Index	SMILES	Probability	Label
Compound_1	S=C1NCCN1	0.27	0.0
Compound_2	OCCO	0.98	1.0
Compound_3	OCc1occ(c(=O)c1)O	0.9	1.0
Compound_4	N#Cc1cc(I)c(c(c1)I)O	0.31	0.0
Compound_5	Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl	0.51	1.0
Compound_6	NCCS(=O)(=O)O	0.03	0.0
Compound_7	NC(=S)N	0.87	1.0
Compound_8	OC(=O)C(=O)N	0.03	0.0
Compound_9	N	0.94	1.0
Compound_10	COS(=O)(=O)C	0.87	1.0
Compound_11	COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.99	1.0
Compound_12	COC(=O)Nc1nc2c([nH]1)cccc2	0.89	1.0
Compound_13	CNNC	0.82	1.0
Compound_14	Cn1cc[nH]c1=S	0.01	0.0
Compound_15	Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1)Cl	1.0	1.0
Compound_16	Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1Cl)Cl	1.0	1.0
Compound_17	Clc1ccc(cc1c1cc(Cl)ccc1Cl)Cl	0.98	1.0
Compound_18	Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl	0.99	1.0
Compound_19	CCO	0.99	1.0
Compound_20	CCCc1cc(=O)[nH]c(=S)[nH]1	0.88	1.0