lhallee/LD50_selfies_log · Datasets at Hugging Face

labels float64 -1.23 2.32	seqs stringlengths 6 382
0.874218	[C][C][O][P][=Branch1][C][=S][Branch1][C][Cl][O][C]
1.430072	[C][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][S][=Ring1][=Branch2]
0.884594	[O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][C][=C][Ring2][Ring1][C][N+1][=Branch1][C][=O][O-1]
0.751888	[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][C]
0.934916	[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]
0.321359	[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N]
1.293905	[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][S][=Ring1][=Branch2]
1.28675	[C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][#C][C]
0.718327	[C][C][C][C][C][C][C][C][C][C][N][C][C][C][C][C][C][C][C]
1.306439	[N][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
0.934131	[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]
0.940788	[C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O]
0.464991	[C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]
1.252191	[C][O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][P][=Ring1][=Branch2]
1.311571	[C][C][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]
1.252191	[C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][S][Cl]
0.745265	[O][=N+1][Branch1][C][O-1][O][C][C][Branch1][Ring1][C][O][O][N+1][=Branch1][C][=O][O-1]
0.913487	[C][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O]
1.495149	[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N]
1.435561	[C][N][Branch1][S][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]
1.337629	[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N]
0.446607	[C][C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][N][=O]
1.435561	[C][N][Branch1][=C][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]
0.652325	[C][C][=C][C][=C][Branch1][Ring2][N][=C][=O][C][=C][Ring1][=Branch2]
0.757529	[C][C][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1]
1.307251	[C][C][N][Branch1][Ring1][C][C][C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
1.541159	[F][C][Branch1][C][F][Branch1][C][F][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][NH1][Ring1][O]
0.402126	[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][#N]
0.332177	[C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
1.526056	[F][C][=C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=Ring1][=Branch2][C][Branch1][C][Br][=C][Ring1][=C][Cl]
1.062294	[C][=C][C][O][C][=Branch1][C][=O][C][C][#N]
1.158138	[C][C][Branch1][C][C][=C][C][N][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
0.541743	[C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
1.108563	[C][C][C][C][C][Branch1][C][C][C][Branch1][C][O][C][#C][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][=C][C][C][C][C][=Branch1][C][=O][O][C]
0.350657	[C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][#N]
1.289508	[C][C][O][C][=Branch1][C][=O][C][I]
1.42142	[C][N][Branch1][=N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]
1.039923	[C][C][O][C][=Branch1][C][=O][C][S]
1.429114	[C][N][Branch1][P][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]
1.157824	[C][C][C][S][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N]
0.683602	[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
1.234017	[O][=C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
0.803346	[O][=N+1][Branch1][C][O-1][O][C][C][Branch1][C][O][C][O][N+1][=Branch1][C][=O][O-1]
0.829425	[C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][N][=N][C][Branch1][C][C][Branch1][Ring1][C][#N][C][C]
0.635518	[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][C][C][C][C][Ring1][=Branch1]
1.262996	[O][C][C][I]
0.350657	[C][C][=C][C][Branch1][C][C][=O]
0.865839	[O][=C][NH1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][Ring1][N]
1.245307	[C][O][P][=Branch1][C][=O][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Cl][=C][Ring1][#Branch2][S][C]
0.682086	[C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
1.651347	[C][C][C][O][P][Branch1][C][C][=Branch1][C][=O][S][C][C][C]
1.12298	[N][=C][Branch1][C][N][N][C][C][C][C][C][C][C][C][N][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=N][N]
0.870875	[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Cl]
1.622946	[C][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][C][C][S][C][C][C]
0.728997	[C][C][N][Branch1][#C][C][C][N][C][=Branch1][C][=O][S][C][C][Branch1][C][C][C][C][=Branch1][C][=O][S][C][C][Branch1][C][C][C]
0.776109	[N][#C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]
0.953201	[C][#C][C][O][C][Branch1][C][C][=O]
1.581656	[C][C][C][S][P][=Branch1][C][=O][Branch1][Ring1][C][C][O][C]
0.98507	[C][C][O][P][=Branch1][C][=S][Branch1][C][Cl][O][C][Branch1][C][C][C]
0.449163	[O][=N+1][Branch1][C][O-1][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O]
1.541159	[C][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][C][C][S][C]
0.553885	[C][C][C][O][C][Branch1][C][N][=O]
0.995102	[C][=C][S][C][=C]
1.560458	[C][C][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][C][C][S][C]
0.766398	[C][C][C][O][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][Branch1][Ring1][C][C][C][=C][C][=C][Ring1][Branch2][C][C]
0.885419	[C][C][Branch1][C][C][=N][N][=C][Branch1][C][C][C]
1.342342	[C][C][C][P][=Branch1][C][=O][Branch1][Ring1][O][C][S][C]
0.617885	[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=C][Ring1][#Branch2]
1.265538	[C][C][C][C][P][=Branch1][C][=O][Branch1][Ring1][O][C][S][C]
0.754713	[N][#C][C][N][C][C][#N]
0.986936	[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]
1.442202	[C][C][S][P][=Branch1][C][=O][Branch1][Ring1][C][C][O][C]
0.954357	[C][N][Branch1][C][C][C][=Branch1][C][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
0.923862	[O][=N+1][Branch1][C][O-1][O][C][C][O][N+1][=Branch1][C][=O][O-1]
0.849723	[C][C][Branch1][Ring1][C][Cl][O][P][=Branch1][C][=O][Branch1][Branch2][O][C][Branch1][C][C][C][Cl][O][C][Branch1][C][C][C][Cl]
1.419245	[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring1][=C][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C]
1.58535	[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][S][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O]
1.241269	[N][#C][S][C][C][S][C][#N]
1.120374	[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
0.738121	[C][C][C][C][C][C][C][=N][O]
1.623538	[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O]
1.449504	[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring1][Branch1][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][S][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
1.337367	[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][#Branch1][O][C][Branch1][C][C][C][S][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O]
0.495306	[C][C][=C][C][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2]
1.449973	[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring1][N][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][N][=C][Branch1][C][C][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
1.084513	[N][#C][C][C][C][C][C][C][C][#N]
1.245019	[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring2][Ring1][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C]
1.50541	[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][S][C][N][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O]
0.702602	[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][P][O][C][=C][Branch1][C][F][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=C][Ring1][S]
1.34443	[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][N][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O]
0.77242	[C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
1.546498	[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring2][Branch2][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C]
1.205072	[C][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][S][P][=Branch1][C][=S][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][N][=Ring2][Ring1][Ring1]
0.908259	[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
1.461634	[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring2][=Branch2][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][N][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
0.635518	[O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Cl]
1.022811	[C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]
0.767791	[C][C][C][O][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][C][C]
1.537512	[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][S][C][N][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O]
0.968883	[N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]

0.874218

[C][C][O][P][=Branch1][C][=S][Branch1][C][Cl][O][C]

1.430072

[C][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][S][=Ring1][=Branch2]

0.884594

[O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][C][=C][Ring2][Ring1][C][N+1][=Branch1][C][=O][O-1]

0.751888

[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][C]

0.934916

[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]

0.321359

[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N]

1.293905

[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][S][=Ring1][=Branch2]

1.28675

[C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][#C][C]

0.718327

[C][C][C][C][C][C][C][C][C][C][N][C][C][C][C][C][C][C][C]

1.306439

[N][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]

0.934131

[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]

0.940788

[C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O]

0.464991

[C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]

1.252191

[C][O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][P][=Ring1][=Branch2]

1.311571

[C][C][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]

1.252191

[C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][S][Cl]

0.745265

[O][=N+1][Branch1][C][O-1][O][C][C][Branch1][Ring1][C][O][O][N+1][=Branch1][C][=O][O-1]

0.913487

[C][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O]

1.495149

[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N]

1.435561

[C][N][Branch1][S][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]

1.337629

[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N]

0.446607

[C][C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][N][=O]

1.435561

[C][N][Branch1][=C][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]

0.652325

[C][C][=C][C][=C][Branch1][Ring2][N][=C][=O][C][=C][Ring1][=Branch2]

0.757529

[C][C][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1]

1.307251

[C][C][N][Branch1][Ring1][C][C][C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]

1.541159

[F][C][Branch1][C][F][Branch1][C][F][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][NH1][Ring1][O]

0.402126

[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][#N]

0.332177

[C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]

1.526056

[F][C][=C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=Ring1][=Branch2][C][Branch1][C][Br][=C][Ring1][=C][Cl]

1.062294

[C][=C][C][O][C][=Branch1][C][=O][C][C][#N]

1.158138

[C][C][Branch1][C][C][=C][C][N][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]

0.541743

[C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]

1.108563

[C][C][C][C][C][Branch1][C][C][C][Branch1][C][O][C][#C][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][=C][C][C][C][C][=Branch1][C][=O][O][C]

0.350657

[C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][#N]

1.289508

[C][C][O][C][=Branch1][C][=O][C][I]

1.42142

[C][N][Branch1][=N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]

1.039923

[C][C][O][C][=Branch1][C][=O][C][S]

1.429114

[C][N][Branch1][P][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]

1.157824

[C][C][C][S][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N]

0.683602

[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

1.234017

[O][=C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]

0.803346

[O][=N+1][Branch1][C][O-1][O][C][C][Branch1][C][O][C][O][N+1][=Branch1][C][=O][O-1]

0.829425

[C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][N][=N][C][Branch1][C][C][Branch1][Ring1][C][#N][C][C]

0.635518

[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][C][C][C][C][Ring1][=Branch1]

1.262996

[O][C][C][I]

0.350657

[C][C][=C][C][Branch1][C][C][=O]

0.865839

[O][=C][NH1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][Ring1][N]

1.245307

[C][O][P][=Branch1][C][=O][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Cl][=C][Ring1][#Branch2][S][C]

0.682086

[C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]

1.651347

[C][C][C][O][P][Branch1][C][C][=Branch1][C][=O][S][C][C][C]

1.12298

[N][=C][Branch1][C][N][N][C][C][C][C][C][C][C][C][N][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=N][N]

0.870875

[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Cl]

1.622946

[C][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][C][C][S][C][C][C]

0.728997

[C][C][N][Branch1][#C][C][C][N][C][=Branch1][C][=O][S][C][C][Branch1][C][C][C][C][=Branch1][C][=O][S][C][C][Branch1][C][C][C]

0.776109

[N][#C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]

0.953201

[C][#C][C][O][C][Branch1][C][C][=O]

1.581656

[C][C][C][S][P][=Branch1][C][=O][Branch1][Ring1][C][C][O][C]

0.98507

[C][C][O][P][=Branch1][C][=S][Branch1][C][Cl][O][C][Branch1][C][C][C]

0.449163

[O][=N+1][Branch1][C][O-1][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O]

1.541159

[C][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][C][C][S][C]

0.553885

[C][C][C][O][C][Branch1][C][N][=O]

0.995102

[C][=C][S][C][=C]

1.560458

[C][C][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][C][C][S][C]

0.766398

[C][C][C][O][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][Branch1][Ring1][C][C][C][=C][C][=C][Ring1][Branch2][C][C]

0.885419

[C][C][Branch1][C][C][=N][N][=C][Branch1][C][C][C]

1.342342

[C][C][C][P][=Branch1][C][=O][Branch1][Ring1][O][C][S][C]

0.617885

[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=C][Ring1][#Branch2]

1.265538

[C][C][C][C][P][=Branch1][C][=O][Branch1][Ring1][O][C][S][C]

0.754713

[N][#C][C][N][C][C][#N]

0.986936

[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]

1.442202

[C][C][S][P][=Branch1][C][=O][Branch1][Ring1][C][C][O][C]

0.954357

[C][N][Branch1][C][C][C][=Branch1][C][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]

0.923862

[O][=N+1][Branch1][C][O-1][O][C][C][O][N+1][=Branch1][C][=O][O-1]

0.849723

[C][C][Branch1][Ring1][C][Cl][O][P][=Branch1][C][=O][Branch1][Branch2][O][C][Branch1][C][C][C][Cl][O][C][Branch1][C][C][C][Cl]

1.419245

[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring1][=C][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C]

1.58535

[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][S][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O]

1.241269

[N][#C][S][C][C][S][C][#N]

1.120374

[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

0.738121

[C][C][C][C][C][C][C][=N][O]

1.623538

[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O]

1.449504

[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring1][Branch1][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][S][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]

1.337367

[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][#Branch1][O][C][Branch1][C][C][C][S][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O]

0.495306

[C][C][=C][C][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2]

1.449973

[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring1][N][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][N][=C][Branch1][C][C][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C]

1.084513

[N][#C][C][C][C][C][C][C][C][#N]

1.245019

[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring2][Ring1][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C]

1.50541

[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][S][C][N][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O]

0.702602

[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][P][O][C][=C][Branch1][C][F][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=C][Ring1][S]

1.34443

[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][N][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O]

0.77242

[C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]

1.546498

[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring2][Branch2][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C]

1.205072

[C][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][S][P][=Branch1][C][=S][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][N][=Ring2][Ring1][Ring1]

0.908259

[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]

1.461634

[C][O][N][=C][Branch1][C][C][C][=Branch2][Ring2][=Branch2][=N][O][C][=Branch1][C][=O][N][Branch1][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][N][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C]

0.635518

[O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Cl]

1.022811

[C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]

0.767791

[C][C][C][O][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][C][C]

1.537512

[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][S][C][N][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O]

0.968883

[N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]