Index	SMILES	Probability	Label
Compound_1	O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl	0.78	1.0
Compound_2	O=S(=O)(c1ccccc1)c1ccccc1	0.95	1.0
Compound_3	Sc1ccccc1	0.98	1.0
Compound_4	c1ccc(cc1)Oc1ccccc1	0.99	1.0
Compound_5	Brc1ccc(cc1)Oc1ccccc1	1.0	1.0
Compound_6	Oc1ccccc1	0.96	1.0
Compound_7	NNc1ccccc1	0.96	1.0
Compound_8	NC(=S)Nc1ccccc1	0.87	1.0
Compound_9	c1ccc(cc1)N=Nc1ccccc1	0.89	1.0
Compound_10	OCc1ccccc1	0.07	0.0
Compound_11	NCc1ccccc1	0.8	1.0
Compound_12	c1ccc(cc1)CCc1ccccc1	0.8	1.0
Compound_13	O=CCCc1ccccc1	0.71	1.0
Compound_14	c1ccc(cc1)Cc1ccccc1	0.95	1.0
Compound_15	OC(=O)Cc1ccccc1	0.64	1.0
Compound_16	c1ccc(cc1)c1n[nH]nn1	0.88	1.0
Compound_17	Oc1ccc(cc1)c1ccccc1	0.34	0.0
Compound_18	Oc1ccc(cc1Cl)c1ccccc1	1.0	1.0
Compound_19	O=N(=O)C=Cc1ccccc1	0.93	1.0
Compound_20	ClC(c1ccccc1)(Cl)Cl	0.92	1.0
Compound_21	N#Cc1ccccc1	0.99	1.0
Compound_22	OC/C=C/c1ccccc1	0.82	1.0
Compound_23	OC(=O)/C=C/c1ccccc1	0.7	1.0
Compound_24	Oc1ccccc1Br	0.99	1.0
Compound_25	Clc1nc(nc(n1)Cl)Nc1ccccc1Cl	0.98	1.0
Compound_26	O=Cc1ccccc1O	0.97	1.0
Compound_27	O=C1C=CC(=O)O1	0.85	1.0
Compound_28	O=C1C=CC(=O)C=C1	0.81	1.0