Index	SMILES	Probability	Label
Compound_1	OC(=O)C(c1ccc2c(c1)Cc1c(O2)nccc1)C	0.07	0.0
Compound_2	OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C	0.0	0.0
Compound_3	OC(=O)C(c1ccc(cc1)/C=C/1\CCCCC1=O)C	0.79	1.0
Compound_4	OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C	0.01	0.0
Compound_5	CC(=O)OC(OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C)C	0.85	1.0
Compound_6	OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C	0.02	0.0
Compound_7	COc1ccc2c(c1)c(OC(C)C)c(s2)C(=O)Nc1[n-]nnn1	0.75	1.0
Compound_8	CC(OC(=O)Nc1cccc(c1)Cl)C	0.99	1.0
Compound_9	CC(OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)OC(C)C)C	0.98	1.0
Compound_10	OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C	0.0	0.0
Compound_11	CC(Nc1nc(NC(C)C)nc(n1)Cl)C	0.96	1.0
Compound_12	CC(Nc1ccc(cc1)Nc1ccccc1)C	0.33	0.0
Compound_13	CC(NC(C)C)C	0.47	0.0
Compound_14	CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C	0.83	1.0
Compound_15	C=CC(=O)OCC(C)C	0.97	1.0
Compound_16	CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)OP(=O)([O-])[O-])C	0.24	0.0
Compound_17	CC(CCCCCCCCCCCCCCC(=O)O)C	0.74	1.0
Compound_18	OCCC(CCCC(C)C)C	0.91	1.0
Compound_19	CC(CC(O)C)C	0.57	1.0
Compound_20	CC(CC(N)C)C	0.4	0.0
Compound_21	CC(CC(C#C)(O)C)C	0.71	1.0
Compound_22	CC(CC(=O)OCc1ccccc1)C	0.97	1.0
Compound_23	CC(CC(=O)C)C	0.9	1.0
Compound_24	CC(CC(=NO)C)C	0.5	0.0