHEMBL19329
|
[N][C@@H1][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL19330
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2]
|
CHEMBL19331
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1]
|
CHEMBL1163502
|
[C][O][C][=Branch1][C][=O][/C][=C][\C][C@H1][C@@H1][C][C][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][Ring1][O][C@@][Branch1][C][C][C][C][/C][=Branch1][=Branch1][=N][\O][C][C][N][C][C@H1][Ring2][Ring1][=Branch2][Ring1][N].[Cl]
|
CHEMBL19426
|
[O][=C][Branch2][Ring1][=N][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][=C][C][=C][O][Ring1][Branch1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL19427
|
[C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O]
|
CHEMBL19171
|
[C][C][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][S][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][Branch2]
|
CHEMBL19172
|
[Br][C][=C][C][=C][Branch1][=N][C][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][S]
|
CHEMBL19173
|
[C][=C][C][=C][Branch1][=N][C][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][S]
|
CHEMBL19259
|
[O][=C][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]
|
CHEMBL19260
|
[C][C][N][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][Ring1][C][C][N][Ring1][#Branch1]
|
CHEMBL19190
|
[C][C][=C][N][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][=N+1][Ring2][Ring2][C][O-1]
|
CHEMBL19191
|
[N][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=Ring1][=N][Ring1][Branch1]
|
CHEMBL19192
|
[C][C][Branch1][C][C][Branch1][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL19193
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][C][C][Ring1][P]
|
CHEMBL19194
|
[C][C][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][C][O][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=Ring1][=N][Ring2][Ring1][O]
|
CHEMBL19405
|
[C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O]
|
CHEMBL19502
|
[C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][N][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL19503
|
[C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring1][N][C][C][Ring2][Ring1][C]
|
CHEMBL19504
|
[C][C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1]
|
CHEMBL19506
|
[O][C][=N][C][=C][C][Branch2][Ring1][#Branch2][C][#C][C][N][C][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch1][NH1][Ring2][Ring1][#Branch2]
|
CHEMBL19428
|
[N][C][C][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL19430
|
[C][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][N][N][=N][C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1].[Na+1]
|
CHEMBL19431
|
[N][C][C][=C][N][Branch1][S][C][C][S][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][O][Ring1][=Branch2][C][=Branch1][C][=O][N][=Ring1][S]
|
CHEMBL19432
|
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][P][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][=C][Ring1][P]
|
CHEMBL19531
|
[C][N][C@H1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][=C][Branch1][Ring1][S][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch2]
|
CHEMBL19532
|
[C][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O]
|
CHEMBL19262
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][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]
|
CHEMBL19263
|
[C][C@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL19264
|
[N][C][C][C][=C][NH1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1]
|
CHEMBL19265
|
[C][C][Branch2][Ring1][O][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18994
|
[C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=O]
|
CHEMBL18995
|
[N][#C][C][C][C][O][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][=O]
|
CHEMBL18926
|
[C][C][O][C][=Branch1][C][=O][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][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18927
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL18928
|
[N][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][Ring1][N]
|
CHEMBL18930
|
[C][N][C][C][C][Branch2][Ring1][Branch1][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2]
|
CHEMBL18931
|
[C][C@@H1][Branch2][Ring1][N][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Cl][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL19507
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL1163503
|
[O][=C][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O][C][=C][Ring1][#C][/C][Ring2][Ring1][C][=C][/N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=N][\O][C][C][Branch1][C][O][C][O]
|
CHEMBL19609
|
[C][C][=N][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][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]
|
CHEMBL19433
|
[C][N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][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][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][P]
|
CHEMBL19436
|
[N][#C][C][C][C][O][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][O]
|
CHEMBL19537
|
[C][C][C][N+1][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C].[Br-1]
|
CHEMBL19538
|
[C][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][Branch1][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch2]
|
CHEMBL18996
|
[C][C][Branch1][C][C][Branch1][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL18997
|
[C][C][O][C][=Branch1][C][=O][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][Branch1][S][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
|
CHEMBL18998
|
[N][C][C][C][=C][NH1][C][=N][Ring1][Branch1].[S][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][C][C][Ring1][O]
|
CHEMBL19080
|
[C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][N][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O]
|
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