Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCC(CCS(=O)(=O)[O-])O	0.46	0.0
Compound_2	CCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.65	1.0
Compound_3	CCCCCCCCCC(S(=O)(=O)[O-])OCC	0.77	1.0
Compound_4	CCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_5	CCCCCCCCCCC(S(=O)(=O)[O-])C	0.47	0.0
Compound_6	CCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.45	0.0
Compound_7	CCCCCCCCCCC(OS(=O)(=O)[O-])CCC	0.66	1.0
Compound_8	CCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCCCC	0.45	0.0
Compound_9	CCCCCCCCCCC(COS(=O)(=O)[O-])CCCC	0.81	1.0
Compound_10	CCCCCCCCCCC(OS(=O)(=O)[O-])CCCC	0.62	1.0
Compound_11	CCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCCCC	0.45	0.0
Compound_12	CCCCCCCCCCC(OS(=O)(=O)[O-])CCCCC	0.62	1.0
Compound_13	CCCCCCCCCCC(OC(=O)C)CCS(=O)(=O)[O-]	0.24	0.0
Compound_14	CCCCCCCCCCC(S(=O)(=O)[O-])CO	0.2	0.0
Compound_15	CCCCCCCCCCC(OCCc1ccc(cc1)S(=O)(=O)[O-])O	0.44	0.0
Compound_16	CCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_17	CCCCCCCCCCCC(OS(=O)(=O)[O-])CC	0.62	1.0
Compound_18	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.45	0.0
Compound_19	CCCCCCCCCCCC(COS(=O)(=O)[O-])CCC	0.81	1.0
Compound_20	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCC	0.45	0.0
Compound_21	CCCCCCCCCCCC(CCS(=O)(=O)[O-])COCCO	0.35	0.0
Compound_22	CCCCCCCCCCCC(CCS(=O)(=O)[O-])COCCOCCO	0.58	1.0
Compound_23	CCCCCCCCCCCC(N(C)C)CCS(=O)(=O)[O-]	0.2	0.0
Compound_24	CCCCCCCCCCCC(N1CCCCC1)CCS(=O)(=O)[O-]	0.24	0.0
Compound_25	CCCCCCCCCCCC(N1CCOCC1)CCS(=O)(=O)[O-]	0.12	0.0
Compound_26	CCCCCCCCCCCC(CCS(=O)(=O)[O-])NCCC	0.07	0.0
Compound_27	CCCCCCCCCCCC(CCS(=O)(=O)[O-])NCCCC	0.07	0.0
Compound_28	CCCCCCCCCCCC(Oc1cc(Cl)c(cc1Cl)Cl)CCS(=O)(=O)[O-]	0.86	1.0
Compound_29	CCCCCCCCCCCC(Oc1ccccc1)CCS(=O)(=O)[O-]	0.76	1.0
Compound_30	CCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.46	0.0
Compound_31	CCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.67	1.0
Compound_32	CCCCCCCCCCCC(OS(=O)(=O)[O-])OCC	0.39	0.0
Compound_33	CCCCCCCCCCCC(OS(=O)(=O)[O-])(OCCOCC)OCCOCC	0.77	1.0
Compound_34	CCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_35	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OCC	0.61	1.0
Compound_36	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OCCCC	0.62	1.0
Compound_37	CCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_38	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.45	0.0
Compound_39	CCCCCCCCCCCCC(COS(=O)(=O)[O-])CC	0.81	1.0
Compound_40	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CC	0.62	1.0
Compound_41	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.45	0.0
Compound_42	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CCC	0.66	1.0
Compound_43	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCCC	0.62	1.0
Compound_44	CCCCCCCCCCCCC(S(=O)(=O)[O-])CO	0.2	0.0
Compound_45	CCCCCCCCCCCCC(OCCc1ccc(cc1)S(=O)(=O)[O-])O	0.44	0.0
Compound_46	CCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.23	0.0
Compound_47	CCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.81	1.0
Compound_48	CCCCCCCCCCCCCC(=O)CCS(=O)(=O)[O-]	0.28	0.0
Compound_49	CCCCCCCCCCCCCC(COS(=O)(=O)[O-])C	0.81	1.0
Compound_50	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_51	CCCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.45	0.0
Compound_52	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OC	0.2	0.0
Compound_53	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OCCC	0.77	1.0
Compound_54	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OCCCC	0.53	1.0
Compound_55	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.46	0.0
Compound_56	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.67	1.0
Compound_57	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])OCC	0.39	0.0
Compound_58	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCCOCC)OCCOCC	0.77	1.0
Compound_59	CCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_60	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCC	0.66	1.0
Compound_61	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCC	0.62	1.0
Compound_62	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCCCCCCCC	0.62	1.0
Compound_63	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CC	0.2	0.0
Compound_64	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CCC	0.19	0.0
Compound_65	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.26	0.0
Compound_66	CCCCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.81	1.0
Compound_67	CCCCCCCCCCCCCCCC(=O)NC(C(=O)[O-])C(C)C	0.1	0.0
Compound_68	CCCCCCCCCCCCCCCC(=O)NC(C(=O)[O-])CC(C)C	0.18	0.0
Compound_69	CCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_70	CCCCCCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.46	0.0
Compound_71	CCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.67	1.0
Compound_72	CCCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.62	1.0
Compound_73	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C(C)C	0.21	0.0
Compound_74	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CC	0.2	0.0
Compound_75	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CCC	0.19	0.0
Compound_76	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.26	0.0
Compound_77	CCCCCCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.81	1.0
Compound_78	CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_79	CCCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.34	0.0
Compound_80	CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_81	CCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.34	0.0
Compound_82	CCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_83	CCCCCCCCCCCCCCOC(=O)CCS(=O)(=O)[O-]	0.7	1.0
Compound_84	CCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.7	1.0
Compound_85	CCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_86	CCCCCCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.28	0.0
Compound_87	CCCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_88	CCCCCCCCCCCCC[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.22	0.0
Compound_89	CCCCCCCCCCCCOCC(=O)[O-]	0.96	1.0
Compound_90	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0