Index SMILES Probability Label Compound_1 OC(=O)c1ccc(cc1)c1csc(c1)c1cnc2c(n1)C(C)(C)CCC2(C)C 0.31 0.0 Compound_2 C/C(=C/C=CC(=CC(=O)O)C)/C=C/C1=C(C)CCCC1(C)C 0.13 0.0 Compound_3 Oc1ccc(cc1c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cc1)C(=O)O 0.86 1.0 Compound_4 C/C(=C\c1coc2c(c1=O)cc1c(c2)C(C)(C)CCC1(C)C)/C=C(/C(=O)O)\C 0.41 0.0 Compound_5 OC(=O)c1ccc(cc1F)c1noc(n1)c1nc2c(o1)c(C)ccc2C 0.05 0.0 Compound_6 Cc1ccc(cc1)C1=CC(C)(C)Sc2c1cc1cc(ccc1c2)c1ccc(cc1)C(=O)O 0.91 1.0 Compound_7 OC(=O)c1ccc(cc1)c1nnc(o1)c1cc2c(o1)c(C)ccc2C 0.11 0.0 Compound_8 COCCOCOc1ccc(cc1c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(c(c1)C)C(=O)O 0.31 0.0 Compound_9 OCCOc1ccc(cc1c1ccc(c(c1)C(C)(C)C)N(CC)CC)c1ccc(cc1)C(=O)O 0.11 0.0 Compound_10 OC(=O)c1ccc(cc1)c1ccc(c(c1)c1ccc2c(c1)C(C)(C)CCC2(C)C)OCCCNC1CC1 0.01 0.0 Compound_11 Cc1ccc(cc1)C1=CCC(c2c1cc(cc2)C#Cc1ccc(cc1)C(=O)O)(C)C 0.33 0.0 Compound_12 COc1ccc(cc1C1(C)CCCCC1)/C(=C/c1ccc(cc1)C(=O)O)/C 0.36 0.0 Compound_13 C/C(=C\c1ncc(s1)C(=O)O)/c1ccc2c(c1)C(C)(C)CCC2(C)C 0.58 1.0 Compound_14 COCCOCOc1c(Cl)cc(cc1c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cc1)C(=O)O 0.61 1.0 Compound_15 OC(=O)c1ccc2c(c1)OCC(=C2)c1ccc2c(c1)C(C)(C)CCC2(C)C 0.57 1.0 Compound_16 OC(=O)c1ccc(cc1F)c1noc(n1)c1cc2c(o1)c(C)ccc2C 0.05 0.0