Index	SMILES	Probability	Label
Compound_1	COCCc1ccc(cc1)OCC(CNC(C)C)O	0.0	0.0
Compound_2	CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O	0.0	0.0
Compound_3	CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC	0.05	0.0
Compound_4	OC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2	0.19	0.0
Compound_5	Nc1cc(nc(=N)n1O)N1CCCCC1	0.01	0.0
Compound_6	CC1CCC(C(=O)C1)C(S)(C)C	0.51	1.0
Compound_7	N#Cc1cc(Br)ccc1N	0.95	1.0
Compound_8	OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C	0.01	0.0
Compound_9	CCn1cc(C(=O)O)c(=O)c2c1cc(cc2)c1ccncc1	0.05	0.0
Compound_10	OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1	0.21	0.0
Compound_11	OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C	0.0	0.0
Compound_12	CCCn1c(=O)[nH]c(=O)c2c1nc[nH]2	0.01	0.0