Index	SMILES	Probability	Label
Compound_1	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.13	0.0
Compound_2	OC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.04	0.0
Compound_3	Clc1ccc(cc1)C(=O)NCCc1ccc(cc1)OC(C(=O)O)(C)C	0.01	0.0
Compound_4	OC(=O)C(Oc1ccc(cc1)C1CCCc2c1cccc2)(C)C	0.19	0.0
Compound_5	OC(=O)C(Oc1ccc(cc1)C1CC1(Cl)Cl)(C)C	0.05	0.0
Compound_6	OCCOc1ccc(cc1)C(=O)C(O)(C)C	0.59	1.0
Compound_7	COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.9	1.0
Compound_8	CC(C(=O)O[Hg]c1ccccc1)O	0.88	1.0
Compound_9	OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.74	1.0
Compound_10	OC(=O)C(Oc1cccc(c1)Cl)C	0.95	1.0
Compound_11	CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl	0.97	1.0
Compound_12	CC(C(=O)O)Oc1cc(Cl)ccc1Cl	0.95	1.0
Compound_13	OC(=O)C(Oc1ccc(cc1Cl)Cl)C	0.98	1.0
Compound_14	CC(C#CC(O)C)O	0.81	1.0
Compound_15	CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C	0.94	1.0
Compound_16	CC(=O)OCCc1ccccc1	0.91	1.0
Compound_17	COc1ccc(cc1)COC(=O)C	0.94	1.0
Compound_18	CC(=O)OC(COC(=O)C)COC(=O)C	0.41	0.0
Compound_19	CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C	0.01	0.0
Compound_20	CC(=O)Oc1cccc(c1)O	0.92	1.0
Compound_21	CC(=O)Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(cc1)OC(=O)C	0.94	1.0
Compound_22	CC(=O)OC=C	0.98	1.0
Compound_23	CC(=O)OC/C=C/c1ccccc1	0.99	1.0
Compound_24	CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	0.99	1.0
Compound_25	CC(=O)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1	0.99	1.0