Index	SMILES	Probability	Label
Compound_1	CSCC[C@@H](C(=O)O)N	0.01	0.0
Compound_2	CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.86	1.0
Compound_3	N[C@@H]1[C@@H]2[C@H]1CN(C2)c1nc2c(cc1F)c(=O)c(cn2c1ccc(cc1F)F)C(=O)O	0.0	0.0
Compound_4	CS(=O)C	0.94	1.0
Compound_5	S=C=NCCCCS(=O)C	0.04	0.0
Compound_6	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)N(=O)=O)C(F)(F)F	0.95	1.0
Compound_7	O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C	0.77	1.0
Compound_8	COS(=O)(=O)C	0.87	1.0
Compound_9	COP(=S)(Oc1ccc(c(c1)C)N(=O)=O)OC	0.99	1.0
Compound_10	COP(=S)(OC)N	0.85	1.0
Compound_11	COP(=O)(OC=C(Cl)Cl)OC	0.04	0.0
Compound_12	COP(=O)(OC(=CC(=O)N(C)C)C)OC	0.94	1.0
Compound_13	COP(=O)(OC)O	0.31	0.0
Compound_14	COP(=O)(SC)N	0.71	1.0
Compound_15	COP(=O)(OC)C	0.94	1.0
Compound_16	COCCOCCOCCOC	0.92	1.0
Compound_17	COCCOCCOCCO	0.98	1.0
Compound_18	COCCOCCOC	0.94	1.0
Compound_19	COCCOCCO	0.99	1.0
Compound_20	COCCOC[C@@H](C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=O)NC1CCC(CC1)C(=O)O	0.02	0.0