chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL14042
|
[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][=C][Ring2][Ring1][C][Cl]
|
CHEMBL14067
|
[O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O]
|
CHEMBL1174
|
[N][=C][Branch1][C][N][N][C][C][C][C][C@@H1][N][C][=Branch1][C][=O][C][C][S][S][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][Ring2][Ring2][S][=O]
|
CHEMBL14068
|
[N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
|
CHEMBL14069
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][N]
|
CHEMBL14070
|
[N][C][=N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][=C]
|
CHEMBL14160
|
[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][Branch1][S][C@@H1][C][N][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1]
|
CHEMBL13694
|
[C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C][S][C][Ring2][Ring2][Ring1]
|
CHEMBL13695
|
[C][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][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL13696
|
[N][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][Branch1][Ring1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][S]
|
CHEMBL13697
|
[C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=C]
|
CHEMBL13698
|
[C][=C][C][=C][N][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL13924
|
[O][C@@H1][C][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O]
|
CHEMBL14014
|
[F][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][=C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][#C]
|
CHEMBL14015
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][S][Ring1][N]
|
CHEMBL14016
|
[O][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][O][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]
|
CHEMBL14017
|
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][S][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL14018
|
[N][#C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL14043
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][=N][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][O][Ring2][Ring1][=Branch2]
|
CHEMBL14136
|
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring2][Ring2][Ring2][Ring1][S]
|
CHEMBL14137
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][C][Ring1][Branch1][Branch1][C][C][C]
|
CHEMBL4543235
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S]
|
CHEMBL4543236
|
[N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Ring1][=N][=C][Ring1][P][N][C][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL14138
|
[C][C@@H1][C][C@@H1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL14139
|
[C][O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL14140
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O]
|
CHEMBL3309650
|
[O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]
|
CHEMBL14161
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL14162
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][O][Ring1][N]
|
CHEMBL14163
|
[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N]
|
CHEMBL14164
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
CHEMBL4543238
|
[C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][N]
|
CHEMBL14249
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O]
|
CHEMBL13790
|
[N][=C][Branch1][C][N][N][C][=Branch1][C][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL13791
|
[N][=C][Branch1][C][N][N][C][=Branch1][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4543250
|
[C][O][C][=C][C][=C][Branch3][Ring1][O][Branch1][C][C@H1][Branch3][Ring1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][S][C][C][C@H1][Branch2][S][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][#C][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][C][C][S][C][C@@H1][Branch2][Branch2][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=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][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][Ring2][Branch2][N][=O][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Ring2][=N][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C][=C][Ring2][P][=Branch2]
|
CHEMBL4543251
|
[O][=C][Branch2][Ring1][S][C][C][C][C][C][N][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][C][C][Ring1][=C][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL4543252
|
[C][O][C][=C][C][=C][Branch2][#Branch1][N][C][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch2][Ring1][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][#Branch1][O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Ring2][Ring2][S][C][C][=C][Ring2][Branch1][Branch2]
|
CHEMBL4543253
|
[C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][S][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL4543254
|
[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL13793
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][#C]
|
CHEMBL13794
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL13795
|
[N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL13796
|
[C][O][C][=Branch1][C][=O][C][C][C][C][C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C]
|
CHEMBL14110
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][N]
|
CHEMBL14111
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][N]
|
CHEMBL14112
|
[F][C][=C][C][=C][Branch2][Ring1][=N][C][N][=C][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4543256
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=N][Ring1][=Branch1]
|
CHEMBL4543257
|
[C][C][C][Branch1][C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch1][Ring1][N]
|
CHEMBL14113
|
[O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL14114
|
[O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL14141
|
[C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][C][C][=Ring2][Ring1][#Branch1][Cl]
|
CHEMBL14142
|
[C][N][Branch1][C][C][C][C][Se][C][C][N][Branch1][C][C][C]
|
CHEMBL14225
|
[C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C][Ring2][Ring1][N][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL14226
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL14227
|
[C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL3309651
|
[O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]
|
CHEMBL3309652
|
[O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]
|
CHEMBL14250
|
[C][C][O][C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][C][C][N][=C][C][=C][Ring1][#Branch1][Ring1][O][O][C][C]
|
CHEMBL14251
|
[C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Ring1][#Branch2][=O]
|
CHEMBL14253
|
[C][C][Branch1][C][C][=O]
|
CHEMBL14254
|
[C][C][Branch1][C][O][C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][O][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O]
|
CHEMBL13974
|
[C][O][C][=C][C][=C][Branch2][Ring2][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][S][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL13491
|
[C][O][/N][=C][Branch2][Ring1][N][/C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][O][C@H1][Ring1][N][Ring1][=Branch2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
|
CHEMBL4543275
|
[N][C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N]
|
CHEMBL4543276
|
[C][C][C][=C][Branch1][C][C][N][Branch1][P][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring2][Ring1][C]
|
CHEMBL4543277
|
[C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][O][C][=C][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=C][Branch1][C][/C][N][C][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch2][Ring2][Ring1][=N][C]
|
CHEMBL4543278
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][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][C][=O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL13492
|
[C][C][N][Branch1][N][C][C][C][C][C][C][C][Branch1][C][F][F][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL13493
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL13494
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C]
|
CHEMBL14265
|
[C][N][Branch1][C][C][C][=N][S][C][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][C][N][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][C][Ring2][Ring1][Ring2][N][=N][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C]
|
CHEMBL14266
|
[C][N][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2][C][C][C][C][Ring1][Ring1]
|
CHEMBL14267
|
[C][C][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O]
|
CHEMBL14268
|
[C][C][Branch2][Ring2][P][C][C][C@H1][Branch1][=N][S][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL14269
|
[C][N][C][=C][N+1][Branch1][C][C][=C][Ring1][=Branch1][/C][=C][/C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N].[I-1]
|
CHEMBL14228
|
[F][C][=C][C][=C][Branch2][Branch1][Ring1][C][N][=C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL14229
|
[C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch1][#C][C][C][=C][O][C][=Ring1][Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][S]
|
CHEMBL14230
|
[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@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O]
|
CHEMBL13960
|
[O][=C][Branch1][C][O][C][Branch1][C][Cl][Cl]
|
CHEMBL103
|
[C][C][=Branch1][C][=O][C@H1][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@][Ring2][Ring1][Ring1][Ring1][S][C]
|
CHEMBL3309653
|
[O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]
|
CHEMBL4543282
|
[C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][#N]
|
CHEMBL4543283
|
[C][C][=C][C][Branch2][Ring1][#Branch1][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL4543284
|
[O][=C][Branch1][N][C][C][N][C@H1][C][O][C][C@@H1][Ring1][Branch1][O][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][N][C][Ring1][S]
|
CHEMBL4543285
|
[Cl].[Cl].[N][C][C][=C][C][Branch2][Ring1][=C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][F][C][Ring1][#Branch1][=C][Ring1][#C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4543286
|
[C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][N][N][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch2]
|
CHEMBL4543287
|
[C][C][Branch1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][O][Ring1][N]
|
CHEMBL3309717
|
[C][C@H1][O][C][C][O][C@@H1][Ring1][=Branch1][C][N+1][Branch1][C][C][Branch1][C][C][C].[I-1]
|
CHEMBL3309718
|
[C][N+1][Branch1][C][C][Branch1][C][C][C][C@@H1][C][O][C][C][O][Ring1][=Branch1].[I-1]
|
CHEMBL13975
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL13977
|
[C][C@][C][C][C][C][Branch1][S][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#Branch1][Ring1][O][C][Ring1][#C][C][C@H1][O][C@@][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C@][Ring1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][C][O]
|
CHEMBL14071
|
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch2][Ring1][=N][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][N]
|
CHEMBL14072
|
[C][C][C][C][C][=Branch1][#C][=N][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][Branch2]
|
CHEMBL14073
|
[C][C][C][C][C][=Branch1][#Branch2][=N][N][C][N][=N][NH1][N][=Ring1][Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][Branch1]
|
CHEMBL4543310
|
[C][C][=N][C][Branch1][S][C][Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][=C]
|
CHEMBL14074
|
[C][C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][C][N][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL13601
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
CHEMBL13602
|
[O][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P]
|
CHEMBL13603
|
[C][C][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
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