Index	SMILES	Probability	Label
Compound_1	CC(c1ccc(cc1)S)(C)C	0.99	1.0
Compound_2	Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1	0.89	1.0
Compound_3	CCCCCC1C(CCC1=O)CC(=O)OC	0.88	1.0
Compound_4	[S-]c1nc2c(s1)cccc2	0.98	1.0
Compound_5	CCCCCCC(S)(C)C	0.86	1.0
Compound_6	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	0.52	1.0
Compound_7	CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C	0.11	0.0
Compound_8	C=CCOC(=O)c1cc(ccc1C(=O)OCC=C)C(=O)OCC=C	0.98	1.0
Compound_9	CCCc1ccc(cc1)N	0.96	1.0
Compound_10	CC(OC(=O)c1ccccc1)COCC(OC(=O)c1ccccc1)C	0.91	1.0
Compound_11	CCCCCCCCCCCCc1cccc(c1)S(=O)(=O)O	0.33	0.0
Compound_12	Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.99	1.0
Compound_13	OC(=O)C(=O)Nc1cc(C)c(c(c1)C)Oc1ccc(c2c1CCC2)O	0.42	0.0
Compound_14	CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC	0.43	0.0
Compound_15	C=CC(=O)OCCCCCC(C)C	0.99	1.0
Compound_16	CCSCSP(=S)(OCC)OCC	0.92	1.0
Compound_17	CCSCCSP(=S)(OCC)OCC	0.7	1.0
Compound_18	NC(=O)N1c2ccccc2C=Cc2c1cccc2	0.01	0.0
Compound_19	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_20	C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C	0.02	0.0