Index SMILES Probability Label Compound_1 ClC(=O)c1ccc(cc1)C(=O)Cl 0.99 1.0 Compound_2 Oc1ccc(cc1)N(=O)=O 0.99 1.0 Compound_3 Clc1ccc(cc1)N(=O)=O 0.91 1.0 Compound_4 O=N(=O)c1ccc(cc1)N(=O)=O 0.99 1.0 Compound_5 C=Cc1ccncc1 0.96 1.0 Compound_6 C/C(=C\c1ccccc1)/N(=O)=O 0.94 1.0 Compound_7 ClC/C=C\Cl 0.97 1.0 Compound_8 N#CC(C(=O)N)(Br)Br 0.95 1.0