chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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|---|---|
CHEMBL7971
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][#C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL7704
|
[C][C][=C][C][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][S][=C][Ring2][Ring1][Branch1][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][=N]
|
CHEMBL7705
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][Ring1][O][C]
|
CHEMBL429
|
[C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2]
|
CHEMBL7706
|
[C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]
|
CHEMBL3311431
|
[C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][#C][C][C][C][Ring1][Ring1]
|
CHEMBL7991
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#C][C][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Branch1][C][F][C][Branch1][#C][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][Branch2][=C][Branch1][C][F][C][=C][Ring1][S][C][Ring2][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][#C]
|
CHEMBL7992
|
[F][C][Branch1][C][F][Branch1][C][F][C][=N][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][NH1][Ring1][=N]
|
CHEMBL7726
|
[O][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][Ring2][Ring1][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL7727
|
[C][=C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][Branch2]
|
CHEMBL7729
|
[C][N][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL3311042
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][O][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL8010
|
[O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8011
|
[C][C][C][=C][C][=C][Branch1][=N][O][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][=C][Ring1][=C]
|
CHEMBL4482863
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL8013
|
[N][=C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1][N][C][C][C][=Branch1][C][=O][O].[Na+1].[Na+1]
|
CHEMBL8014
|
[O][=C][Branch1][#C][/C][=C][/C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL8015
|
[O][=C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL1761221
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][Branch1][Ring1][P][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL7750
|
[C][C][Branch1][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL3311164
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][=C][C][=C][O][C][=C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL8306
|
[O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL4553125
|
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Branch1][C][O][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][=C][Ring1][=Branch2][=C][N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][=C][Ring1][=Branch2][=C][N][=C][Ring2][Ring1][O][Ring1][=C][=C][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring2][C]
|
CHEMBL4553126
|
[C][O][C][C][N][C][=C][Branch1][=C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][F][C][=N][Ring1][=C]
|
CHEMBL4553127
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][Branch2][Ring2][#C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=C][Ring1][#C][=N][NH1][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][O][=C][Ring2][Ring2][Ring2][Cl]
|
CHEMBL4553128
|
[O][=C][Branch2][Ring1][C][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][=C][S][Ring1][S]
|
CHEMBL4553129
|
[C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][C][=C][N][=C][Branch1][C][N][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][=O][=N][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2]
|
CHEMBL8307
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][/C][=Branch1][Ring2][=C][/C][=O][C@H1][Ring1][Branch2][S][C][Ring1][#C].[Na+1]
|
CHEMBL8309
|
[N][N][C][NH1][N][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=C][=N][C][=Ring2][Ring1][Branch1][Ring1][P].[O][=S][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL8310
|
[O][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL8311
|
[O][C][=N][C][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=N]
|
CHEMBL3311318
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL3311319
|
[C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL3311327
|
[C][=C][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL7707
|
[O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][C][C@H1][Ring1][Branch2][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL7708
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=C][Ring1][=N][=C][Ring2][Ring1][Ring2]
|
CHEMBL7794
|
[C][C][=C][C][Branch2][Ring2][=Branch2][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][P][=C][Ring2][Ring1][=Branch1][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][=C]
|
CHEMBL7795
|
[C][C][=N][O][C][=C][Branch1][C][Cl][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][#Branch2]
|
CHEMBL7796
|
[C][=C][C][=C][C][Branch1][=Branch1][C][C][O][Ring1][Ring1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL7797
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=N][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL7798
|
[C][C][Branch1][C][C][C][C][C@][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][C@@][Ring1][Branch2][Branch1][C][C][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring1][S][Ring1][O][C][C][Ring2][Ring2][Ring2][C][Ring2][Ring2][=Branch2]
|
CHEMBL7730
|
[N][C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL7731
|
[O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL7732
|
[C][C][C][N][C][=C][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][S]
|
CHEMBL7817
|
[C][=C][C][C][O][C][=C][Branch1][C][Br][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][P][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2]
|
CHEMBL7819
|
[C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][N][Branch1][C][C][C][Ring1][#C][=C][Ring2][Ring1][Ring2]
|
CHEMBL7752
|
[C][O][C][Branch1][Ring1][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N]
|
CHEMBL7753
|
[C][O][C][=C][C][=C][Branch2][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL7754
|
[C][S][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][=O]
|
CHEMBL7755
|
[C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][=O]
|
CHEMBL7756
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@H1][Ring1][O][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL3311170
|
[O][=C][Branch2][Ring1][Branch2][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][N][O]
|
CHEMBL3311178
|
[C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][C]
|
CHEMBL8281
|
[C][#C][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Branch1][C][N][=N][Ring1][#Branch2]
|
CHEMBL8282
|
[C][C][C][C][C@@H1][Branch2][Branch1][#Branch1][C][C@@H1][Branch2][Ring1][N][C][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8369
|
[C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=N][Ring1][#C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL8370
|
[O][=C][Branch1][C][O][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL8578
|
[C][C][C][C][C@@H1][Branch2][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8579
|
[C][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][C][/C][Branch1][C][F][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][Cl][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][#Branch2][Cl]
|
CHEMBL8580
|
[C][C][C][C][C@@H1][Branch2][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8674
|
[C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][C][I][=C][Ring1][=Branch2][O]
|
CHEMBL8329
|
[C][=C][C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=Branch1][=N][=C][Ring1][=Branch1][C][Branch1][Ring2][C][C][=C][O][Ring1][S][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#C]
|
CHEMBL8060
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][S][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C]
|
CHEMBL8061
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C]
|
CHEMBL3309332
|
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][C][C]
|
CHEMBL8256
|
[C][C][C][C][=C][C][=C][Branch2][Ring2][O][C][C][C@H1][Branch1][O][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL8258
|
[C][C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][C][C][C][=C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C]
|
CHEMBL8348
|
[C][C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring1][S][Ring1][O][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][P]
|
CHEMBL3311509
|
[C][N][C][=Branch1][C][=O][O][C][C@@][Branch1][C][O][C][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@@H1][Ring1][S][O]
|
CHEMBL8371
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][/C][=Branch1][Ring1][=C][\Br][C@H1][Ring1][#Branch1][S][C][Ring1][=C].[Na+1]
|
CHEMBL8373
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][N][=C][N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][=C][Ring1][#C][Ring1][N]
|
CHEMBL8108
|
[C][N][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8109
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL8675
|
[C][N][C][C][=C][Branch2][Ring2][Ring1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][Ring1][=Ring1][=N][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL8676
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch1][P][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Branch1][C][N][=O]
|
CHEMBL1163244
|
[Br][C][=N][O][C][C][C][C][N][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][N][Ring1][=Branch2]
|
CHEMBL8677
|
[C][O][C][=C][C][=C][Branch2][Ring2][O][C@@H1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][Ring1][P][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL8678
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][=C][Branch1][C][O][N][Ring1][=C][N][=Ring1][P]
|
CHEMBL3309325
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=C]
|
CHEMBL8063
|
[C][C][=C][C][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][S][=C][Ring2][Ring1][Branch1][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][=N]
|
CHEMBL8064
|
[C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=S][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL8149
|
[O][=C][Branch2][Ring1][N][N][C@@H1][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL8150
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][N][=C][N][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][C][Ring1][#C]
|
CHEMBL4553617
|
[C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL4553618
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][N][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O]
|
CHEMBL4553619
|
[C][C][=Branch1][C][=O][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1]
|
CHEMBL4553620
|
[C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch2][C][=N][N][Ring1][S][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][C][Ring1][Branch2]
|
CHEMBL4553621
|
[N][#C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2]
|
CHEMBL4553622
|
[N][#C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][=C][Ring1][S][S][Ring2][Ring1][Ring1]
|
CHEMBL4553623
|
[C][O][C][=C][C][Branch2][Ring1][Ring1][C][N][=C][Branch1][C][N][NH1][C][=Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL8350
|
[C][C][=C][/C][=Branch1][#Branch1][=C][\C][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][O][C][Ring1][=N][C][C][Ring1][Ring1]
|
CHEMBL8351
|
[C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][O][C][Branch1][P][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O][C][Ring1][S][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O]
|
CHEMBL8352
|
[C][O][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][O]
|
CHEMBL8083
|
[C][C][Branch1][C][C][Branch2][Ring2][=N][C][C][C][O][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8085
|
[N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL8110
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
|
CHEMBL45
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL8111
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Branch1][C][Cl][Cl][C@H1][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][P].[Na+1]
|
CHEMBL8196
|
[C][C][Branch1][C][C][Branch2][Ring2][#Branch1][C][C][C][O][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O]
|
CHEMBL8198
|
[C][C][N][N][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][=C][N][=C][Ring2][Ring1][=N][Ring2][Ring1][S]
|
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