Index SMILES Probability Label Compound_1 CCCCC1CCC2=CC=c3oc(nc3=C/C(=C(\C(=C/C(=C\2/Br)/Br)\C(=O)OC1)/Br)/Br)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2 0.22 0.0