Index	SMILES	Probability	Label
Compound_1	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_2	CCCCCCCOC1OC(CO)C(C(C1O)O)O	0.68	1.0
Compound_3	CCCCCCCCCCOC1O[C@H](COCC(CS(=O)(=O)[O-])O)[C@H]([C@@H]([C@H]1O)O)O	0.34	0.0
Compound_4	CCCCCCCCC=CCCCCCCCCO	0.97	1.0
Compound_5	CCCCCCCCC=CCCCCCCCCC(=O)OCC1OC(COC(=O)CCCCCCCC=CCCCCCCCC)C(C(C1OC(=O)CCCCCCCCC=CCCCCCCCC)O)O	0.44	0.0
Compound_6	CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.75	1.0
Compound_7	CCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.78	1.0
Compound_8	CCCCCCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.78	1.0
Compound_9	CCCCCCCCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.78	1.0
Compound_10	CCCCCCCCCCCCCCCCCCC(=O)OCC1OC(COC(=O)CCCCCCCCCCCCCCCCC)C(C(C1OC(=O)CCCCCCCCCCCCCCCCCC)O)O	0.44	0.0
Compound_11	CCCCCCCCCOC	0.97	1.0
Compound_12	CCCCCCCCCCCOC	0.97	1.0
Compound_13	CCCCCCCC(=O)[O-]	0.68	1.0
Compound_14	CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]	0.44	0.0
Compound_15	CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)[O-])C	0.48	0.0
Compound_16	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_17	CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)CO	0.7	1.0
Compound_18	CCCCCCCC/C=C\CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)CO	0.47	0.0
Compound_19	CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CO	0.7	1.0
Compound_20	CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)CO	0.7	1.0
Compound_21	CCCCCCCCCCC(=O)N(CC(=O)O)C	0.13	0.0
Compound_22	CCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.18	0.0
Compound_23	CCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_24	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]	0.52	1.0
Compound_25	CCCCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.04	0.0
Compound_26	CCCCCCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.04	0.0
Compound_27	CCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.08	0.0
Compound_28	CCCCCCCCCCC(=O)NC(C(=O)[O-])C	0.05	0.0
Compound_29	CCCCCCCCCCCCC(=O)NC(C(=O)[O-])C	0.07	0.0