Index	SMILES	Probability	Label
Compound_1	C/C(=C\COC(=O)C)/CCC=C(C)C	0.62	1.0
Compound_2	OC/C=C(/CCC=C(C)C)\C	0.06	0.0
Compound_3	OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C	0.2	0.0
Compound_4	CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C	0.53	1.0
Compound_5	CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C	0.11	0.0
Compound_6	O=CC=C(C)C	0.88	1.0
Compound_7	CC(=CC(=O)O)C	0.34	0.0
Compound_8	CC(=CC(=O)C)C	0.66	1.0
Compound_9	CC(=C)OC(=O)C	0.89	1.0
Compound_10	CC(=C)CCO	0.9	1.0
Compound_11	CC(=C)C=O	0.99	1.0
Compound_12	CC#Cc1nc(Nc2ccccc2)nc(c1)C	0.97	1.0
Compound_13	O1COCOC1	0.86	1.0
Compound_14	NC(=O)c1ccc(cc1)c1[nH]c(c(n1)c1ccc2c(c1)OCO2)c1ccccn1	0.27	0.0
Compound_15	C1N2CN3CN1CN(C2)C3	0.22	0.0
Compound_16	O=c1[nH]c(nc2c1CSCC2)c1ccc(cc1)C(F)(F)F	0.01	0.0
Compound_17	N#CN=C1SCCN1Cc1ccc(nc1)Cl	0.02	0.0
Compound_18	O=S1(=O)OCCO1	0.84	1.0
Compound_19	O=S1(=O)CCCO1	0.9	1.0
Compound_20	O1CCN(CC1)SSN1CCOCC1	0.59	1.0