Index	SMILES	Probability	Label
Compound_1	CCCCOC(=O)C(CC(=O)OCCCC)(CC(=O)OCCCC)O	0.41	0.0
Compound_2	CCCOP(=O)(OCCC)OCCC	0.96	1.0
Compound_3	O=C(c1ccc(cc1)C(=O)O)OC(C)(C)C	0.64	1.0
Compound_4	O=C(c1ccccc1C(=O)O)OC1CCCCC1	0.91	1.0
Compound_5	O=C(c1ccc(cc1)C(=O)O)OCc1ccccc1	0.92	1.0
Compound_6	CCCCCCCCOC(=O)c1ccccc1C(=O)O	0.82	1.0
Compound_7	COCCOC(=O)c1ccccc1C(=O)OCCOC	0.95	1.0
Compound_8	CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1	0.99	1.0
Compound_9	CCOC(=O)c1ccc(cc1)C(=O)O	0.84	1.0
Compound_10	CCOC(=O)c1ccccc1C(=O)O	0.79	1.0
Compound_11	O=C(c1ccccc1C(=O)OCc1ccccc1)OCc1ccccc1	0.96	1.0
Compound_12	OC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.99	1.0
Compound_13	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_14	OC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_15	OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_16	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_17	FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_18	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_19	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_20	COC(=O)c1ccccc1C(=O)c1ccccc1	0.98	1.0
Compound_21	C=CC(=O)Oc1ccc(cc1)C(=O)c1ccccc1	0.97	1.0
Compound_22	O=C(c1ccccc1)c1ccc(cc1)c1ccccc1	0.76	1.0
Compound_23	CN(c1ccc(cc1)C(=O)c1ccccc1)C	0.98	1.0
Compound_24	OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.88	1.0
Compound_25	O=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	1.0	1.0
Compound_26	NC(=Nc1ccccc1C)Nc1ccccc1C	0.05	0.0
Compound_27	OC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.82	1.0
Compound_28	CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCC	0.96	1.0
Compound_29	CC(CCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.74	1.0
Compound_30	CSc1nc2c(s1)cccc2	0.98	1.0
Compound_31	Oc1ccc(cc1n1nc2c(n1)cccc2)C(C)(C)C	0.96	1.0
Compound_32	O=c1sc2c([nH]1)cccc2	0.48	0.0