lhallee/LD50_selfies_log · Datasets at Hugging Face

labels float64 -1.23 2.32	seqs stringlengths 6 382
0.930982	[C][C][C][Branch1][C][O][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.375006	[C][C][C][=Branch1][C][=O][O]
0.514618	[C][C][C][Branch1][C][O][C][C]
0.378436	[C][C][C][Branch1][C][O][O][C][C][C][O][C]
0.907452	[C][C][C][Branch1][#Branch1][O][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
0.660107	[C][C][=C][C][O][C][Branch1][Ring1][C][C][O][C][C][=C][C]
0.306749	[C][C][C][=C][Branch1][C][C][C][=O]
0.269263	[C][C][C][=C][Branch1][C][C][C][O]
0.683602	[C][C][C][=C][C][=C][C][=O]
0.284427	[C][C][C][=C][C][C][O]
0.431782	[C][C][C][=C][C][C][O][C][C][=O]
0.479335	[C][C][C][=O]
0.478096	[C][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1]
1.097612	[C][C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][Branch1][C][C][C]
0.632866	[C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][Branch1][C][C][C]
0.717352	[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][Branch1][C][C][C][O][C]
0.879627	[C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O]
0.747635	[C][C][C][=C][C][Branch1][Ring1][C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][=N]
0.511625	[C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][Branch1][C][Cl][Cl][C][=C][Ring2][Ring1][C]
0.482426	[C][=C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2]
0.651804	[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N]
0.90138	[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][C][Cl]
0.393393	[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.684611	[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
0.923465	[C][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1]
0.710496	[C][=C][C][=C][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2]
0.436318	[C][C][C][=C][C][=C][Branch1][Ring2][C][C][O][N][=C][Ring1][=Branch2]
0.741937	[C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=S][=C][C][=N][Ring1][=Branch2]
0.789366	[C][C][C][C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O][Ring1][=N]
0.863733	[C][C][C][C][C][C][Branch1][C][C][N][C][Ring1][#Branch1]
0.769645	[C][C][C][C][O][Ring1][Ring1]
0.37638	[C][C][C][O][C][Ring1][Ring1][Branch1][C][C][C]
1.144541	[C][C][C][C][#N]
0.698135	[C][C][C][C][=Branch1][Branch1][=N][O][C][C][C][=C][Branch1][C][O][C][C][Branch1][=Branch2][C][C][Branch1][C][C][S][C][C][C][C][Ring1][=N][=O]
0.375693	[C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C]
1.041689	[C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][#C][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1]
0.38798	[C][C][C][C][=Branch1][C][=O][C][C]
0.396088	[C][C][C][C][=Branch1][C][=O][C][C][C]
0.905836	[C][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C]
0.118672	[C][=C][O][C][=Branch1][C][=O][C][C][C]
0.563608	[C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
-0.050241	[C][C][C][C][=Branch1][C][=O][O][C][C]
0.996949	[C][=C][C][O][C][=Branch1][C][=O][C][C][C]
0.483043	[C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.675492	[C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0.830733	[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
0.849723	[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O]
0.548699	[C][C][C][C][Branch1][C][C][=O]
0.514021	[C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2]
0.562469	[C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
1.293631	[C][C][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][O]
0.620576	[C][C][C][C][Branch1][C][C][C][O]
0.254642	[C][C][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=O]
0.465619	[C][C][C][C][Branch1][C][C][C][O][C][C][O]
0.423305	[C][C][C][C][Branch1][C][C][C][O][C][C][O][C][C][O]
0.913888	[C][C][C][C][Branch1][C][C][O][C][Branch1][C][N][=O]
0.103459	[C][C][C][C][Branch1][O][C][C][Branch1][Ring2][O][C][C][O][C][C][O][C][C]
0.847155	[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O]
0.497132	[C][C][C][C][=Branch1][C][=O][O]
0.702602	[C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][C][C][O]
0.336472	[C][C][C][C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O]
0.587231	[C][C][C][C][=C][Branch1][Ring1][C][=O][C][C]
0.741937	[C][C][C][C][=C][C][=O]
0.37638	[C][C][C][C][=C][C][O]
0.678034	[C][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=S][=C][C][=N][Ring1][=Branch2]
0.591114	[C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
0.889947	[C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
0.427227	[C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
0.261595	[C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.889947	[C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
0.621114	[C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
1.114486	[C][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring1][=N]
1.1207	[C][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][=C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][C][=N][Ring1][S]
0.375693	[C][C][C][C][O][C][Ring1][Ring1][Branch1][Ring1][C][C][C][O]
0.480573	[C][C][C][C][C][=Branch1][C][=O][C][C]
0.461845	[C][C][C][C][C][Branch1][C][C][=O]
0.489193	[C][C][C][C][C][Branch1][Ring1][C][=O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.406798	[C][C][C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]
0.944295	[C][C][C][C][C][Branch1][Ring1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O]
0.469378	[C][=C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C]
0.519984	[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O]
0.536493	[C][C][C][C][C][Branch1][Ring1][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O]
0.274597	[C][C][C][C][C][Branch1][Branch2][C][=C][C][Branch1][C][C][=O][C][C]
0.429182	[C][C][C][C][C][Branch1][Ring1][C][=O][C][C]
0.86289	[C][C][C][C][C][Branch1][Ring1][C][C][C][C][C][Branch1][C][C][N]
0.267734	[C][C][C][C][C][Branch1][Ring1][C][C][C][Cl]
0.899348	[C][C][C][C][C][Branch1][Ring1][C][C][C][N]
0.567584	[C][C][C][C][C][Branch1][Ring1][C][C][C][N][Branch1][Ring2][C][C][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
0.347836	[C][C][C][C][C][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O]
0.905836	[C][C][C][C][C][Branch1][Ring1][C][C][C][N][C][C][C][C][C][C][Ring1][=Branch1]
0.773805	[C][C][C][C][C][Branch1][Ring1][C][C][C][N][C][C][Branch1][Ring1][C][C][C][C][C][C]
0.589452	[C][C][C][C][C][Branch1][Ring1][C][C][C][O]
-0.060812	[C][C][C][C][C][Branch1][Ring1][C][C][C][O][Si][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][C][C][C][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][C][C][C][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
-0.022246	[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C]
0.414094	[C][=C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
0.064851	[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
0.10075	[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
0.303063	[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C][=C][Ring1][P]
0.840273	[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
0.475613	[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C]

0.930982

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

0.375006

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

0.514618

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

0.378436

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

0.907452

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

0.660107

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

0.306749

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

0.269263

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

0.683602

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

0.284427

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

0.431782

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

0.479335

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

0.478096

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

1.097612

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

0.632866

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

0.717352

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

0.879627

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

0.747635

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

0.511625

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

0.482426

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

0.651804

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

0.90138

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

0.393393

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

0.684611

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

0.923465

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

0.710496

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

0.436318

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

0.741937

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

0.789366

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

0.863733

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

0.769645

[C][C][C][C][O][Ring1][Ring1]

0.37638

[C][C][C][O][C][Ring1][Ring1][Branch1][C][C][C]

1.144541

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

0.698135

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

0.375693

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

1.041689

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

0.38798

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

0.396088

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

0.905836

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

0.118672

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

0.563608

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

-0.050241

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

0.996949

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

0.483043

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

0.675492

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

0.830733

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

0.849723

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

0.548699

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

0.514021

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

0.562469

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

1.293631

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

0.620576

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

0.254642

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

0.465619

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

0.423305

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

0.913888

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

0.103459

[C][C][C][C][Branch1][O][C][C][Branch1][Ring2][O][C][C][O][C][C][O][C][C]

0.847155

[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O]

0.497132

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

0.702602

[C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][C][C][O]

0.336472

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

0.587231

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

0.741937

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

0.37638

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

0.678034

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

0.591114

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

0.889947

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

0.427227

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

0.261595

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

0.889947

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

0.621114

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

1.114486

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

1.1207

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

0.375693

[C][C][C][C][O][C][Ring1][Ring1][Branch1][Ring1][C][C][C][O]

0.480573

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

0.461845

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

0.489193

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

0.406798

[C][C][C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]

0.944295

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

0.469378

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

0.519984

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

0.536493

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

0.274597

[C][C][C][C][C][Branch1][Branch2][C][=C][C][Branch1][C][C][=O][C][C]

0.429182

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

0.86289

[C][C][C][C][C][Branch1][Ring1][C][C][C][C][C][Branch1][C][C][N]

0.267734

[C][C][C][C][C][Branch1][Ring1][C][C][C][Cl]

0.899348

[C][C][C][C][C][Branch1][Ring1][C][C][C][N]

0.567584

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

0.347836

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

0.905836

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

0.773805

[C][C][C][C][C][Branch1][Ring1][C][C][C][N][C][C][Branch1][Ring1][C][C][C][C][C][C]

0.589452

[C][C][C][C][C][Branch1][Ring1][C][C][C][O]

-0.060812

[C][C][C][C][C][Branch1][Ring1][C][C][C][O][Si][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][C][C][C][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][C][C][C][O][C][C][Branch1][Ring1][C][C][C][C][C][C]

-0.022246

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

0.414094

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

0.064851

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

0.10075

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

0.303063

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

0.840273

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

0.475613

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