Index	SMILES	Probability	Label
Compound_1	CC[C@@]12CCC3C(C2CC[C@@H]1O)CCC1[C@@H]3CCC(=O)C1	0.36	0.0
Compound_2	CC[C@@]12CCC3C(C2CC[C@@H]1O)CCC1=CC(=O)CC[C@H]31	0.17	0.0
Compound_3	CC[C@@]12CCC3C(C2CCC1=O)CCC1=CC(=O)CC[C@H]31	0.98	1.0