Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCC(Oc1ccccc1)CCS(=O)(=O)[O-]	0.76	1.0
Compound_2	CCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.46	0.0
Compound_3	CCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.67	1.0
Compound_4	CCCCCCCCCCCC(OS(=O)(=O)[O-])OCC	0.39	0.0
Compound_5	CCCCCCCCCCCC(OS(=O)(=O)[O-])(OCCOCC)OCCOCC	0.77	1.0
Compound_6	CCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_7	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OCC	0.61	1.0
Compound_8	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OCCCC	0.62	1.0
Compound_9	CCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_10	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.45	0.0
Compound_11	CCCCCCCCCCCCC(COS(=O)(=O)[O-])CC	0.81	1.0
Compound_12	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CC	0.62	1.0
Compound_13	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.45	0.0
Compound_14	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CCC	0.66	1.0
Compound_15	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCCC	0.62	1.0
Compound_16	CCCCCCCCCCCCC(S(=O)(=O)[O-])CO	0.2	0.0
Compound_17	CCCCCCCCCCCCC(OCCc1ccc(cc1)S(=O)(=O)[O-])O	0.44	0.0
Compound_18	CCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.23	0.0
Compound_19	CCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.81	1.0
Compound_20	CCCCCCCCCCCCCC(=O)CCS(=O)(=O)[O-]	0.28	0.0
Compound_21	CCCCCCCCCCCCCC(COS(=O)(=O)[O-])C	0.81	1.0
Compound_22	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_23	CCCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.45	0.0
Compound_24	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OC	0.2	0.0
Compound_25	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OCCC	0.77	1.0
Compound_26	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OCCCC	0.53	1.0
Compound_27	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.46	0.0
Compound_28	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.67	1.0
Compound_29	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])OCC	0.39	0.0
Compound_30	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCCOCC)OCCOCC	0.77	1.0
Compound_31	CCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_32	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.42	0.0
Compound_33	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCC	0.66	1.0
Compound_34	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCC	0.62	1.0
Compound_35	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCCCCCCCC	0.62	1.0
Compound_36	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CC	0.2	0.0
Compound_37	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CCC	0.19	0.0
Compound_38	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.26	0.0
Compound_39	CCCCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.81	1.0
Compound_40	CCCCCCCCCCCCCCCC(=O)NC(C(=O)[O-])C(C)C	0.1	0.0
Compound_41	CCCCCCCCCCCCCCCC(=O)NC(C(=O)[O-])CC(C)C	0.18	0.0
Compound_42	CCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_43	CCCCCCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.46	0.0
Compound_44	CCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.67	1.0
Compound_45	CCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_46	CCCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_47	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C(C)C	0.21	0.0
Compound_48	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CC	0.2	0.0
Compound_49	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CCC	0.19	0.0
Compound_50	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.26	0.0
Compound_51	CCCCCCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.81	1.0
Compound_52	CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_53	CCCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.34	0.0
Compound_54	CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_55	CCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.34	0.0
Compound_56	CCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_57	CCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_58	CCCCCCCCCCCCCCOC(=O)CCS(=O)(=O)[O-]	0.7	1.0
Compound_59	CCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.7	1.0
Compound_60	CCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_61	CCCCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_62	CCCCCCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.28	0.0
Compound_63	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_64	CCCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_65	CCCCCCCCCCCCC[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.22	0.0
Compound_66	CCCCCCCCCCCCOCC(=O)[O-]	0.96	1.0
Compound_67	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_68	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_69	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_70	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_71	CCCCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.28	0.0
Compound_72	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_73	CCCCCCCCCCCOCCOCCS(=O)(=O)[O-]	0.63	1.0
Compound_74	CCCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_75	CCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_76	CCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.68	1.0
Compound_77	CCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_78	CCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_79	CCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_80	CCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.28	0.0
Compound_81	CCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_82	CCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_83	CCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_84	CCCCCCCCCc1ccc(cc1)OS(=O)[O-]	0.26	0.0
Compound_85	CCCCCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCCCCC	0.56	1.0
Compound_86	CCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.68	1.0
Compound_87	CCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_88	CCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_89	CCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.28	0.0
Compound_90	CCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_91	CCCCCCCOS(=O)(=O)[O-]	0.8	1.0
Compound_92	CCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.41	0.0
Compound_93	CCCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCCC	0.58	1.0
Compound_94	CCCCCCOC(=O)CS(=O)(=O)[O-]	0.64	1.0
Compound_95	CCCCCCOS(=O)(=O)[O-]	0.8	1.0
Compound_96	CCCCCCS(=O)(=O)[O-]	0.21	0.0
Compound_97	CCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCC	0.58	1.0
Compound_98	CCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.27	0.0
Compound_99	CCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCC	0.59	1.0
Compound_100	FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)C(=O)[O-])(F)F)(F)F)(F)F)F	0.93	1.0