score
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stringlengths 30
2.07k
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stringlengths 30
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0.34 |
[O][=C][NH1][C][=C][N][C][=N][C][=C][Ring1][=Branch2][Ring1][Branch1]
|
[O][=C][Branch2][Ring2][=Branch2][O][C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Branch1][#C][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring2][#Branch2]
|
0.44 |
[O][=C][C][=C][C][=Branch1][=Branch1][=C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Ring1][N][C][Ring1][#C][C]
|
[O][=C][Branch1][C][O][C][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch2][=Branch1][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][=C][O][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][Branch1][C][O][C][Ring1][=C][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch2][Ring1][#Branch2][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][C][C][S][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
0.63 |
[O][=C][Branch1][C][O][C][O][C][Branch2][Ring2][Ring2][O][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][=N][O]
|
[O][=C][O][C][C][O][C][Branch2][#Branch2][#Branch2][O][C][=C][Branch2][=Branch2][=N][C][C][C][C][Ring1][=N][C][C][=C][C][C][Branch2][Branch2][Branch1][O][C][O][C][Branch1][C][C][C][Branch2][=Branch1][P][O][C][O][C][Branch1][C][C][C][Branch2][Branch1][=C][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][#Branch2][O][C][O][C][Branch2][Ring1][=Branch1][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][Branch1][Ring1][O][C][C][Ring2][Ring1][S][C][Branch1][C][O][C][Ring2][Ring2][=Branch2][C][Branch1][Ring1][O][C][C][Ring2][Branch1][Ring1][C][C][C][Ring2][Branch1][=C][Ring2][Branch1][#Branch2][C][C][Ring2][=Branch1][=Branch2][Ring2][=Branch1][=Branch1][C]
|
0.3 |
[O][=C][Branch2][=Branch1][S][O][C][C][C][=C][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring2][Ring1][N][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring2][Ring2][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[O][C][=N][NH1][C][C][Branch1][=Branch1][C][=C][C][=Ring1][Branch1][=N][Ring1][=Branch2]
|
0.7 |
[O][=C][Branch1][C][O][C][=Branch2][=Branch1][Ring2][=C][C][C][C][Branch1][C][C][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch2][Ring2][=N][C][=C][Branch1][=Branch2][C][C][C][Ring1][=N][Ring1][=Branch1][C][C][Branch1][C][C][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=N][C][C][Ring2][Ring1][Branch1][O][C][C][C]
|
[O][C][Branch1][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][C][Branch1][C][C][C]
|
0.53 |
[O][=C][N][Branch1][C][C][C][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][Ring2][Ring1][O]
|
[O][=C][O][C][C][C][Ring1][Branch1][=C][C][C][C][C][C][C][Branch1][S][C][=Branch1][N][=C][C][C][Branch1][C][C][Branch1][C][C][C][O][C][C][Ring2][Ring1][Ring1][Ring1][=C]
|
0.49 |
[O][=C][Branch3][Ring1][C][Ring2][N][C][Branch1][Ring1][C][O][C][Branch2][#Branch2][N][O][C][O][C][Branch2][=Branch1][C][C][O][C][O][C][Branch2][Ring2][Branch2][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch2][Branch1][#Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Ring1][=C][O][C][Branch1][C][O][C][Ring2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Ring2][=Branch1][#Branch2][O][C][Branch1][C][O][C][Branch1][C][O][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][=Branch1][N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch2][Branch1][#Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch2][Ring1][=N][O][C][O][C][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=C][O][C][Ring2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Ring2][Ring2][#Branch1][O][C][Branch1][C][O][C][Ring2][Branch1][C][N][C][=Branch1][C][=O][C][C]
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
0.77 |
[O][=C][C][=Branch2][Branch2][=Branch2][=C][C][C][Branch1][C][O][C][=C][C][Branch1][N][C][=C][N][C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][Ring2][Ring1][=Branch2][Ring1][Branch2][C][C][#C][C][C][Branch1][Branch1][C][Ring2][Ring1][O][C][Branch1][#Branch2][C][C][C][Ring2][Ring1][P][Ring1][=Branch1][O][C][Branch1][C][O][Branch1][C][C][C][Branch1][C][O][C][C][C][C][Branch1][C][O][C][C][Ring1][=Branch2][O][C][C][C][C][Branch1][Ring2][C][C][C][C][C][C][Ring1][=N][Ring1][#Branch2][N][C][C][Branch1][C][O][C]
|
[O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Branch1][C][O][Branch1][C][C][C][C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][N][C][C][O][C][=Branch1][Branch1][=C][C][=Ring1][Branch1][C][O]
|
0.67 |
[O][=C][Branch2][Ring1][#C][C][=C][Branch1][C][O][C][=C][Branch1][S][O][C][C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O][C][O]
|
[O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][Ring2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][N][Ring1][=C][C][=C][Ring2][Ring1][P][C][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring2][Ring2][#Branch2]
|
0.51 |
[O][=C][O][C][=Branch2][Ring1][#Branch1][=C][Branch2][Ring1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][O][=C][Ring1][=N][Ring1][=Branch2][C][C]
|
[O][=C][Branch2][=Branch2][C][O][C][Branch2][Ring2][Branch2][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][O][=N][C][C][C][N][C][=Branch1][C][=N][N][O][C][Branch2][Branch1][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][C][C][C][C][C]
|
0.5 |
[O][=C][Branch2][Ring2][#Branch1][O][C][C][=Branch1][C][=O][O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][Ring1][=N][Ring1][=Branch2][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C]
|
[O][=C][Branch2][Branch2][Branch1][O][C][C][C][=C][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][Branch1][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C][Ring2][Ring1][=C][C][C][Branch1][C][O][C][Ring2][Ring2][Ring1][Branch1][C][C][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][Ring2][Branch1][C][C]
|
0.27 |
[O][=C][Branch1][C][O][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C]
|
[O][=C][Branch1][Branch2][C][=C][O][C][=C][Ring1][Branch1][C][C][=C][Branch1][C][C][C]
|
0.4 |
[O][=C][N][=C][Branch1][#Branch1][S][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
|
[O][=C][Branch1][C][N][N][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][Branch2][Ring2][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][C][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][O][C][C][Branch1][Ring1][C][O][C][C][=Branch1][C][=O][N][C][Branch1][C][O][C][=Branch1][C][=O][N][C][O]
|
0.37 |
[O][=C][C][C][=Branch1][C][=O][O][C]
|
[O][=C][Branch1][C][O][C][=C][C][Branch2][P][Ring1][C][Branch2][S][=Branch1][C][Branch1][Ring2][O][Ring1][=Branch1][O][C][C][Branch1][C][O][C][Branch1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][#C][O][C][Ring1][N][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][O][C][C][Branch1][C][O][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][#Branch2][O][C][Ring1][N][C][=Branch1][C][=O][O][O][C][C][Branch1][C][O][C][Branch1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][#C][O][C][Ring1][N][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][O][C][C][Branch1][C][O][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][#Branch2][O][C][Ring1][N][C][=Branch1][C][=O][O][O][C][C][Branch1][C][O][C][Branch1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][#C][O][C][Ring1][N][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][#Branch2][O][C][Ring1][Branch2][C][=Branch1][C][=O][O][O][C][C][Branch1][C][O][C][Branch1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][O][C][Ring1][=N][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][O][S][=Branch1][C][=O][=Branch1][C][=O][O][O]
|
0.26 |
[O][=C][C][=C][Branch2][Branch1][=N][O][C][=C][C][Branch2][Ring2][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][=C][C][Branch1][C][O][=C][Ring2][Ring2][C][Ring2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C]
|
[O][C][Branch1][=Branch1][C][=Branch1][C][=C][C][C][C][=C][Branch1][Ring1][C][=C][C]
|
0.32 |
[O][=S][=Branch1][C][=O][Branch2][=Branch1][S][O][C][=C][C][=Branch2][Branch1][Branch1][=C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][NH1][Ring1][P][C][=N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][=N][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C]
|
[O][=C][Branch1][Ring2][O][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
0.33 |
[N][=C][C][=N][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
[O][=C][C][=Branch2][Ring2][Branch1][=C][O][C][=C][Ring1][=Branch1][C][=C][C][O][C][N][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1][=Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
0.67 |
[O][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][O][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Branch1][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][=Branch2][C][C][Ring1][=N]
|
[O][=C][O][C][=C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][Branch1][O][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring2][Ring1][O][Ring1][=Branch1]
|
0.7 |
[O][=C][Branch1][C][O][C][Branch1][C][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch2][Branch2][Ring2][C][=Branch1][C][=O][O][C][O][C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][=Branch1][O][C][O][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Ring1][Ring1][O][C][Branch1][C][O][C][Ring2][Ring1][=N][O][C][C][C][Ring2][=Branch1][Branch2][Ring2][=Branch1][Ring1][C][O]
|
[O][=C][C][=Branch1][P][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch2]
|
0.58 |
[O][=C][C][C][C][C][Branch2][Ring2][Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#C][C][C][C][Branch1][C][C][C][Ring2][Ring2][Ring2][C][C][C][C][Branch1][=Branch2][C][C][C][Ring1][#Branch2][Ring1][Branch1][C][C][Branch1][C][O][Branch1][C][C][C][C][C][=C][Branch1][C][C][C]
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C]
|
0.54 |
[O][=C][Branch2][#Branch2][#C][O][C][C][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][Branch2][Ring1][=Branch1][O][C][Ring1][Ring1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][C][C][Ring2][Ring1][Ring2][Ring1][Branch2][C][C][C][C][C][C][Branch2][#Branch1][Ring1][O][C][O][C][Branch1][C][C][C][Branch2][Branch1][#C][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][Branch1][Ring1][O][C][C][Ring2][Ring1][S][O][C][Branch1][Ring1][O][C][C][Ring2][Ring2][O][C][C][C][Ring2][Branch1][S][Ring2][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[N][C][=C][N][Branch2][Ring1][=C][C][=Ring1][Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=Branch1][Branch1][=C][NH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C]
|
0.55 |
[O][=C][Branch1][C][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O]
|
[O][=C][Branch2][Ring2][S][O][C][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C]
|
0.61 |
[O][=C][C][C][C][C][C][C][Branch2][O][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][#Branch2][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Branch2][Branch2][N][C][#C][C][=C][C][=C][C][=Branch2][#Branch1][S][=C][Ring1][=Branch1][C][C][Branch1][Ring1][N][C][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][Branch2][Ring2][#Branch1][C][Branch1][C][O][C][C][C][Branch2][Ring1][C][C][C][C][Branch1][=Branch1][C][Ring2][Branch1][Branch1][O][C][Ring2][Branch1][=Branch2][Ring1][=Branch2][O][C][Branch1][C][C][C][C][C][C][C][Ring1][Branch1][C][Ring2][=Branch1][C][C][C][C][Ring2][Ring1][O][Branch1][Branch1][C][Ring2][Ring2][=N][C][Ring2][Ring1][#C][C][=C][C][=Branch1][C][=O][O][C][Ring2][Ring2][#Branch1][Ring1][=Branch1][C][O][C][C][Ring2][Branch1][#Branch2][C][Ring2][Branch1][#C][C][C][C][C][Ring2][=Branch1][Branch2][C][Ring2][#Branch1][Branch1]
|
[O][=C][Branch1][C][O][C][C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][Branch1][C][O][C][Branch1][C][O][C][C]
|
0.55 |
[O][=C][Branch1][Ring1][O][C][C][=C][O][C][Branch2][Ring2][=Branch1][O][C][O][C][Branch2][Ring1][C][C][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring1][O][C][C][=Branch1][=Branch2][=C][C][C][Ring2][Ring1][=C][Ring1][Branch1][C][O]
|
[O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][N][C][Ring1][#Branch2][Branch1][C][C][C]
|
0.64 |
[O][=C][C][C][=C][O][C][=Ring1][Branch1][N][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#C][Ring1][Branch2][C][C][=C][Branch1][C][C][C]
|
[O][=C][C][C][=Branch1][C][=O][C][C][=Branch2][Ring2][C][=C][C][NH1][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][N][C][NH1][C][=C][C][=Ring1][Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Ring2][Branch1][Branch1]
|
0.42 |
[O][=C][Branch2][Ring2][#C][O][C][C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][O][C][Branch1][Ring1][O][C][Branch1][=Branch1][C][Ring2][Ring1][C][O][C][Ring2][Ring1][C][Branch1][#Branch1][N][C][C][Ring2][Ring1][Branch1][C][Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]
|
[O][=C][Branch1][C][O][C][N][Branch1][=Branch1][C][=Branch1][C][=N][N][C]
|
0.53 |
[O][=C][C][=C][C][=C][N][Ring1][=Branch1][C][C][C][N][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Branch2][Ring2][=Branch1][C][Branch1][#Branch2][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][O][C][=C][Branch1][C][Cl][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][C][Ring2][Ring1][Ring1][=O][O][C][C][Ring2][Ring2][S][C][Ring2][Ring2][=C]
|
[O][=C][Branch2][Branch1][Branch1][O][C][C][Branch2][Ring1][O][O][C][=Branch1][C][=O][C][C][C][C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
|
0.53 |
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N]
|
[O][=C][C][C][Branch1][C][O][C][Branch1][=Branch2][C][C][C][=C][NH1][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][C][=C][Branch2][=Branch2][Branch2][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch2][Branch2][Ring2][S][S][C][C][Ring2][Ring2][Ring2][C][C][Branch1][C][O][C][Ring2][Ring2][=Branch2][Branch2][Branch1][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][N][C][C][C][C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][O][C][Branch1][P][O][C][C][C][C][C][C][Ring1][=Branch1][C][S][S][C][Ring2][Ring1][C][=C][Ring2][Ring1][C][C][O][C][C]
|
0.46 |
[O][=C][Branch1][C][O][C][C][C][=C][C][C][Branch2][Ring1][Ring1][C][C][C][C][C][C][C][C][=C][Branch1][Ring2][C][C][N][C][C][Ring1][Branch2][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Ring2][Ring2][=Branch2][C][C][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][C][Ring1][=C]
|
[O][C][O][C][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Branch1][C][O][C][Ring1][P][O]
|
0.69 |
[O][C][Branch1][C][C][C][C][N][Branch1][C][C][C][C][C][Ring1][=Branch1]
|
[O][C][=C][Branch1][S][N][=C][Branch1][O][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][C]
|
0.36 |
[O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][C][C][C][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Ring2][C][Ring1][=N][C][C]
|
[C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
0.24 |
[C][#C][C][=C][C][C][C][C][C][=C][C][#C][C][#C][C][C][C][C][=C][C][#C][C][O]
|
[O][=C][N][C][C][=C][C][=C][C][=C][O][C][Branch2][Ring2][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][NH1+1][Branch1][C][O-1][C][Ring1][=C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][Branch2][N][Branch1][=Branch1][C][Ring2][Ring1][Branch2][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
|
0.67 |
[O][=C][Branch2][#Branch1][Ring1][O][C][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][C][Ring1][=N][=C][Ring1][P][O][C][Ring2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][#C][C][=N][C][Branch1][C][N][=C][Branch2][Ring1][C][C][=C][Ring1][#Branch1][C][C][Branch1][=Branch1][C][C][Ring2][Ring1][N][C][Ring2][Ring1][=N][C][C][C]
|
[O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C]
|
0.63 |
[O][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Ring1][P][=C][Ring2][Ring2][#Branch2][Ring2][Ring1][S][C]
|
[O][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][C][C][C][C][Branch1][C][O][C][C][Ring1][O][Ring1][#Branch1][C][C]
|
0.47 |
[O][=C][C][=C][C][=C][N][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Ring1]
|
[O][=C][Branch2][Branch2][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C][O][C][O][C][Ring1][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][C][C][C][C][Ring1][Ring1][C][C][C][Branch2][Ring2][Ring2][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][=N][C][C][C][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1][Branch1][C][C][C][Ring2][Ring2][S][O][C]
|
0.49 |
[O][=C][Branch2][=Branch2][=Branch1][O][C][C][O][C][Branch2][#Branch1][=Branch1][O][C][C][C][C][C][C][Ring1][Ring1][C][C][C][Branch1][C][C][C][Branch2][Ring2][#C][C][Branch1][C][O][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Ring2][Ring1][O][C][Ring2][Ring1][#C][Branch1][C][C][C][C][Branch1][P][O][C][Branch1][Branch1][C][C][Ring1][Branch1][C][Branch1][C][O][Branch1][C][C][C][C][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Ring2][Branch1][N][O][C]
|
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
|
0.39 |
[O][Branch1][C][C][C][Branch1][C][C][C][C][C][C][C][C][C]
|
[O][=C][O][C][C][C][Branch2][Branch2][C][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][O][C][Ring1][Branch2][=O][C][Ring2][Ring1][Branch1][C][C][C][Branch1][C][C][C][Branch1][#C][O][C][=Branch1][C][=O][C][O][C][Ring1][P][Ring1][=Branch2][Ring1][Ring1][C][C][=C][O][C][=Ring1][Branch1][C][C][Branch1][#Branch1][C][Branch1][C][O][C][O][C][C][C][C][C][Branch1][N][C][=C][N][C][N][C][C][Ring1][=Branch2][Ring1][Branch1][C][Ring1][=N][C][Ring2][Branch1][N]
|
0.57 |
[O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][N]
|
[O][=C][Branch1][C][O][C][Branch2][Ring1][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][Branch1][C][O][C][C][Branch1][=N][C][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][Branch1][Branch1][C][C][C][O][C][Ring2][Ring1][C]
|
0.39 |
[O][=C][Branch1][C][O][C][C][S][Branch1][C][C][C]
|
[O][=C][Branch2][#Branch1][Ring2][O][C][C][Branch1][C][O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][N][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][N][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][N][C][C][C][N][C][Branch1][Branch2][O][C][Ring2][Ring2][Ring1][C][O][N][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][Ring2][N][Ring1][Branch2][C][Branch1][C][O][C][N][N]
|
0.51 |
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][=C][Branch2][O][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][O][C][O][C][=C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][Branch1][C][O][C][=C][Branch2][#Branch1][O][C][=C][Ring1][#Branch1][O][C][=Ring1][O][C][Branch1][C][O][=C][Ring1][S][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Ring2][Branch1][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Ring2][Ring1][#C][C][Ring2][Ring1][O][O][=C][Ring2][=Branch2][#Branch1][C][=Branch1][C][=O][O]
|
[O][=C][C][=C][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][C][C][C][O]
|
0.62 |
[O][=C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][O][C][O][=C][Ring1][#Branch2][C][#C][C][C][=C][C][=Branch2][Branch1][=Branch2][=C][C][Branch2][Ring2][C][O][C][Branch1][C][O][C][Branch1][Ring2][C][Ring1][#Branch1][C][C][N][=C][Branch1][C][N][N][C][Branch1][#Branch1][C][S][S][C][Ring1][O][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2][O][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][O][C][Ring2][Branch1][#Branch2]
|
[O][=C][C][C][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C][Ring1][P][C][C]
|
0.54 |
[O][=C][O][C][=C][Branch2][#Branch1][=N][C][=C][C][O][C][Branch1][C][C][Branch2][=Branch1][O][C][O][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Branch1][C][C][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][C][=Branch1][C][=O][O][C][Ring2][Ring2][Branch2][C][Ring2][Ring2][P][=Ring2][Ring2][=N][C][C][C][C][C][Ring1][Branch1][C][=Branch1][#C][=C][Ring2][Branch1][#Branch2][C][Branch1][Branch1][C][O][C][O][C][C][O][C][O]
|
[N][#C][C][C][=C][C][Branch1][C][Br][=C][Branch1][O][O][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][Br][=C][Ring1][S]
|
0.53 |
[O][=C][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][C][Branch2][S][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Branch2][S][N][C][=Branch1][C][=O][C][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C][=Branch1][Ring1][=C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][O][C][S][C][Ring2][Ring1][#C][C][O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][S][C][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Ring2][Branch2][Ring2][=O][C][S][C][C][S][C][C][Branch1][S][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Ring2][Ring2][Branch1][=O][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C]
|
[O][=C][O][C][Branch1][Ring1][O][C][Branch1][C][C][C][C][Ring1][Branch2][C][C][C][C][C][C][C][C][C][=C][C][C][C][C]
|
0.32 |
[N][=C][O][C][C][Branch1][=Branch1][N][=C][C][=Ring1][Branch1][=C][Ring1][=Branch2][N]
|
[O][=C][C][=Branch2][Ring2][#Branch2][=C][O][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch2][Ring1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][O][C][Ring1][Ring2][C][Ring1][#C][=Ring1][#Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
0.45 |
[O][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][O][=N][O][C][=Ring1][Branch1][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2]
|
[Cl][C][C][C][Branch1][C][Br][C][=C][C][O][C][Ring1][Branch1][C][Ring1][#Branch2]
|
0.29 |
[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
|
[O][=C][Branch1][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][Branch1][C][C][C][C][C][C][=C][Branch2][Ring1][=N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S][Ring1][N][C][Ring2][Ring1][Ring2][Branch1][C][C][C][C][C][Ring2][Ring1][P][Ring2][Ring1][#Branch2]
|
0.35 |
[O][=C][Branch2][#Branch1][C][O][C][C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch2][Branch1][=C][C][=Branch1][=N][=C][C][C][Ring1][Branch1][C][=C][O][C][=C][Ring1][Branch1][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][=Branch2][Ring1][P][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Ring1][O][Branch1][C][C][C][Ring2][Ring2][Ring1][Ring1][P][C][O][C][C][C]
|
[O][=C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O]
|
0.4 |
[N][C][=Branch1][N][=N][C][C][=Ring1][Branch1][O][C][=C][C][=Ring1][=Branch1][N]
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][N][O][C][C][Branch1][Branch1][C][Ring1][=Branch1][O][C][C][O][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][Ring1][N][C][C][C][#C][C][O][C][=C][C][Ring2][Ring1][Ring1][=C][Branch1][O][O][C][Ring2][Ring1][#Branch1][C][C][C][O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][#Branch1]
|
0.46 |
[O][=C][O][C][C][C][Branch1][C][C][C][C][C][C][Branch1][Branch1][O][C][Ring1][Ring1][C][Ring1][=Branch2][C][C][Ring1][=N][C][Ring1][S][C][N][C][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C]
|
[O][=C][Branch1][C][O][C][C][Branch2][P][C][N][C][=Branch1][C][=O][C][Branch2][#C][S][N][C][=Branch1][C][=O][C][Branch2][=C][N][N][C][=Branch1][C][=O][C][Branch2][=N][Branch1][N][C][=Branch1][C][=O][C][Branch2][N][#Branch1][N][C][=Branch1][C][=O][C][Branch2][#Branch2][S][N][C][=Branch1][C][=O][C][Branch2][=Branch2][N][N][C][=Branch1][C][=O][C][Branch2][Branch2][Branch1][N][C][=Branch1][C][=O][C][Branch2][=Branch1][P][N][C][=Branch1][C][=O][C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
0.84 |
[O][=C][Branch2][=Branch1][Branch1][O][C][C][O][C][Branch2][Ring1][#Branch2][O][C][O][C][Branch1][Branch2][C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=N][O][Branch1][Ring1][C][O][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Ring2][Ring2][Ring2][O][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
|
[O][=C][C][=C][Branch2][=Branch1][#C][O][C][=C][C][Branch2][Branch1][N][O][C][O][C][Branch2][Ring1][=Branch1][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][=C][C][Branch1][C][O][=C][Ring2][Ring2][N][Ring2][Ring2][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
0.42 |
[O][=C][Branch1][=Branch2][O][C][C][O][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C]
|
[O][=C][C][=C][C][Branch1][C][O][C][C][=C][Branch1][C][C][C][Branch2][Ring1][S][O][C][O][C][Branch1][C][C][C][Branch1][Branch2][N][=C][Branch1][C][O][O][C][C][Branch1][=Branch1][N][Branch1][C][O][O][Branch1][C][C][C][Ring1][S][C][C][=C][Branch1][C][C][C][C][=C][C][C][Branch2][=Branch1][C][O][C][O][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring2][P][O][C][O][C][Branch1][C][C][C][Branch2][Ring1][P][O][C][O][C][Branch1][C][C][C][Branch1][S][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][C][Ring1][Branch2][C][Branch1][C][O][C][Ring1][P][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring2][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring2][Ring2][O][C][Ring2][Ring2][#C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][Branch1][S][C][Ring2][=Branch1][=C][Branch1][=Branch1][O][C][Ring1][Branch1][=O][C][Ring2][#Branch1][=Branch1][O][C]
|
0.61 |
[O][=C][Branch1][=Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][C][Branch2][Ring1][=N][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1]
|
[O][=C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][=Branch2][=Branch2][O][C][C][=C][C][=C][C][Branch2][Branch2][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][Branch1][#Branch2][C][=C][Ring1][=N][C][Branch1][C][O][O][=C][Ring1][S][Ring1][N][C][C][#C][O][C][Branch1][Branch1][C][Ring2][Ring2][Ring1][C][C][C][=C][Branch1][C][O][C][=Branch2][Ring1][#Branch2][=C][C][Ring1][#Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=N][N][C][C][Branch1][=Branch2][C][N][C][Branch1][C][O][C][C][C][C][Ring2][Ring2][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][C][C][C][N][C][C][C][=C][Ring2][=Branch1][P]
|
0.56 |
[O][C][C][O][C][Branch2][Branch1][=Branch2][O][C][C][Branch1][C][O][C][Branch1][C][O][C][O][C][Ring1][Branch2][O][C][C][O][C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][O][C][Ring1][=Branch2][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring2][O][C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Branch1][C][O][C][Ring2][Branch1][C][O]
|
[O][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][Ring1][=C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
|
0.7 |
[O][=C][C][=C][Branch2][#Branch2][Branch1][O][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][O][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][O][C][C][Branch1][Ring1][C][O][C][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][C][=C][C][=Branch1][=C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][O][C][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring2][=Branch1][C][=Ring2][Ring2][#C][=C][Branch1][Ring2][NH1][Ring1][=C][N][C][C][N][C][C][Ring2][Ring2][=Branch1][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
[O][=C][Branch1][C][O][C][C][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1]
|
0.42 |
[O][=C][Branch2][O][#Branch2][N][C][C][Branch2][Ring2][#C][O][C][Branch2][Ring1][C][C][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][C][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][O][C][C][C][C][Branch1][C][C][C][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch2][Ring2][Branch2][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][Ring1][Branch2][O][C][C][C][Ring2][Ring2][Ring1][Branch1][C][C][C][Ring2][Ring2][Branch2][Branch1][C][C][C][Branch1][C][O][C][C][Ring2][Ring2][#C][C][Ring2][Branch1][Ring1][Branch1][C][C][C][C]
|
[S][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][C][C][C]
|
0.45 |
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][O][C][N][Ring1][N][C][C][=Branch1][Ring1][=C][C][C][Ring1][#Branch1]
|
[O][=C][Branch1][C][O][C][O][C][Branch2][#Branch1][#Branch1][O][C][C][C][C][Branch1][C][C][C][Branch2][=Branch1][Ring1][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][C][Ring2][Ring1][S][Ring2][Ring1][O][C][C][Ring2][Ring2][#Branch2][Branch1][C][C][C][C][Branch1][C][O][C][Branch2][Ring2][Ring1][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Ring2][=Branch1][Branch2][O]
|
0.6 |
[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][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][Ring1][=N][C]
|
[O][=C][Branch2][Branch2][=C][O][C][C][O][C][Branch2][#Branch1][=Branch2][O][C][C][Branch1][C][O][C][Branch2][=Branch1][Branch1][O][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][O][C][=Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][=C][Branch1][C][C][C][O][C][Branch1][C][C][C][Ring2][Ring2][=C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Branch1][Branch2][O][C]
|
0.69 |
[O][=C][Branch2][Branch1][=Branch1][O][C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][Ring2][Ring1][C][C][C][Ring2][Ring1][Ring2][C][=C][O][C][=C][Ring1][Branch1]
|
[O][=C][O][C][Branch1][C][C][Branch1][N][C][C][Branch1][C][O][C][C][Branch1][C][C][C][C][C][C][C][Branch2][#Branch2][N][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Branch2][Ring2][O][C][O][C][C][Branch1][C][O][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Ring1][N][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Ring1][Branch1][O][C][Branch1][C][O][C][Ring2][Ring1][#C][O][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][C][C][Ring2][Branch1][#C][Branch1][C][C][C][Ring2][=Branch1][Ring2][C][C][C][Ring2][#Branch1][=Branch1][Ring2][=Branch1][O][Ring2][=Branch1][Branch2][C]
|
0.43 |
[O][=C][Branch2][S][#C][N][C][Branch2][S][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][=C][P][C][=Branch1][C][=O][N][C][Branch2][=C][Ring2][C][=Branch1][C][=O][N][C][Branch2][=N][#Branch1][C][=Branch1][C][=O][N][C][Branch2][N][Branch1][C][=Branch1][C][=O][N][C][Branch2][O][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][#Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][Branch2][#Branch1][N][C][=Branch1][C][=O][N][C][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C]
|
[O][C][Branch1][Ring1][C][=C][C][C][C]
|
0.56 |
[O][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring1][Branch2]
|
[O][=C][O][C][=C][C][=Branch2][Ring2][Ring1][=C][C][Branch1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][S][C][=Branch1][Branch1][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
|
0.51 |
[O][=C][C][=C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][O][=C][Branch2][Branch1][=Branch1][C][Branch1][C][O][=C][Ring1][O][C][Ring1][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=C][Branch2][Ring1][O][N][C][Branch2][Ring1][C][C][=N][C][=Branch1][Branch1][=N][O][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][S][C][C][C][C]
|
[O][=C][Branch1][Ring1][O][C][C][C][C][C][C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C]
|
0.63 |
[O][=C][O][C][C][Branch2][Ring1][#Branch2][C][C][C][Branch1][C][O][Branch1][C][C][C][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][Ring1][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C]
|
[O][=C][Branch1][C][O][C][C][C][C][=Branch1][Ring1][=C][O][C][Branch2][#Branch2][=Branch2][C][C][C][N][C][=C][C][=C][Branch2][=Branch2][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][C][Ring1][#Branch2][=C][C][C][=Branch2][#Branch1][Ring2][=C][C][C][Branch1][C][C][C][Branch1][C][O][C][C][C][Ring1][=C][Branch2][Branch1][O][C][=C][Branch1][Ring2][C][Ring1][=C][C][C][C][Branch1][C][O][C][Ring2][Branch1][Ring2][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][Ring2][C][Ring1][N][C][C][C][Ring1][N][C][C][C][Branch1][S][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][O][C][C][C][Ring1][P][C][Ring2][Ring2][O][Ring2][Ring2][#Branch1][C][C][Branch1][C][C][C][C][N][Ring2][=Branch1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1]
|
0.75 |
[O][=C][O][C][C][=C][Branch2][#Branch2][=Branch1][O][C][=C][Ring1][Branch1][C][C][C][Ring1][=Branch2][C][#C][C][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Branch1][C][O][C][=Branch1][C][=O][C][C][Branch2][#Branch1][Branch2][O][C][C][=Branch1][Branch1][=C][C][Ring1][=Branch1][C][C][C][C][C][=C][C][Ring1][O][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Ring1][Ring1][S][C][Ring2][Ring1][=Branch2][C][Branch2][Ring1][Ring2][C][C][Ring2][Branch1][Ring2][Branch1][C][C][C][Ring2][Ring1][=C][O][C][Ring2][Branch1][#Branch2][Ring1][Ring1][C][C][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][C][Ring2][Ring1][=N][Ring1][=Branch2][C][Ring2][Ring1][S][Ring2][Ring1][O][Ring1][=N][C][C][C][Branch1][#Branch1][C][Branch1][C][O][C][O][C][C][C][C][C][Branch1][N][C][=C][N][C][N][C][C][Ring1][=Branch2][Ring1][Branch1][C][Ring1][=N]
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][Ring1][=C][N][Branch1][C][C][C][C][Ring2][Ring1][Ring1][O]
|
0.53 |
[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
|
[O][C][=C][C][=C][Branch2][Ring2][N][C][=C][Ring1][=Branch1][O][C][C][C][Branch2][Ring1][=Branch2][C][=C][C][N][C][=Branch1][P][=C][Ring1][=Branch1][C][S][S][C][C][Branch1][Ring1][C][O][C][Ring1][P][O][N][C][C][=C][C][=C][NH1][Ring1][Branch1][C][C][=Branch2][=Branch1][Ring2][=C][C][C][#C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=N][C][=C][C][Ring2][Ring1][Branch1][C][Branch1][C][O][C][C][C][Branch1][C][O][C][Ring2][Ring1][#C][C][Branch1][C][O][C][Ring2][Ring2][Branch1][C][Ring2][Ring1][S][C][O][C][Branch1][Branch1][C][Ring2][=Branch1][Branch2][C][C]
|
0.64 |
[O][=C][Branch2][Ring1][#Branch2][N][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][=C][C][C][C][=C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
|
[O][C][C][O][C][Branch2][=Branch1][Branch2][O][C][C][C][Branch1][C][C][C][Branch2][Ring2][=Branch1][C][C][Branch1][C][O][C][C][Branch2][Ring1][Ring1][C][=Branch1][#C][=C][C][Branch1][C][O][C][O][C][Ring1][Ring1][Branch1][C][C][C][C][C][C][C][Ring2][Ring1][Branch1][Ring1][#C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][C][Ring1][#Branch2][C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Branch1][C][O][C][Ring2][Branch1][Branch1][O]
|
0.35 |
[O][=C][Branch1][C][O][C][C][C][S][C][C][=C][C][C][C][=C][C][C][=C][C][C][=C][C][C]
|
[O][=C][C][=C][N][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][O][C][=Branch2][=Branch1][=N][=C][N][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Branch2][Ring1][#Branch2][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][C][C][Ring2][Ring2][#C][O]
|
0.45 |
[O][=C][Branch1][Ring2][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[O][=C][Branch2][#Branch1][=Branch2][O][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][N][C][C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring2][=C][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][O][C][Branch1][#Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#C][O][C][=C][Ring2][Ring1][P][C]
|
0.71 |
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][O][C][Branch2][#Branch2][O][O][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][OH1+1][C][Ring1][N][C][=C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][=C][Branch1][C][O][C][Branch2][=Branch1][S][O][C][O][C][Branch2][Branch1][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][O][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][=C][Ring2][Ring1][=N][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring2][O][O][=C][Ring2][Branch1][S][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][#Branch1][Branch1][O]
|
[O][=C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][#C][C][C][C][C][C][Branch1][=C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][O][C][Branch1][Ring2][C][C][C][C][Branch1][C][O][C][C][=C][C][=Branch1][Branch1][=C][NH1][Ring1][Branch1][C][Branch1][C][C][C][N][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][C][=Branch1][=Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][N][C][=C][C][=Branch1][=Branch1][=C][C][N][Ring1][=Branch1][C][Ring2][Ring2][S][C][C][#C][C][C][C][Branch1][N][C][=C][C][=C][C][=C][Ring2][Branch1][P][Ring1][=Branch1][C][C][Branch1][=Branch1][C][Branch1][C][O][O][C][Ring1][#C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
0.56 |
[O][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][Branch2][N][C][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][Branch2][#Branch2][#Branch2][N][=C][Branch1][C][O][C][Branch2][Ring1][=Branch2][N][=C][Branch1][C][O][C][Branch1][Ring1][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][O][C][=C][C][=C][Branch2][#Branch1][=Branch2][O][C][=C][C][Ring2][Ring1][P][=C][C][Branch2][Ring2][Ring2][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][Ring2][Branch1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][Ring1][O][C][C][Branch1][C][N][C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][N][C][Ring1][=Branch2][C][=C][Ring2][Branch1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][#Branch1][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][=Branch2][O][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
[O][=C][C][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][Branch1][N][C][C][=Branch1][C][=O][C][Ring1][N][Ring1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Ring2][Ring2][=Branch1]
|
0.48 |
[O][=C][Branch1][Ring1][O][C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][C][C]
|
[O][=C][Branch2][=Branch1][C][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][Ring1][=Branch2][C][C][=C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring2][Ring1][Ring2][Ring1][#C][C][C][Ring2][Ring1][#C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
0.48 |
[O][=C][Branch2][Ring2][#C][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][C][C][C]
|
[O][C][=C][C][=Branch1][O][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][C][C][C][C][C][C][C][C][=C][C][C][C][C]
|
0.43 |
[O][=C][Branch1][C][O][C][C][Branch2][Ring1][#Branch2][N][=C][Branch1][C][O][C][Branch1][S][N][=C][Branch1][C][O][C][Branch1][C][N][C][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch2][Ring1][Ring1][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][N][C][=Branch1][C][=N][N][O]
|
[O][=C][Branch1][C][O][C][C][C][C][C][=C][C][Branch1][C][C][C]
|
0.32 |
[O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][Branch1][#C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][=C][=C][Branch2][Ring1][C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=Ring1][=N][C][N][C][=Branch1][C][=N][N][C][C][C][C][=C][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][Ring2][Ring2][N][C][O]
|
[C][=C][C][=Branch1][#C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Ring1][O][C][C][Ring1][N][Branch1][C][C][C]
|
0.65 |
[O][=C][C][=C][Branch2][Ring1][=C][O][C][=C][C][Branch1][=N][O][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[O][=C][C][=C][C][Branch2][#Branch1][=Branch2][C][Branch1][=N][C][N][=C][Branch1][C][N][N][C][Branch1][C][O][C][C][C][Branch1][C][C][C][C][C][Branch2][Branch1][#Branch1][C][S][S][C][C][Branch1][Branch2][N][C][=N][C][=C][Ring1][Branch1][C][C][Branch2][Ring1][S][C][=C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Ring1][#Branch2][C][Branch1][C][O][C][Ring2][Ring1][N][C][C][Ring1][#Branch1][C][C][C][Ring1][O][Branch1][C][C][C][C][Ring2][Branch1][C][Ring2][Ring2][=Branch1][O][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][Ring2][=Branch1][Ring1][Ring1][=C]
|
0.52 |
[O][C][C][C][C][Branch1][C][O][Branch2][Ring1][N][C][=C][C][C][=Branch2][Ring1][Ring2][=C][C][O][C][Ring1][=N][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][C][C]
|
[O][=C][Branch2][=Branch2][#C][N][C][Branch2][=Branch2][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Branch2][=Branch2][C][=Branch1][C][=O][N][C][Branch2][#Branch1][O][C][=Branch1][C][=O][N][C][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C][Branch2][Branch1][#C][C][=Branch1][C][=O][N][C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][Branch1][C][C][C][C][O][Branch1][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C]
|
0.41 |
[O][=C][O][C][C][C][O][C][Branch2][Ring2][=N][O][C][C][Branch1][=N][O][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=Branch1][C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][C][Branch1][C][O][C][C][Ring2][Ring1][#C][C][Branch1][#Branch2][O][C][Ring2][Ring2][C][C][Ring2][Ring2][Branch1][Branch1][C][C][C]
|
[O][=C][N][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
0.68 |
[O][=C][Branch1][C][O][C][=C][C][Branch2][#Branch2][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][=Branch2][Branch2][O][C][Branch2][#Branch1][O][C][=C][C][=Branch1][Branch1][=C][C][Ring1][Branch1][C][Branch2][=Branch1][O][C][O][C][C][C][C][C][C][Branch2][Ring2][#C][N][N][C][Ring1][=Branch1][C][C][Branch2][Ring1][P][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][C][C][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring2][Ring1][Ring1][Ring1][N][C][Ring1][Branch1][C][Ring2][Ring1][N][Branch1][=Branch2][C][Ring2][Ring2][#Branch1][C][Ring2][Ring2][N][C][Ring2][Ring2][Branch1][Ring2][Ring1][P][C][C][O][C][C][C][C][Branch1][#C][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Branch1][O][C][Branch1][C][O][C][Ring2][=Branch1][Branch1][O][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][=Branch1][C][=O][C][C][=Branch1][N][=C][Branch1][C][O][C][Ring1][O][=C][Ring2][#Branch1][=Branch1][C]
|
[O][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][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]
|
0.56 |
[N][Branch1][C][C][Branch1][C][C][C][C][N][Branch1][Branch1][C][C][Ring1][Branch1][C][Branch1][C][C][C][Branch1][C][C][C]
|
[O][=C][Branch1][C][O][C][Branch2][#Branch2][#C][N][C][=Branch1][C][=O][C][Branch2][=Branch2][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Ring1][=Branch1][C][Branch2][Ring2][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][Branch1][=C][N][C][=N][C][=Branch1][Ring2][=C][Ring1][Branch1][C][Ring2][Ring2][=N][=C][Ring1][N][C][Ring2][Ring2][#Branch1][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=N][N][C][C][N][=C][NH1][C][=Ring1][Branch1][C][C][C][C][N]
|
0.58 |
[O][=C][Branch1][C][N][C][Branch2][=Branch1][#Branch2][N][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][N][N][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][N][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
[O][=C][Branch1][C][O][C][=C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][P][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][C][Ring1][Branch2][O][C]
|
0.65 |
[O][C][C][O][C][Branch2][Branch1][#C][O][C][C][C][Branch2][Branch1][#Branch1][C][=Branch2][Ring1][P][=C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][C][Ring2][Ring1][C][Ring1][=C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=N][Ring1][Branch2][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring2][Branch2][O]
|
[O][=C][Branch1][#C][O][C][C][=C][C][N][C][C][C][C][Ring1][Branch2][Ring1][Branch1][C][Branch1][C][O][Branch1][#Branch1][C][Branch1][Ring1][O][C][C][C][Branch1][C][C][C]
|
0.56 |
[O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][C][C][Branch1][C][F][C][Branch1][P][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring2][Ring1][C]
|
[O][=C][Branch2][Branch2][=Branch1][O][C][C][O][C][Branch2][=Branch1][C][S][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C][=C][C][=C][Ring1][Branch2][S][C][O][C][Branch1][Branch2][C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring2][Branch1][Ring1][O][C][=Branch1][C][=O][C][C]
|
0.57 |
[O][=C][O][C][C][Branch2][#Branch1][P][O][C][Branch1][C][C][C][Branch2][#Branch1][Ring1][O][C][O][C][Branch1][C][C][C][Branch2][Ring1][=C][O][C][O][C][Branch1][C][C][C][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Ring1][#C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Ring2][Ring2][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][Ring2][Branch1][Branch2][O][O][C][C][Branch2][Ring1][Ring2][O][C][Branch1][Ring2][C][C][C][C][C][C][C][C][C][C][C][C][Ring2][=Branch1][N][O][C][Branch1][C][C][C][Branch1][C][O][C][Ring2][Ring1][=Branch1][O]
|
[O][=C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
0.62 |
[O][=C][Branch1][O][N][C][C][Branch1][C][O][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
|
[O][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch1][O][C][C][N][C][Branch1][C][O][=C][Ring1][O][C][C][Branch1][C][O][C][O][C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=C][O][C][Ring1][S][Branch1][Ring2][C][N][C][C][Ring2][Ring2][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][O]
|
0.68 |
[O][=C][Branch1][C][N][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch3][Ring1][C][=C][N][C][=Branch1][C][=O][C][Branch2][P][#Branch2][N][C][=Branch1][C][=O][C][Branch2][S][=Branch1][N][C][=Branch1][C][=O][C][Branch2][#C][Branch2][N][C][=Branch1][C][=O][C][Branch2][=C][O][N][C][=Branch1][C][=O][C][Branch2][=N][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C][Branch2][#Branch2][Branch2][O][C][=Branch1][C][=O][C][Branch2][=Branch2][Ring2][N][C][=Branch1][C][=O][C][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Ring2][#Branch1][=Branch1][=O][C][C][N][=C][Branch1][C][N][N][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][N][=C][Branch1][C][N][N][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][N][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][C]
|
[O][C][C][=C][C][Branch2][O][#C][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][=Branch1][O][C][Ring1][Branch2][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][=Branch2][Branch2][O][C][C][=Branch2][Branch2][S][=C][C][Branch2][Branch2][C][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][=Branch1][O][C][Ring1][Branch2][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][#Branch1][O][C][Ring1][Branch2][C][O][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][#Branch1][O][C][Ring1][Branch2][C][O][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][O][C][Ring2][Ring1][Ring2][C][O][C][Branch1][C][O][C][Ring2][Branch1][=C][O][C][O][O][C][Ring2][=Branch1][#Branch2][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][#Branch1][#C][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][#Branch1][Ring1][O][C][O][C][Branch1][C][C][C][Branch2][Branch1][#C][N][C][C][=C][Branch1][Ring1][C][O][C][Branch2][Ring2][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][Branch1][C][O][C][Ring2][Ring1][S][O][C][Branch1][C][O][C][Ring2][Ring2][#Branch2][O][C][Branch1][C][O][C][Ring2][Branch1][Branch1][O]
|
0.62 |
[O][=C][Branch1][C][N][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
[O][=C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch2][Ring2][N][C][=Branch2][Ring2][#Branch1][=C][C][C][=C][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][=N][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][C]
|
0.4 |
[O][=C][O][C][C][C][=C][C][=C][Branch2][#Branch1][=Branch1][O][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][#C][C][Branch2][Ring1][=Branch1][C][=C][C][=Branch1][#Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][N][C][C][Branch1][C][O][C][C][C][Ring2][Ring1][#C][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][C][C][C][Ring2][Branch1][Ring1][Branch1][C][O][C][Ring1][=Branch2][C][Ring1][=C][Ring1][#Branch1][C][=C][Ring2][Branch1][=Branch1][O]
|
[O][=C][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][S][=Branch1][C][=O][=Branch1][C][=O][N]
|
0.61 |
[O][=C][O][C][=C][Branch2][=Branch2][Branch1][C][=C][C][O][C][Branch2][Ring1][=Branch2][C][C][C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][Ring1][P][Ring1][=N][C][O][C][=Branch1][C][=O][C][=Branch1][#Branch1][=C][Branch1][C][C][C][O][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][C][C][Ring2][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][Ring2][Ring2][=C][C][Ring2][=Branch1][=Branch1][=Ring2][=Branch1][C][C][=Branch1][=C][=C][Ring2][=Branch1][#Branch2][C][Branch1][Ring2][C][O][C][C][C][O][C][O]
|
[O][=C][C][O][C][Ring1][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][Branch1][C][C][C]
|
0.55 |
[O][=C][Branch2][Ring2][Ring2][N][C][C][O][C][C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Ring2][Ring1][Ring2][O][C][C][C][Ring1][Ring1]
|
[O][=C][C][Branch1][C][C][C][Branch2][Branch1][O][O][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Ring2][Ring1][Ring2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][Branch1][C][C][C][Ring2][Ring2][=Branch2][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch2][Branch2][=C][C][=Branch1][C][=O][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch2][Ring1][=Branch2][O][C][O][C][Branch1][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Ring1][N][O][C][Ring2][Ring1][=Branch1][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][O][O][C][O][C][C][Branch1][C][O][C][Branch2][Ring1][#Branch2][O][C][O][C][Branch1][Branch2][C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=N][O][C][Ring2][Ring1][=Branch1][O][C][Branch1][C][O][C][Ring2][Ring1][S][O][C][Branch1][C][O][C][C][Ring2][=Branch1][=N][Ring2][=Branch1][Branch2][C]
|
0.62 |
[O][C][C][Branch1][C][N][C][Branch1][C][O][C][=C][C][C][C][C][C][C][C][C][C][C][C][C][C]
|
[O][=C][C][C][C][C][Branch1][C][O][C][C][C][C][Branch2][=Branch1][Ring1][C][C][Branch2][Branch1][=Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][S][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][Ring1][N][C][Branch1][O][C][=C][Ring1][#Branch2][C][N][C][C][N][C][C][C][Ring2][Ring1][N][Ring2][Ring1][#Branch1][O][C][Ring2][Ring2][O][Ring2][Ring2][=Branch1][O][C][Branch1][C][C][C][C][C][C][C][Ring1][Branch1]
|
0.59 |
[N][O][C][=Branch2][Ring1][=C][=C][C][=Ring1][Branch1][C][C][C][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][N][Branch1][C][C][C][C][N][Branch1][C][C][C]
|
[O][=C][O][C][C][Branch1][C][C][C][Branch2][Branch1][Branch2][O][C][Branch2][Ring2][=C][C][C][=C][C][=N][C][=Branch1][Branch1][=C][O][Ring1][Branch1][C][O][C][Branch1][=Branch2][C][C][Branch1][C][O][C][Ring1][#Branch1][C][C][O][C][Branch1][#Branch1][C][C][=C][Ring2][Ring1][=C][C][C][=Branch1][C][=C][C][Ring1][#Branch2][C][Ring2][Ring1][P][C][C][=Branch2][Ring2][P][=C][C][N][=C][Branch1][Branch1][O][C][=Ring1][Branch1][C][C][Branch1][C][O][C][C][Branch1][Ring1][O][C][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Branch1][C][O][C][=C][Branch1][N][C][=C][C][Branch1][Ring1][O][C][C][C][=C][Br][C][C]
|
0.64 |
[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][Branch1][O][C][Ring1][Ring1][C]
|
[O][=C][Branch2][Ring1][=Branch1][O][C][C][C][C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][N][C][C][C][=C][C][C][Ring1][O][C][O][C][Ring1][Ring1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Branch2][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][Branch1][C][C][C][C][C][=Branch2][Ring1][C][=C][Branch1][C][C][C][C][C][=C][C][N][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][O]
|
0.78 |
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][O][C][Branch1][Branch1][O][C][C][N][C][Branch2][Branch1][Ring2][O][O][C][=C][C][=Branch2][Ring2][Branch1][=C][O][C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=Branch1][#C][=C][Ring1][=Branch2][O][C][Ring1][N][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][O][C][Ring2][Ring2][#Branch2][O]
|
[O][=C][Branch2][=C][#Branch2][N][C][C][=Branch1][C][=O][N][C][Branch2][=N][#Branch1][C][C][=C][C][=C][Branch2][N][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][O][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][=Branch2][#C][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Branch2][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][#Branch1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Branch1][S][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring2][O][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][=Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][Ring1][O][C][C][Branch1][C][O][C][Ring1][O][O][C][Branch1][C][O][C][Ring2][Ring1][=Branch1][O][C][Branch1][C][O][C][Ring2][Ring1][P][O][C][Branch1][C][O][C][Ring2][Ring2][N][O][C][Branch1][C][O][C][Ring2][Branch1][#Branch1][O][C][Branch1][C][O][C][Ring2][=Branch1][C][O][C][Branch1][C][O][C][Ring2][=Branch1][=N][O][C][C][Branch1][C][O][C][Ring2][#Branch1][=Branch2][O][C][=C][Ring2][#Branch1][P][C][Ring2][Branch2][Branch2][Branch1][C][C][C][C][N]
|
0.55 |
[N][#C][C][O][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][Ring1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[O][=C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][O][C][Branch2][#C][Ring2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch2][=N][P][N][C][Branch2][=N][#Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=C][C][=Branch1][C][=O][N][C][Branch2][O][O][C][=Branch1][C][=O][N][C][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][=Branch2][=C][C][=Branch1][C][=O][N][C][=Branch1][Ring1][=C][C][C][=N][C][Branch2][Branch2][=Branch2][C][=Branch1][C][=O][N][C][Branch2][#Branch1][Ring2][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][Branch1][Branch2][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][Ring2][Ring2][=Branch1][N][=C][Branch2][Ring1][P][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=C][C][=Branch1][C][=O][N][C][C][Ring2][Branch1][N][C][Branch1][#Branch1][O][C][Ring2][#Branch1][=Branch2][=O][C][C][Branch1][C][O][Branch1][C][C][C][Branch1][C][O][C][C][S][Ring2][Branch1][=Branch2][C][Branch1][C][O][C][C][C][Branch1][C][C][C][C][Ring2][Branch2][=Branch2][O][C]
|
0.57 |
[N][N][=C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][N][N][C][S][C][=Ring1][P][Ring1][Branch1]
|
[O][=C][C][=C][C][Branch1][Ring1][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch2][C][C][C][Branch2][Branch2][O][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][Branch1][C][O][C][=C][Ring1][=N][C][#C][C][C][N][=C][Branch1][C][N][N][C][Branch2][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][=C][C][Branch1][Branch1][C][Ring2][Ring1][=Branch2][C][Branch1][O][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring2][Branch2][C][Ring1][#C][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2][C][C][C][C][C][Ring2][Ring2][Branch2][C][Ring2][=Branch1][N]
|
0.56 |
[O][=C][Branch2][Branch1][=Branch1][O][C][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C][C][=C][C][C][=C][C][C][=C][C][C][C][C][C]
|
[O][=C][O][C][Branch2][#Branch2][Ring2][C][C][=Branch2][=Branch2][=C][=N][C][Branch2][=Branch2][=Branch1][C][=Branch2][Branch2][P][=N][C][Branch2][Branch2][#Branch1][C][=Branch2][Branch2][C][=N][C][Branch2][#Branch1][#Branch2][C][=Branch2][#Branch1][Branch1][=N][C][Branch2][=Branch1][#Branch1][C][=Branch2][=Branch1][C][=N][C][Branch2][Branch1][#Branch1][C][=Branch2][Branch1][C][=N][C][Branch2][Ring2][#Branch2][C][=Branch2][Ring2][Branch1][=N][C][Branch2][Ring1][O][C][=Branch2][Ring1][=Branch1][=N][C][Branch1][N][C][=Branch1][Branch2][=N][C][Ring2][Ring1][#C][C][O][O][C][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][C][N][O][C][C][Branch1][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][O][C][Branch1][C][C][C][O][C][C][N][O][C][Branch1][C][C][C][C]
|
0.44 |
[O][=C][Branch1][Ring2][O][C][C][C][S][C][=Branch1][=Branch1][=N][C][=Ring1][Branch1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][N][C][=C][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][O][C][=C][Branch1][C][Cl][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][C][Ring1][=C][=O][C][Branch1][C][C][C][Ring2][Ring1][=Branch1]
|
[O-1][NH1+1][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][N][=C][Ring1][O][Ring1][#Branch1]
|
0.42 |
[O][=C][C][=C][Branch1][=Branch1][C][=C][C][=C][C][N][C][C][Ring1][O]
|
[O][=C][Branch2][=Branch1][Ring2][O][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][Branch2][Ring2][P][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][Ring1][=Branch1][=C][C][C][Ring1][#Branch2][Branch1][C][C][C][Ring1][S][C][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring2][Ring1][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
0.69 |
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][N][O][C][C][Branch1][Branch1][C][Ring1][=Branch1][O][C][C][O][C][C][C][Branch1][C][O][C][C][C][C][C][N][C][Ring1][O][Ring1][=Branch1][C][C][#C][C][O][C][=C][C][Ring2][Ring1][Branch1][=C][Branch1][O][O][C][Ring2][Ring1][=Branch2][C][C][C][O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][#Branch1]
|
[O][=C][O][C][C][=C][Ring1][Branch1][C][C][=Branch2][=Branch1][=Branch1][=C][C][Branch2][Branch1][=N][O][C][Branch1][C][O][C][C][C][Ring1][Branch2][Branch1][C][C][C][Branch1][N][O][C][=Branch1][C][=O][C][=Branch1][Ring1][=C][C][C][C][O][C][C][Branch1][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][Ring2][Ring1][=Branch2][Branch1][C][C][C][Ring1][S][Ring1][=N][C][Ring2][Ring2][Ring2][C]
|
0.22 |
[O][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][=C][Ring2][Ring1][Ring2][O][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
[O][N][=C][C][C][Branch1][C][C][C]
|
0.49 |
[O][=C][Branch1][Ring2][O][C][C][C][=C][Branch2][Ring1][#C][N][C][=Branch2][Ring1][=Branch2][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C]
|
[O][=C][Branch2][Branch2][C][O][C][O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][Ring1][N][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring1][N][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2]
|
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