Index	SMILES	Probability	Label
Compound_1	COP(=O)(SC)N	0.71	1.0
Compound_2	COP(=O)(OC)C	0.94	1.0
Compound_3	COC(=O)Nc1ccc(c(c1)Cl)Cl	0.97	1.0
Compound_4	CCNc1nc(N)nc(n1)Cl	0.92	1.0
Compound_5	CCNc1ccccc1	0.71	1.0
Compound_6	CCCc1ccccc1	0.91	1.0
Compound_7	CC1=CC2C(C1C)C1CC2C=C1	0.92	1.0
Compound_8	Cc1ccccc1S	0.94	1.0
Compound_9	Cc1ccc(cc1)S	0.98	1.0
Compound_10	Cc1cc(=O)[nH]o1	0.07	0.0
Compound_11	C=Cc1cccc(c1)C	0.99	1.0
Compound_12	Cc1ccc(c(c1)N(=O)=O)N(=O)=O	0.97	1.0
Compound_13	Clc1c(C)cc(c(c1C)Cl)O	0.99	1.0
Compound_14	CC=C1CC2CC1C=C2	0.77	1.0
Compound_15	CC(Cl)(Cl)C	0.97	1.0
Compound_16	CC(=O)Nc1ccc(cc1)O	0.91	1.0
Compound_17	C1N2CN3CN1CN(C2)C3	0.22	0.0
Compound_18	OCCN1CCNCC1	0.18	0.0
Compound_19	O=C(N1CCOC21CCCCC2)C(Cl)Cl	0.09	0.0
Compound_20	OS(=O)(=O)NC1CCCCC1	0.04	0.0
Compound_21	Oc1ccc(cc1C1CCCC1)Cl	0.85	1.0
Compound_22	ON=C1CCCCC1	0.53	1.0
Compound_23	ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl	0.97	1.0
Compound_24	SCc1ccco1	0.74	1.0
Compound_25	N#Cc1ccncc1	0.96	1.0
Compound_26	OCCc1ccccn1	0.16	0.0
Compound_27	N#Cc1ccccn1	0.98	1.0
Compound_28	OS(=O)(=O)c1ccc2c(c1)cccc2	0.94	1.0
Compound_29	O=C1C=CC(=O)c2c1cccc2	0.83	1.0
Compound_30	c1ccc2c(c1)Sc1c(O2)cccc1	0.9	1.0