Index	SMILES	Probability	Label
Compound_1	Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F	0.0	0.0
Compound_2	OCc1c(CSSCc2cnc(c(c2CO)O)C)cnc(c1O)C	0.02	0.0
Compound_3	O=C(NC1CCC(CC1)CCN1CCc2c(CC1)ccc(c2)c1noc(n1)C)/C=C/c1ccc(cc1)F	0.03	0.0
Compound_4	Oc1ccc2c(c1)oc(=O)cc2C	0.76	1.0
Compound_5	O=C(Nc1ccc2c(c1)c(N)cc(n2)C)Nc1ccc2c(c1)c(N)cc(n2)C	0.27	0.0