Index	SMILES	Probability	Label
Compound_1	CCCN[C@H]1CCc2c(C1)sc(n2)N	0.01	0.0
Compound_2	CCCCOP(=O)(OCCCC)O	0.88	1.0
Compound_3	CCCCOC(=O)CCCCC(=O)OCCCC	0.96	1.0
Compound_4	CCCCOC(=O)/C=C\C(=O)OCCCC	0.79	1.0
Compound_5	COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(cc1)NCCCC	0.14	0.0
Compound_6	CCCCN(CCO)CCO	0.94	1.0
Compound_7	CCCCN(CCCC)CCO	0.87	1.0
Compound_8	CCCCN(CCCC)CCCC	0.51	1.0
Compound_9	CCCCN(C(=S)[S-])CCCC	0.98	1.0
Compound_10	CCCCN(C(=O)C)CCC(=O)OCC	0.78	1.0
Compound_11	CCCCCOc1ccc(cc1OCC)C1SC(=O)NC1=O	0.13	0.0
Compound_12	CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)[O-])CCCCC	0.01	0.0
Compound_13	CCCCCCOc1ccc(c2c1cccc2)C(=N)N(CCCC)CCCC	0.01	0.0
Compound_14	CCCCCCOC(=O)C(CC)C	0.94	1.0
Compound_15	CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O	0.0	0.0
Compound_16	CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O	0.94	1.0
Compound_17	CCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_18	CCCCCCCCCCn1cc[n+](c1)C	0.3	0.0
Compound_19	CCCCCCCCCCCSCC(=O)O	0.91	1.0
Compound_20	CCCCCCCCCCCl	0.98	1.0
Compound_21	CCCCCCCCCCCCS(=O)(=O)Cl	0.95	1.0
Compound_22	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_23	CCCCCCCCCCCCOCCOS(=O)(=O)[O-]	0.82	1.0
Compound_24	CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC	0.85	1.0
Compound_25	CCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCC	0.93	1.0