Index	SMILES	Probability	Label
Compound_1	Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C	0.19	0.0
Compound_2	CCC(=C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1	0.19	0.0
Compound_3	O=C1CCC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C	0.14	0.0
Compound_4	O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.92	1.0
Compound_5	OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N	0.03	0.0
Compound_6	CC(CCCC(C1CCC2C1(C)CCCC2=CC=C1CC(O)CCC1=C)C)C	0.03	0.0
Compound_7	CC(c1ccc(cc1)O)(c1ccc(cc1)O)C	1.0	1.0
Compound_8	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.98	1.0
Compound_9	CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl	0.12	0.0
Compound_10	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.13	0.0
Compound_11	N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl	0.98	1.0
Compound_12	O=N(=O)N=C1NCCN1Cc1ccc(nc1)Cl	0.17	0.0
Compound_13	Cc1ccc(cc1)O	0.97	1.0
Compound_14	OC(=O)c1ccc(cc1)C(=O)O	0.69	1.0