Index	SMILES	Probability	Label
Compound_1	ON=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2(C#C)OC(=O)C)CC	0.07	0.0
Compound_2	Clc1ccc2c(c1)C(=NC(C(=O)N2C)OC(=O)N(C)C)c1ccccc1	0.05	0.0
Compound_3	O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1	0.0	0.0
Compound_4	OC(=O)CCC(=O)c1ccc(cc1CCC(c1cc(cc(c1O)n1nc2c(n1)cccc2)C(C)(C)C)C)c1ccccc1	0.05	0.0
Compound_5	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1	0.0	0.0
Compound_6	OC(COc1ccccc1C1CCCC1)CNC(C)(C)C	0.0	0.0
Compound_7	Clc1ccc2c(c1)C(=NCC(=S)N2CC(F)(F)F)c1ccccc1F	0.03	0.0
Compound_8	Cc1ccc(cc1)C=C1C(=O)C2(C(C1CC2)(C)C)C	0.97	1.0
Compound_9	CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=O)N)O)O	0.0	0.0
Compound_10	CC(=O)OC1C(OC(=O)C)OC(C1OC(=O)C)C	0.39	0.0
Compound_11	O=C(C(NC(=O)c1ccccc1)Cc1ccc(cc1)O)Nc1ccc(cc1)C(=O)O	0.06	0.0
Compound_12	OC(c1cc(Cl)c(c(c1)Cl)N)CNC(C)(C)C	0.0	0.0