Index	SMILES	Probability	Label
Compound_1	CCCCC1CCC(=O)O1	0.92	1.0
Compound_2	CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1	0.03	0.0
Compound_3	CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[n-]nnn1)nccc2	0.08	0.0
Compound_4	CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2	0.01	0.0
Compound_5	CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl	0.12	0.0
Compound_6	CCCCc1ccccc1	0.1	0.0
Compound_7	CCCCc1ccc(cc1)N	0.95	1.0
Compound_8	CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O	0.03	0.0
Compound_9	CCCCC/C(=C/c1ccccc1)/CO	0.66	1.0
Compound_10	CCCCC(COCCC#N)CC	0.93	1.0
Compound_11	CCCCC(COC(=O)COc1ccc(cc1C)Cl)CC	0.95	1.0
Compound_12	CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC	0.09	0.0
Compound_13	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.11	0.0
Compound_14	CCCCC(COC(=O)c1ccccc1C(=O)O)CC	0.09	0.0
Compound_15	CCCCC(COC(=O)C=C)CC	1.0	1.0
Compound_16	CCCCC(COC(=O)C)CC	0.95	1.0
Compound_17	CCCCC(CO)CC	0.97	1.0
Compound_18	CCCCC(CNCC(CCCC)CC)CC	0.88	1.0
Compound_19	CCCCC(CN)CC	0.78	1.0
Compound_20	CCCC1CCCC(=O)O1	0.97	1.0
Compound_21	CCCC1CCC(=O)O1	0.89	1.0
Compound_22	CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2	0.01	0.0
Compound_23	CCCc1ccccc1	0.91	1.0
Compound_24	CCCc1ccc(cc1)OC	0.92	1.0
Compound_25	CCCc1c(OCCCOc2ccc(cc2)OCC(=O)O)ccc(c1O)C(=O)C	0.37	0.0