Index SMILES Probability Label Compound_1 c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3 1.0 1.0 Compound_2 c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3 1.0 1.0 Compound_3 Clc1ccc(c(c1)Cc1ccccc1)O 0.97 1.0 Compound_4 Cc1nc(Nc2ccccc2)nc(c1)C1CC1 0.96 1.0 Compound_5 CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC 0.07 0.0 Compound_6 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 0.01 0.0 Compound_7 O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl 0.99 1.0 Compound_8 Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O 0.99 1.0 Compound_9 CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl 0.07 0.0 Compound_10 Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl 0.99 1.0 Compound_11 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 0.99 1.0