Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.11	0.0
Compound_2	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_3	CCCCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.11	0.0
Compound_4	CCCCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.12	0.0
Compound_5	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_6	CCCCCCCCCCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.21	0.0
Compound_7	CCCCCCCCCCCCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.21	0.0
Compound_8	CCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.25	0.0
Compound_9	CCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.25	0.0
Compound_10	CCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_11	CCCCCCCC=CCCCCCCCCC(=O)O	0.6	1.0
Compound_12	CCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_13	CCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_14	CCCCCCCC/C=C\CCCCCCCC(=O)[O-]	0.89	1.0
Compound_15	CCCCCCCCCCCCOC1OC(O)C(C(C(C1COC(=O)C(CC(=O)O)(CC(=O)[O-])O)O)O)O	0.19	0.0
Compound_16	CCCCCCCCCCCCCCOC1OC(O)C(C(C(C1COC(=O)C(CC(=O)O)(CC(=O)[O-])O)O)O)O	0.19	0.0
Compound_17	CCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)[O-]	0.1	0.0
Compound_18	CCCCCCCC(=O)[O-]	0.68	1.0
Compound_19	CCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_20	CCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_21	CCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_22	CCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_23	CCCCCCCC=CCCCCCCCC(=O)[O-]	0.89	1.0
Compound_24	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_25	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_26	CCCCCC=CCCCC=CCCCCCC(=O)[O-]	0.58	1.0
Compound_27	CCCCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)[O-]	0.1	0.0
Compound_28	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.12	0.0
Compound_29	CCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)O	0.02	0.0
Compound_30	CCCCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)O	0.02	0.0
Compound_31	CCCCCCCCC=CCCCCCCCC(=O)[O-]	0.89	1.0
Compound_32	CCC=CCC=CCC=CCCCCCCCC(=O)[O-]	0.49	0.0
Compound_33	CCCCCCCCC=CCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCC=CCCCCCCCC)(C)C	0.14	0.0
Compound_34	CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.58	1.0
Compound_35	CCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.58	1.0
Compound_36	CCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.02	0.0
Compound_37	CCCCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.02	0.0
Compound_38	CCCCCCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.02	0.0
Compound_39	CCCCCCCC=CCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.03	0.0
Compound_40	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_41	CCCCCCC(CCC)CO	0.97	1.0
Compound_42	CCCCCC(CO)CC	0.97	1.0
Compound_43	CCCCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_44	CCCCCCCCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_45	CCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_46	CCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_47	CCCCCCCCCCOOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.65	1.0
Compound_48	CCCCCCCCCCCCOOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.65	1.0
Compound_49	CCCCCCCCCCCCOCC(=O)O	0.98	1.0
Compound_50	CCCCCCCCCCCCCOCC(=O)O	0.98	1.0
Compound_51	CCCCCCCCCCCCCCOCC(=O)O	0.97	1.0
Compound_52	CCCCCCCCCCC(COCCCCCCCC)O	0.97	1.0
Compound_53	CCCCCCCCCCOCC(CCCCCCCCCC)O	0.97	1.0
Compound_54	CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.58	1.0
Compound_55	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.79	1.0
Compound_56	CCCCCCCCCCCC[N+](CCO)(CCO)C	0.79	1.0