Index	SMILES	Probability	Label
Compound_1	OCC(N)(C)C	0.13	0.0
Compound_2	OCC(N)(C)C	0.13	0.0
Compound_3	OCC(CO)(C)C	0.38	0.0
Compound_4	OCC(C(C(=O)NCCCC(=O)O)O)(C)C	0.01	0.0
Compound_5	OCC([C@H](C(=O)NCCC(=O)[O-])O)(C)C	0.01	0.0
Compound_6	OCC([C@H](C(=O)NCCC(=O)O)O)(C)C	0.01	0.0
Compound_7	Fc1ccc(c(c1)F)Oc1cc(=O)n(c2c1cnc(n2)NCC(O)(C)C)C	0.01	0.0
Compound_8	CC(Cl)(Cl)C	0.97	1.0
Compound_9	CC(Cc1ccccc1)(O)C	0.89	1.0
Compound_10	CC(c1ccccc1)(c1ccc(cc1)Nc1ccc(cc1)C(c1ccccc1)(C)C)C	1.0	1.0
Compound_11	CC(c1ccc(cc1)O)(c1ccc(cc1)O)C	1.0	1.0
Compound_12	O=C(c1cccnc1Oc1ccc2c(c1)non2)NCc1ccc(cc1)C(O)(C)C	0.02	0.0
Compound_13	CC(c1cc(Cl)c(c(c1)Cl)O)(c1cc(Cl)c(c(c1)Cl)O)C	0.99	1.0
Compound_14	CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C	0.99	1.0
Compound_15	C=CC(O)(C)C	0.88	1.0
Compound_16	CC(OOC(C)(C)C)(C)C	0.94	1.0
Compound_17	OOC(C)(C)C	0.9	1.0
Compound_18	NC(=O)NC(C)(C)C	0.29	0.0
Compound_19	O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc1cccnc1)C[C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)Cc1ccccc1	0.0	0.0
Compound_20	Clc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1ccccc1	0.93	1.0