Index	SMILES	Probability	Label
Compound_1	Fc1ccc(cc1)[C@H]1N(CCc2c1ccc(c2)O)c1ccccc1	0.22	0.0
Compound_2	Oc1ccc(cc1)C[C@@H](C(F)(F)F)c1ccc(cc1)O	0.98	1.0
Compound_3	Oc1ccc(cc1)CC(C(=O)C(F)(F)F)c1ccc(cc1)O	0.96	1.0
Compound_4	Oc1ccc2c(c1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)CCCCCCCCC(C(=O)O)CCCC(C(F)(F)F)(F)F	0.21	0.0
Compound_5	O=[S@]1[C@H]2C[C@@H]([C@@H]1C(=C2c1ccc(cc1C)O)c1ccc(cc1C)O)S(=O)(=O)Oc1ccccc1F	0.91	1.0
Compound_6	Oc1ccc(c(c1)C)C1=C(c2ccc(cc2C)O)[C@H]2[S@@](=O)[C@@H]1[C@H](C2)S(=O)(=O)Oc1ccc(cc1)F	0.91	1.0
Compound_7	O=[S@]1[C@H]2C[C@@H]([C@@H]1C(=C2c1ccc(c(c1)C)O)c1ccc(c(c1)C)O)S(=O)(=O)Oc1ccccc1F	0.91	1.0
Compound_8	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@H]2O)C)c1ccc(cc1)OCCCCCS(=O)(=O)C(C(F)(F)F)(F)F	0.9	1.0
Compound_9	Oc1ccc(cc1)[C@@]1(C)CSc2c([C@H]1CCCCCCCCC(C(=O)O)CCCCCC(C(F)(F)F)(F)F)ccc(c2)O	0.56	1.0
Compound_10	Oc1ccc(cc1)[C@@]1(C)CSc2c([C@H]1CCCCCCCCCC(C(=O)O)CCCCC(C(F)(F)F)(F)F)ccc(c2)O	0.56	1.0
Compound_11	Oc1ccc(cc1)[C@@]1(C)CSc2c([C@H]1CCCCCCCCC(C(=O)O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)ccc(c2)O	0.57	1.0
Compound_12	COC(=O)C(CCCC(C(F)(F)F)(F)F)CCCCCCCC[C@@H]1c2ccc(cc2SC[C@]1(C)c1ccc(cc1)O)O	0.75	1.0
Compound_13	Oc1ccc(cc1)C[C@@H](C(C(F)(F)F)(F)F)c1ccc(cc1)O	0.98	1.0
Compound_14	Oc1ccc(cc1)[C@@]1(C)COc2c([C@H]1CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)ccc(c2)O	0.76	1.0