Index	SMILES	Probability	Label
Compound_1	CC(=O)C1=C(C)C2CC3(C1)C(C)CCC3C2(C)C	0.82	1.0
Compound_2	O=C(C1N2C(=O)C(C2SC1(C)C)N=CN1CCCCCC1)OCOC(=O)C(C)(C)C	0.01	0.0
Compound_3	OC(=O)C1N2C(=O)C(C2SC1(C)C)N=CN1CCCCCC1	0.01	0.0
Compound_4	OC(=O)C(c1ccc(s1)C(=O)c1ccccc1)C	0.11	0.0
Compound_5	CCOC(=O)c1cncn1C(c1ccccc1)C	0.62	1.0
Compound_6	NCC(=O)CCC(=O)OC	0.06	0.0
Compound_7	COc1ccc2c(c1)C(=O)N(C(=O)C2(C)C)CCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1	0.02	0.0
Compound_8	OC(=O)Cc1cc(c(n1C)C(=O)c1ccc(cc1)Cl)C	0.0	0.0
Compound_9	CCc1sc2c(c1)C(=NCC(=O)N2C)c1ccccc1Cl	0.02	0.0
Compound_10	O=C1CCCC2=C1C(C)(C)C(C2(C)C)C	0.98	1.0
Compound_11	CNCCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N	0.02	0.0
Compound_12	OC(=O)C(c1cccc(c1)Oc1ccccc1)C	0.02	0.0
Compound_13	O=C1OCCCCCCCCCCCCC=C1	0.97	1.0