chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL15002
|
[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][Ring1][Branch2]
|
CHEMBL15003
|
[C][C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][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]
|
CHEMBL15094
|
[N][#C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL15024
|
[C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15025
|
[C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15027
|
[O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][N][Ring1][N][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15115
|
[C][/C][=C][/C][=C][C][=C][Branch2][Ring1][P][O][C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N]
|
CHEMBL15052
|
[C][C@H1][C][N][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][Branch2][C][C][N][Ring2][Ring1][S]
|
CHEMBL15053
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][Branch1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O]
|
CHEMBL15134
|
[C][=C][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL15135
|
[C][C@H1][C][N][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][Branch2][C][C@@H1][Branch1][C][C][N][Ring2][Ring1][P]
|
CHEMBL15136
|
[C][C][C][N][Branch1][Ring2][C][C][C][C@@H1][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C@H1][Ring1][O][C]
|
CHEMBL14890
|
[C][C][C][C][/C][=Branch2][Ring1][C][=N][\N][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][=Branch2]
|
CHEMBL14891
|
[C][C@@H1][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][C][N][Ring2][Ring1][=N]
|
CHEMBL14893
|
[O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][N][Ring1][N][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14894
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=N][N][C][C][C][Branch1][Ring2][C][N][C][C][Ring1][Branch2][C][=C][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL14620
|
[O][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][Branch1][C][O][=C][Ring1][=C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15096
|
[C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL15098
|
[C][=C][C][=C][C][Branch1][#C][N][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15117
|
[C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][=C][O][C]
|
CHEMBL15119
|
[C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
|
CHEMBL15195
|
[C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
|
CHEMBL15197
|
[C][N][C][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][N][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch2]
|
CHEMBL15137
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P]
|
CHEMBL15138
|
[C][C][C][Branch1][#C][C][=Branch1][C][=O][N][N][C][C][C][C][C][C][Ring1][#Branch1][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15222
|
[C][C][=C][C][=C][Branch2][Ring1][P][C][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][O]
|
CHEMBL15223
|
[O][=C][O][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=N][N][Ring1][S][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL15224
|
[C][O][C][=C][Branch1][#C][N][C][C][C][Branch1][C][C][Branch1][Ring1][C][N][C][Ring1][Branch2][C][Branch1][C][F][=C][Branch1][C][N][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][O][=Ring1][=N]
|
CHEMBL14621
|
[C][C][=N][S][C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring1][S][N][=N][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][O]
|
CHEMBL14623
|
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][C]
|
CHEMBL14624
|
[C][=C][C][C@H1][Branch1][=Branch1][C@H1][Branch1][C][C][O][O][C][Ring1][Branch2][=O]
|
CHEMBL14625
|
[C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][=C][Ring1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N]
|
CHEMBL14626
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1]
|
CHEMBL2112245
|
[C][C@@H1][Branch1][C][O][C@@H1][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][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][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@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][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][S][S][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][Ring2][Branch2][=Branch2][=O]
|
CHEMBL2112246
|
[C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][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][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][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@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][Ring2][Branch2][O][=O]
|
CHEMBL15174
|
[C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][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]
|
CHEMBL3310070
|
[C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][NH1][Ring1][O][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][Branch2][Ring1][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][NH1][Ring1][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL15198
|
[C][C][C][C][C][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring1][=C]
|
CHEMBL15282
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][/N][=C][\C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O]
|
CHEMBL15283
|
[C][C][C][C][C][=N][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][O][C][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][#C][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]
|
CHEMBL15225
|
[C][C][C][C][C][=N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][=C][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]
|
CHEMBL15302
|
[C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][Branch1][C][C][C]
|
CHEMBL15303
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1]
|
CHEMBL14711
|
[C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N]
|
CHEMBL14712
|
[C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][C][O][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][#Branch2][Ring1][P]
|
CHEMBL14713
|
[C][C][=N][S][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=N][N][=N][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2]
|
CHEMBL14714
|
[C][O][C][=C][Branch1][N][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Branch1][C][N][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2][=Ring1][=N]
|
CHEMBL15268
|
[C][=C][C][O][/N][=C][Branch2][Branch1][=Branch1][\C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][S][C][=C][Branch1][Branch1][N+1][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][S][C][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
|
CHEMBL15269
|
[C][C][C][C][=C][Branch2][Ring1][S][O][C][C][C][O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][S][C][#N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][S][O]
|
CHEMBL15270
|
[C][C][=N][C][Branch1][C][Cl][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][=N]
|
CHEMBL15271
|
[C][O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]
|
CHEMBL15284
|
[C][C][C][C][C][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][=C][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]
|
CHEMBL15285
|
[O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S]
|
CHEMBL15286
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15028
|
[C][O][C][=C][Branch1][=N][N][C][C][C][Branch1][Ring1][C][N][C][C][Ring1][Branch2][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][Ring2][Ring1][#Branch2][=Ring1][=N]
|
CHEMBL15030
|
[C][N][Branch1][C][C][C][C][C][/N][=C][Branch1][C][\S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch2][Ring1][C][C][C][C][N][/C][Branch1][C][S][=N][/C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL15031
|
[C][=C][C][N][Branch1][Ring2][C][C][=C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL15032
|
[C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][#Branch1][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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL15305
|
[C][C@H1][C][N][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][Branch2][C][C@H1][Branch1][C][C][N][Ring2][Ring1][P]
|
CHEMBL15911
|
[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N]
|
CHEMBL15054
|
[C][O][C][=N][O][C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][Ring1][=N]
|
CHEMBL15055
|
[C][C][C][=C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][N][=Ring1][=N]
|
CHEMBL15056
|
[C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][=C][C][=Branch1][#Branch2][=N][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N][C][C][C][C][Ring1][=Branch2]
|
CHEMBL14715
|
[C][=C][C][C][N+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][N][C][C][Ring1][N][C][Branch1][C][O][C][=C][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Ring1][Branch2]
|
CHEMBL14801
|
[C][=C][O][C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][Ring1][=N]
|
CHEMBL14802
|
[C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][N][O][C]
|
CHEMBL4543317
|
[C][O][C][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL14803
|
[O][=C][Branch1][Ring1][C][Br][N][C][C][N][C][=N][C][=N][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][O]
|
CHEMBL14804
|
[C][C][Branch1][C][C][C][C][N][C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N]
|
CHEMBL15005
|
[O][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=C][N][Ring1][S][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15006
|
[N][C][=N][C][Branch2][#Branch1][=Branch2][C@H1][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][#Branch2][=C][/N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][Ring2][Branch1][Ring2][=O][C][C][N][Ring2][Branch1][O]
|
CHEMBL15007
|
[C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][C][=Ring1][Branch2][C][Ring2][Ring1][S][=O]
|
CHEMBL15008
|
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring1][O][Ring1][=C]
|
CHEMBL15009
|
[C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL15010
|
[C][=C][C][C@H1][Branch1][=N][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O]
|
CHEMBL15034
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Branch2][Ring1][#Branch1][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL15035
|
[C][C][Branch2][Branch1][Branch2][C][S][C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL15036
|
[C][=C][C][=C][Branch2][Ring1][=N][C][C][=C][C][=C][Branch1][P][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL15120
|
[C][C][C][Branch2][Branch1][Ring2][C][S][C][Branch1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL15057
|
[C][C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL15058
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][=C][O][C][C][C][Ring1][=Branch1][Branch1][C][C][C]
|
CHEMBL15059
|
[C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL15139
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL3310069
|
[C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][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][Branch2][Ring1][C][C][C][=C][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][NH1][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL14805
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C].[C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL14895
|
[C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N+1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N]
|
CHEMBL14896
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][Ring1][#Branch1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15099
|
[C][C][O][C][C][=C][C][Branch2][Ring1][N][C][Branch1][Ring1][C][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch1][C][O][C][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][#Branch1][O]
|
CHEMBL15100
|
[N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring1][N][=O]
|
CHEMBL15101
|
[Cl][C][=C][C][=C][C][Branch1][P][N][C][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
|
CHEMBL15102
|
[C][C@H1][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][C@@H1][Branch1][C][C][N][Ring2][Ring1][=C]
|
CHEMBL15103
|
[C][C][C][C][C][=Branch1][O][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][=Branch1]
|
CHEMBL15104
|
[C][C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch1][Ring1][C][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Branch1][O]
|
CHEMBL15121
|
[C][=C][Branch2][Ring1][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15122
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=C][C][=C][N][Branch2][Ring1][#Branch1][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O][=C][Ring2][Ring1][O]
|
CHEMBL15123
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][/N][=C][\C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O]
|
CHEMBL15200
|
[C][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL15201
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][N][C@H1][C][C][C@@H1][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][N][O][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL15140
|
[C][C][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][Branch1][C][C][C][N][Ring2][Ring1][=C].[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O]
|
CHEMBL15141
|
[C][C][C][C][C][=N][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][O][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][#C][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]
|
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