Index	SMILES	Probability	Label
Compound_1	CCCOCCN(c1c(CC)cccc1CC)C(=O)CCl	0.98	1.0
Compound_2	OCCN(c1c(CC)cccc1CC)C(=O)CCl	0.66	1.0
Compound_3	OCCNc1c(CC)cccc1CC	0.06	0.0
Compound_4	CCCOCCNc1c(CC)cccc1CC	0.44	0.0
Compound_5	CCCOCCN(c1c(CC)cccc1CC)C(=O)CO	0.68	1.0
Compound_6	OCCN(c1c(CC)cccc1CC)C(=O)CO	0.16	0.0
Compound_7	OC(=O)CCl	0.8	1.0
Compound_8	CCCOCCN(c1c(CC)cccc1CC)C(=O)C	0.82	1.0
Compound_9	CCc1cccc(c1N1CCOCC1=O)CC	0.28	0.0
Compound_10	CCCOCCN(c1c(CC)ccc(c1CC)O)C(=O)CCl	0.73	1.0
Compound_11	CCCOCCN(C1=C(CC)C(=O)C=CC1CC)C(=O)CCl	0.65	1.0
Compound_12	CCCOCCNc1c(CC)ccc(c1CC)O	0.12	0.0
Compound_13	CCCOCCNC1=C(CC)C(=O)C=CC1CC	0.09	0.0
Compound_14	CCCOCCN(c1c(CC)cccc1CC)O	0.79	1.0
Compound_15	CCCOCCN(c1c(CC)cccc1CC)Cl	0.89	1.0
Compound_16	CCc1cccc(c1NCCOCC(=O)O)CC	0.02	0.0
Compound_17	CCC1C=CC(=O)C(=C1N1CCOCC1=O)CC	0.14	0.0