chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL12367
|
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][C][C][Ring1][#Branch2]
|
CHEMBL12368
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][N+1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][C][C][Ring2][Ring1][#Branch1].[Br-1]
|
CHEMBL12098
|
[C][C][=C][C][=C][C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][O][N][C][C][C][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch1][N]
|
CHEMBL12099
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12115
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][C][C][N][Branch2][Ring1][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL12116
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL12205
|
[O][=N][N][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL12208
|
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1]
|
CHEMBL12051
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL12052
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL503
|
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C][C@@H1][Branch1][C][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][P][C][C][C@@H1][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][Ring1][Branch2][C@H1][Ring1][P][Ring2][Ring1][=Branch1]
|
CHEMBL12140
|
[C][/C][=C][Branch1][Branch2][\N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O]
|
CHEMBL4560037
|
[C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][/C][=N][/N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12141
|
[C][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12142
|
[C][/C][=C][Branch1][N][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12075
|
[C][N][Branch1][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12076
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][#Branch2]
|
CHEMBL12077
|
[C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=O]
|
CHEMBL12078
|
[C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O]
|
CHEMBL12079
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12101
|
[C][C][C][C][/N][=C][Branch1][C][/C][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N]
|
CHEMBL12185
|
[N][C][=C][C][=C][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][=C][C][C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL12187
|
[C][N][C][C][N][Branch2][Ring2][=Branch2][C][Branch2][Ring1][#Branch2][C][N][C][C][N][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#C]
|
CHEMBL12188
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL12189
|
[O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL11921
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O]
|
CHEMBL11924
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][P][=C][\C][C][C][C][C][N][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][O]
|
CHEMBL12143
|
[O][=C][Branch2][Ring1][=C][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][N][O]
|
CHEMBL1163416
|
[C][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C][=Branch2][=Branch2][N][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Branch2][Ring2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][C][Branch2][=Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][Ring1][O][C][C][C][C@][Ring1][#C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch1][=C][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][C][C][=C][O][Ring2][Ring2][#C][C][C][C@][Ring2][=Branch1][Ring1][Ring2][Branch1][#C][C][C][C@][Ring2][=Branch1][=Branch2][Branch1][C][C][C][C][C@H1][Ring2][=Branch1][#C][C][Ring2][#Branch1][Ring1][Branch1][C][C][C]
|
CHEMBL12233
|
[C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL12234
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][=N][NH1][C][Branch1][C][O][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][O]
|
CHEMBL12160
|
[C][/N][=C][Branch1][C][\S][N][C][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12161
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12162
|
[O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][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]
|
CHEMBL12163
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring1][N].[C][S][=Branch1][C][=O][=Branch1][C][=O][O]
|
CHEMBL12165
|
[C][/C][=C][Branch2][Ring1][=Branch2][\N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12166
|
[C][/C][=C][Branch2][Ring1][#Branch1][\N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12167
|
[N][C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][Cl][C][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S]
|
CHEMBL1163423
|
[C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
CHEMBL12278
|
[C][C][C][C][/N][=C][Branch2][Ring1][O][\N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P][C][Branch1][C][C][C]
|
CHEMBL12279
|
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
CHEMBL12281
|
[C][C][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=Branch1][C][=O][O][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL11925
|
[C][C][=Branch1][C][=O][N][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O].[C][C][Branch1][C][C][=O]
|
CHEMBL12305
|
[C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S]
|
CHEMBL12307
|
[C][C][/C][=C][Branch1][N][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12235
|
[O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring1][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL12236
|
[O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL12322
|
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][C][Branch1][C][C][N]
|
CHEMBL12323
|
[C][N][C][C][C][=C][Branch1][Branch2][C][=N][C][=N][O][Ring1][Branch1][C][Ring1][O]
|
CHEMBL12324
|
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][C][C][N+1][Branch1][C][C][Branch1][C][C][C@H1][Ring1][N][Ring1][#Branch1]
|
CHEMBL12251
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1]
|
CHEMBL12253
|
[O][=C][Branch1][C][O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1]
|
CHEMBL12254
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
|
CHEMBL12255
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL12256
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2]
|
CHEMBL12284
|
[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]
|
CHEMBL12369
|
[C][O][C][=C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][C][N][Branch2][Ring1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL12370
|
[C][N][C][C][N][Branch2][Ring2][N][C][Branch2][Ring1][=N][C][N][C][C][N][Branch1][P][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][P]
|
CHEMBL12371
|
[C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C]
|
CHEMBL12309
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL12028
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][N][C][C][C][S][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][N][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL12029
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O]
|
CHEMBL12030
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#C][=C][\C][C][C][C][C][N][C][=N][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12325
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1]
|
CHEMBL12326
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12327
|
[C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][N][Ring1][=C]
|
CHEMBL12053
|
[C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Ring1][=N]
|
CHEMBL12054
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL12055
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Ring1]
|
CHEMBL12056
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL12346
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][Ring1][C][O][C][Branch2][Ring2][Ring2][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Ring1][O][C]
|
CHEMBL12347
|
[C][=C][C][=C][C][=C][Branch1][Branch2][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][N][Branch1][S][C][C][C][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL1163424
|
[C][O][C][=C][C][Branch2][Branch2][Branch1][/C][=C][/C][=Branch1][C][=O][C][C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch2][=Branch1][Branch2][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][Ring1][O][C][C][C][C@][Ring1][#C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch1][=C][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#C][=C][C][=C][Ring2][Branch1][=C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][Ring1][O][C][C][C][C@][Ring1][#C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch1][=C][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][C][C]
|
CHEMBL12102
|
[C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][N][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL12103
|
[C][N][C][C][C][C][C][C][Ring1][#Branch1][=O]
|
CHEMBL12104
|
[C][/C][=C][Branch2][Ring1][Ring1][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL12105
|
[O][=C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][O][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12031
|
[C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12032
|
[C][/C][Branch2][Ring1][=Branch2][C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C][=N][\O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL12124
|
[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@@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]
|
CHEMBL12125
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][S][C][Ring2][Ring1][#Branch1].[Br-1]
|
CHEMBL12126
|
[C][O][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12058
|
[C][C][=Branch1][C][=N][N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P]
|
CHEMBL12059
|
[C][S][/C][=Branch2][Ring1][Ring1][=N][\C][C][S][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][#N]
|
CHEMBL12144
|
[C][C][C][C][=N][C][=C][Branch2][Ring2][P][N][Ring1][Branch1][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][Ring2][C][C][#N][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring2][Ring2]
|
CHEMBL12080
|
[C][N][Branch2][Ring1][N][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]
|
CHEMBL12081
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12082
|
[C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][S][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][Cl][S][Ring2][Ring1][O][=Branch1][C][=O][=O]
|
CHEMBL12083
|
[C][S][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL12084
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][O]
|
CHEMBL12106
|
[C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL12190
|
[C][C][C][C][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][O][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C]
|
CHEMBL12191
|
[C][O][C][=C][C][=C][C][Branch1][=C][C][N+1][Branch1][C][C][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1].[Cl-1]
|
CHEMBL12192
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL12193
|
[O][=C][C][C][C][C][N][Ring1][=Branch1]
|
CHEMBL12127
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][/C][=C][/C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring1]
|
CHEMBL12128
|
[C][N][Branch1][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12216
|
[C][C][C][C][C][C@@H1][Branch2][Ring1][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][O][C][Branch1][C][C][=O]
|
CHEMBL12217
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2]
|
CHEMBL12218
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C@][Ring1][=N][Ring1][Branch2][C]
|
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