Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCC=CCS(=O)(=O)[O-]	0.45	0.0
Compound_2	CCCCCCCCCCCCCC=CCS(=O)(=O)[O-]	0.45	0.0
Compound_3	CCCCCCCCCCCCCC(CS(=O)(=O)[O-])O	0.45	0.0
Compound_4	CCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])O	0.45	0.0
Compound_5	CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_6	CCCCCCCCCCCCc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-]	0.83	1.0
Compound_7	CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_8	CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_9	CC(c1ccc(cc1)S(=O)(=O)[O-])C	0.52	1.0
Compound_10	CCCCCCCCC=CCCCCCCCCN(=O)(C)C	0.76	1.0
Compound_11	CCCCCCCCCCCCN(=O)(CCO)CCO	0.67	1.0
Compound_12	CCCCCCCCCCCCCCCCN(=O)(CCO)CCO	0.67	1.0
Compound_13	CCCCCCCCC=CCCCCCCCCN(=O)(CCO)CCO	0.53	1.0
Compound_14	CCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_15	CCCCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_16	CCCCCCCCC=CCCCCCCCC(=O)NCCCN(=O)(C)C	0.09	0.0
Compound_17	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.03	0.0
Compound_18	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_19	CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.78	1.0
Compound_20	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.75	1.0
Compound_21	CCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.06	0.0
Compound_22	CCCCCCCCC=CCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.5	0.0
Compound_23	CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)C	0.08	0.0
Compound_24	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCC=CCCCCCCCC)COC(=O)C	0.5	0.0
Compound_25	CCCCCCC(OC(=O)C)CCCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.06	0.0
Compound_26	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)CO	0.67	1.0
Compound_27	CCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.33	0.0
Compound_28	CCCCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.33	0.0
Compound_29	CCCCCCCCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.33	0.0
Compound_30	CCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.62	1.0
Compound_31	CCCCCCCCC=CCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.66	1.0
Compound_32	CCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.71	1.0
Compound_33	CCCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.71	1.0
Compound_34	CCCCCCCCCCCCO[C@@H]1O[C@H](COCC(CS(=O)(=O)[O-])O)[C@H]([C@@H]([C@H]1O)O)O	0.34	0.0
Compound_35	CCCCCCCOC1OC(CO)C(C(C1O)O)O	0.68	1.0
Compound_36	CCCCCCCCCCOC1O[C@H](COCC(CS(=O)(=O)[O-])O)[C@H]([C@@H]([C@H]1O)O)O	0.34	0.0
Compound_37	CCCCCCCCC=CCCCCCCCCO	0.97	1.0
Compound_38	CCCCCCCCC=CCCCCCCCCC(=O)OCC1OC(COC(=O)CCCCCCCC=CCCCCCCCC)C(C(C1OC(=O)CCCCCCCCC=CCCCCCCCC)O)O	0.44	0.0
Compound_39	CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.75	1.0
Compound_40	CCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.78	1.0
Compound_41	CCCCCCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.78	1.0
Compound_42	CCCCCCCCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.78	1.0
Compound_43	CCCCCCCCCCCCCCCCCCC(=O)OCC1OC(COC(=O)CCCCCCCCCCCCCCCCC)C(C(C1OC(=O)CCCCCCCCCCCCCCCCCC)O)O	0.44	0.0
Compound_44	CCCCCCCCCOC	0.97	1.0
Compound_45	CCCCCCCCCCCOC	0.97	1.0
Compound_46	CCCCCCCC(=O)[O-]	0.68	1.0
Compound_47	CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]	0.44	0.0
Compound_48	CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)[O-])C	0.48	0.0
Compound_49	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_50	CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)CO	0.7	1.0
Compound_51	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	0.52	1.0
Compound_52	CCCCCCCC/C=C\CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)CO	0.47	0.0
Compound_53	CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CO	0.7	1.0
Compound_54	CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)CO	0.7	1.0
Compound_55	CCCCCCCCCCC(=O)N(CC(=O)O)C	0.13	0.0
Compound_56	CCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.18	0.0
Compound_57	CCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_58	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]	0.52	1.0
Compound_59	CCCCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.04	0.0
Compound_60	CCCCCCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.04	0.0
Compound_61	CCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.08	0.0