Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_2	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_3	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.75	1.0
Compound_4	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.1	0.0
Compound_5	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_6	CCCCCCCCC=CCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.45	0.0
Compound_7	CCCCCCCCC=CCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCC=CCCCCCCCC)(C)C	0.13	0.0
Compound_8	CCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.41	0.0
Compound_9	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.41	0.0
Compound_10	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.42	0.0
Compound_11	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_12	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_13	CCCCCCCCC=CCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCC=CCCCCCCCC)(CCO)C	0.34	0.0
Compound_14	CCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_15	CCCCCCC=CCCCC=CCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCC=CCCCC=CCCCCCC)(CCO)C	0.31	0.0
Compound_16	CCCCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_17	CCCCCC=CCCCC=CCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.65	1.0
Compound_18	CCCCCCCCC=CCCCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.65	1.0
Compound_19	CCCCCCCCCCCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.36	0.0
Compound_20	CCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_21	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_22	CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_23	CCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_24	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_25	CCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_26	CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_27	CCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_28	CCCCCCCCC=CCCCCCCCCOS(=O)(=O)[O-]	0.92	1.0
Compound_29	CCCCCCCCC=CCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.58	1.0
Compound_30	CCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_31	CCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_32	CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_33	CCCCCCCCC=CCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.53	1.0
Compound_34	CCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_35	CCCCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_36	CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.34	0.0
Compound_37	CCCCCCCCCCCC=CCS(=O)(=O)[O-]	0.45	0.0
Compound_38	CCCCCCCCCCCCCC=CCS(=O)(=O)[O-]	0.45	0.0
Compound_39	CCCCCCCCCCCCCC(CS(=O)(=O)[O-])O	0.45	0.0
Compound_40	CCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])O	0.45	0.0
Compound_41	CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_42	CCCCCCCCCCCCc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-]	0.83	1.0
Compound_43	CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_44	CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_45	CC(c1ccc(cc1)S(=O)(=O)[O-])C	0.52	1.0
Compound_46	CCCCCCCCC=CCCCCCCCCN(=O)(C)C	0.76	1.0
Compound_47	CCCCCCCCCCCCN(=O)(CCO)CCO	0.67	1.0
Compound_48	CCCCCCCCCCCCCCN(=O)(CCO)CCO	0.67	1.0
Compound_49	CCCCCCCCCCCCCCCCN(=O)(CCO)CCO	0.67	1.0
Compound_50	CCCCCCCCC=CCCCCCCCCN(=O)(CCO)CCO	0.53	1.0
Compound_51	CCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_52	CCCCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_53	CCCCCCCCC=CCCCCCCCC(=O)NCCCN(=O)(C)C	0.09	0.0
Compound_54	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_55	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.03	0.0
Compound_56	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_57	CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_58	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.75	1.0
Compound_59	CCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.06	0.0
Compound_60	CCCCCCCCC=CCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.5	0.0
Compound_61	CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)C	0.08	0.0
Compound_62	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCC=CCCCCCCCC)COC(=O)C	0.5	0.0
Compound_63	CCCCCCC(OC(=O)C)CCCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.06	0.0
Compound_64	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)CO	0.67	1.0
Compound_65	CCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.33	0.0
Compound_66	CCCCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.33	0.0
Compound_67	CCCCCCCCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.33	0.0
Compound_68	CCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.62	1.0
Compound_69	CCCCCCCCC=CCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.66	1.0
Compound_70	CCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.71	1.0