Index	SMILES	Probability	Label
Compound_1	CCCCCCCC/C=C\CCCCCCCC(=O)O	0.95	1.0
Compound_2	CCCCCCCCC=CCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCC=CCCCCCCCC)(C)C	0.13	0.0
Compound_3	CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.58	1.0
Compound_4	CCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.58	1.0
Compound_5	CCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.02	0.0
Compound_6	CCCCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.02	0.0
Compound_7	CCCCCCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.02	0.0
Compound_8	CCCCCCCC=CCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.03	0.0
Compound_9	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_10	CCCCCCC(CCC)CO	0.97	1.0
Compound_11	CCCCCC(CO)CC	0.97	1.0
Compound_12	CCCCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_13	CCCCCCCCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_14	CCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_15	CCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_16	CCCCCCCCCCOOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.65	1.0
Compound_17	CCCCCCCCCCCCOOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.65	1.0
Compound_18	CCCCCCCCCCCCOCC(=O)O	0.98	1.0
Compound_19	CCCCCCCCCCCCCOCC(=O)O	0.98	1.0
Compound_20	CCCCCCCCCCCCCCOCC(=O)O	0.97	1.0
Compound_21	CCCCCCCCCCC(COCCCCCCCC)O	0.97	1.0
Compound_22	CCCCCCCCCCOCC(CCCCCCCCCC)O	0.97	1.0
Compound_23	CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.58	1.0
Compound_24	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_25	CCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_26	CCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_27	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_28	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.75	1.0
Compound_29	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.1	0.0
Compound_30	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_31	CCCCCCCCC=CCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.45	0.0
Compound_32	CCCCCCCCC=CCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCC=CCCCCCCCC)(C)C	0.13	0.0
Compound_33	CCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.41	0.0
Compound_34	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.41	0.0
Compound_35	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.42	0.0
Compound_36	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_37	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_38	CCCCCCCCC=CCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCC=CCCCCCCCC)(CCO)C	0.34	0.0
Compound_39	CCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_40	CCCCCCC=CCCCC=CCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCC=CCCCC=CCCCCCC)(CCO)C	0.31	0.0
Compound_41	CCCCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_42	CCCCCC=CCCCC=CCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.65	1.0
Compound_43	CCCCCCCCC=CCCCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.65	1.0
Compound_44	CCCCCCCCCCCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.36	0.0
Compound_45	CCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_46	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_47	CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_48	CCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_49	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_50	CCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_51	CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_52	CCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_53	CCCCCCCCC=CCCCCCCCCOS(=O)(=O)[O-]	0.92	1.0
Compound_54	CCCCCCCCC=CCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.58	1.0
Compound_55	CCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_56	CCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_57	CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_58	CCCCCCCCC=CCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.53	1.0
Compound_59	CCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_60	CCCCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_61	CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.34	0.0