Index SMILES Probability Label Compound_1 CCCCCOS(=O)OCC(C)C 0.82 1.0 Compound_2 OCCCCCCC(CO)C 0.94 1.0 Compound_3 CCCCCCCCCO 0.97 1.0 Compound_4 CN(CCN1NC1(C)C)C 0.04 0.0 Compound_5 CCCCC(CC)(C)C 0.95 1.0 Compound_6 CCCC(C(CC)C)C 0.94 1.0 Compound_7 C=CCCCCCCCC=C 0.98 1.0 Compound_8 OCCOCC 0.99 1.0 Compound_9 CCC(CC(C)C)(C)C 0.98 1.0 Compound_10 CC(c1cccc(c1)c1ccccc1)C 0.99 1.0 Compound_11 C=CC(CC(C)C)(C)C 0.93 1.0 Compound_12 CC(c1ccc(cc1)c1ccccc1)C 0.99 1.0 Compound_13 Cc1ccc(cc1)c1ccccc1 0.89 1.0 Compound_14 CCCCCCCC(=O)C 0.96 1.0 Compound_15 c1cnc2c(n1)CCc1c(CC2)nccn1 0.65 1.0 Compound_16 CCCCCCC=CCO 0.94 1.0 Compound_17 CCCCCCCCC=O 0.96 1.0 Compound_18 CCCCCCC=CCO 0.94 1.0