chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL10525
|
[C][=C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][C@@H1][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][O][Ring2][Ring2][Branch2]
|
CHEMBL10460
|
[C][C][Branch1][C][C][O][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring2][Ring1][O]
|
CHEMBL10461
|
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][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][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Ring2][Ring1][=C][C]
|
CHEMBL10462
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][C][=C][Branch1][C][I][C][Ring1][#Branch1][=C][Ring1][N][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL10463
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL10476
|
[C][O][C][C][N][Branch1][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][C][O][C]
|
CHEMBL10477
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][Branch1][C][C][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL10479
|
[C][C][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][O]
|
CHEMBL10480
|
[O][C][C][N][Branch1][Ring2][C][C][O][C][C][Branch1][C][F][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10481
|
[C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10420
|
[C][C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][\C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL10421
|
[O][=C][Branch1][#Branch2][O][C][N][C][C][C][Ring1][Ring2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10422
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][=C][Ring2][Ring2][O]
|
CHEMBL10499
|
[O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL10500
|
[C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL10501
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Branch1][C][=O][C][=C][Ring1][S][C][C][C][C][Ring1][=Branch1]
|
CHEMBL10502
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][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][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][=C][Ring1][#Branch2][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL10503
|
[C][C][Branch1][Ring1][C][O][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][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL10526
|
[C][C][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][C][C][=C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring1][#C][C][=C][Branch1][C][Br][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C]
|
CHEMBL10272
|
[O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2]
|
CHEMBL10273
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][N][C][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][Ring2][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][P]
|
CHEMBL10275
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][=C]
|
CHEMBL10276
|
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]
|
CHEMBL10546
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][O][C][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C]
|
CHEMBL10547
|
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10548
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10549
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C]
|
CHEMBL10550
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][C][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][O][C][C][C@][Ring1][#C][Ring2][Ring1][Ring2][C][C@@H1][Ring2][Ring2][N][Ring2][Ring2][=Branch2]
|
CHEMBL24319
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=C][Branch2][Branch1][Ring2][C][=C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch2][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][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C][C][C][C][Ring2][Ring2][Ring2][=O]
|
CHEMBL1163325
|
[O][=C][C][=C][Branch2][Ring2][Ring2][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][O][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][Ring2][Ring2][Ring1]
|
CHEMBL10567
|
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10568
|
[O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL10569
|
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][Ring1][Branch2]
|
CHEMBL10570
|
[C][=C][C][N][C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][C@H1][Ring1][N][Ring1][#C]
|
CHEMBL76
|
[C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1]
|
CHEMBL2093826
|
[C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2]
|
CHEMBL10846
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][O][C]
|
CHEMBL10847
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][/C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O-1][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch1][C].[Na+1]
|
CHEMBL10848
|
[C][O][C][C][#C][C][C][Branch2][Ring2][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL10277
|
[C][C][Branch2][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][N][Branch1][C][C][C][Ring1][Branch2][=O][=C][\C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL10359
|
[C][C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][\C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL10360
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][O][C@@H1][C][C][N][C][Ring1][Branch1][=C][Ring1][N][=C][Ring2][Ring1][C]
|
CHEMBL10361
|
[O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10362
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][O][Ring2][Ring2][Branch2]
|
CHEMBL10363
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL10295
|
[N][C][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10296
|
[O][=C][Branch2][Ring2][#Branch2][N][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=N][C][C][#C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL10297
|
[C][C][=C][C][=C][Branch2][Ring1][S][C@H1][O][C][=Branch1][C][=O][O][C@][Ring1][=Branch1][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL10298
|
[N][#C][C][C][C][N][Branch1][S][C][C][C][N][C][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch2][C][C][Ring1][P]
|
CHEMBL10299
|
[C][C][Branch2][Ring1][C][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][=C][\C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL10317
|
[C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C@@H1][C][C][C@H1][C][C][O][C][=C][C][=C][C][Ring1][N][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL10318
|
[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL10319
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][C][C][N][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][#Branch2][Ring2][Ring2][#Branch1]
|
CHEMBL10320
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][O][Ring2][Ring2][Branch2]
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CHEMBL10321
|
[C][C][N][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
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CHEMBL10322
|
[C][C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][\C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL10323
|
[C][=C][C][=C][N][=C][C][Branch1][=Branch2][O][C@@H1][C][C][N][C][Ring1][Branch1][=C][Ring1][N]
|
CHEMBL10766
|
[C][C][C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][Cl][C][O][C][Branch1][Ring1][S][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][N][Branch1][C][C][C][Ring2][Ring1][Branch2]
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CHEMBL10850
|
[C][C][Branch1][C][C][=C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][=C][C][=C][Branch1][=Branch2][C][C][C@@][Ring1][=Branch1][Ring1][=Branch2][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][Ring2][Ring1][C]
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CHEMBL10851
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][C][#C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2]
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CHEMBL10852
|
[C][C][/C][=Branch2][Ring1][N][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]
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CHEMBL10364
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][C][=C][Ring1][=Branch2][N][=C][Ring1][=N][Ring2][Ring1][C]
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CHEMBL10445
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C]
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CHEMBL10446
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10447
|
[O][=C][O][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch2]
|
CHEMBL10448
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=N]
|
CHEMBL10380
|
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch2][Ring1][N]
|
CHEMBL10381
|
[O][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl]
|
CHEMBL1163319
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10382
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][O][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][Ring2][Ring1][C][=O]
|
CHEMBL10384
|
[O][=P][Branch1][C][O][Branch1][C][O][C][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1]
|
CHEMBL1178049
|
[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][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][C][C][C][C][C][Ring2][Ring1][Branch2]
|
CHEMBL10401
|
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10404
|
[C][C][C][C][C][C][Branch1][C][O][/C][=C][/C][C][C][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O]
|
CHEMBL10405
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL10596
|
[O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL10677
|
[C][C][C][N][C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][N][Ring1][#C]
|
CHEMBL10678
|
[C][C][=C][C][=C][Branch2][Branch1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@@H1][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Branch1][Branch1][C][O][Ring1][P][C@H1][Ring2][Ring1][Ring1][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL10679
|
[C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][O]
|
CHEMBL10449
|
[O][=C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][#Branch2]
|
CHEMBL10527
|
[O][=C][O][C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL10528
|
[O-1][S+1][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL10529
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][C][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL10530
|
[C][C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][\C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL10464
|
[C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][C][C][=C][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][=N][Ring2][Ring1][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL10465
|
[O][=C][Branch2][Ring2][Ring2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10466
|
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10467
|
[C][C][=C][C][=C][Branch2][Ring1][=C][C@H1][O][C][=Branch1][C][=O][O][C@][Ring1][=Branch1][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL1163315
|
[C][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][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][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10482
|
[O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10483
|
[C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][N][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=C][Ring1][O][C][=Ring1][#C][C][O][C]
|
CHEMBL10484
|
[C][C][Branch1][C][C][S+1][Branch1][C][O-1][C][C][C@@H1][Branch1][C][C][C][C][C][C][C][C][C][=C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][Ring1][C]
|
CHEMBL10485
|
[C][C][O][C][Branch1][C][C][N][C][Branch2][Ring1][=Branch1][S+1][Branch1][C][O-1][C][C][=N][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL91159
|
[C][C][C][Branch1][C][C][C@H1][O][C@][Branch1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C@@H1][C][C@@H1][Branch2][#Branch1][O][C][/C][=C][Branch1][C][\C][C@@H1][Branch2][Ring2][N][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch2][Ring1][Branch2][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][=Branch1][S+1][Branch1][C][C][O-1][C@H1][Branch1][C][C][O][Ring1][N][C@H1][Branch1][C][C][O][Ring2][Ring1][=Branch1][C@@H1][Branch1][C][C][/C][=C][/C][=C][\C][O][C@@H1][C@H1][Branch1][C][O][C][Branch1][C][C][=C][C@@H1][Branch1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring2][P][C@][Ring1][=C][Ring1][O][O][O][Ring2][Branch1][#Branch2]
|
CHEMBL12282
|
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][O][C][O][C@H1][Branch1][C][C][C][C@H1][Branch1][O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][C@H1][Ring1][=N][O][C@@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][N][Branch1][P][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C@][Ring2][Branch1][=C][Ring1][S][C]
|
CHEMBL10680
|
[O][=C][Branch1][C][O][C][C][C][/C][=C][\C][C@H1][C@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][S][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][Ring1][N]
|
CHEMBL10762
|
[C][S][C][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1]
|
CHEMBL10763
|
[C][O][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=N][NH1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][Ring1][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
|
CHEMBL10764
|
[O][=C][Branch2][Ring1][P][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=Branch2][C][=N][S][N][=C][Ring1][Branch1][Cl][C][C][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL10531
|
[O][=C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring2][Ring1][=Branch2]
|
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