Index	SMILES	Probability	Label
Compound_1	Brc1cc(Br)c(c(c1)Br)O	0.99	1.0
Compound_2	COC(=O)c1ccccc1O	0.94	1.0
Compound_3	O=C(c1ccccc1)CC(=O)c1ccccc1	0.92	1.0
Compound_4	N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C	0.38	0.0
Compound_5	CCOc1cc(C=O)ccc1O	0.97	1.0
Compound_6	COc1cc(C=O)ccc1O	0.93	1.0
Compound_7	OCCOc1ccccc1	0.97	1.0
Compound_8	CC(CC(CC(CC(C)C)O)C)C	0.68	1.0
Compound_9	Oc1ccc(cc1)O	0.99	1.0
Compound_10	CCCCCC(=O)OCC	0.95	1.0
Compound_11	[S-]C(=S)NCCNC(=S)[S-]	0.27	0.0
Compound_12	Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl	0.99	1.0
Compound_13	CC(=O)O[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C	0.2	0.0
Compound_14	OC(=O)CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.92	1.0
Compound_15	CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C	0.93	1.0
Compound_16	Oc1ccc(c(c1)O)C(=O)c1ccc(cc1O)O	1.0	1.0
Compound_17	c1ccc2c(c1)sc1c2cccc1	1.0	1.0
Compound_18	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.66	1.0
Compound_19	[S-]c1ccccn1=O	0.59	1.0
Compound_20	CCc1cc(Cc2cc(CC)c(c(c2)CC)N)cc(c1N)CC	0.62	1.0