Index	SMILES	Probability	Label
Compound_1	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O	0.03	0.0
Compound_2	CCCCCCCCCCC(=O)NC(C(=O)[O-])C	0.05	0.0
Compound_3	CCCCCCCCCCCCC(=O)NC(C(=O)[O-])C	0.07	0.0
Compound_4	CCCCCCCC/C=C\CCCCCCCC(=O)OCC1OC(O)C(C(C(C1OCC1OC(O)C(C(C(C1O)O)O)O)O)O)O	0.64	1.0
Compound_5	CCCCCCCCCCCCc1ccc(cc1)CO	0.98	1.0
Compound_6	CCCCCCC1COC(O1)c1ccc(c(c1)OC)O	0.74	1.0
Compound_7	CCCCCCCC/C=C\CCCCCC(=O)O	0.59	1.0
Compound_8	CCCCCC/C=C\CCCCCCCC(=O)O	0.19	0.0
Compound_9	CCCCCCCCCCC(CS(=O)(=O)O)O	0.14	0.0
Compound_10	CCCCCCCC1N(CCO)C=CN1CCC(=O)[O-]	0.01	0.0
Compound_11	CCCCC(CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)CC	0.67	1.0
Compound_12	CCCCCCCCCCC=CCCCCCCCC(=O)O	0.59	1.0
Compound_13	CC(c1ccccc1S(=O)(=O)[O-])C	0.61	1.0
Compound_14	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_15	Cc1ccc(c(c1)C)S(=O)(=O)[O-]	0.35	0.0
Compound_16	CC(c1ccc(cc1)S(=O)(=O)[O-])C	0.52	1.0
Compound_17	CCCCC(CN(CCC(=O)O)CCC(=O)[O-])CC	0.01	0.0
Compound_18	CCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.04	0.0
Compound_19	CCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.04	0.0
Compound_20	CCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.59	1.0
Compound_21	Cc1cccc(c1C)S(=O)(=O)[O-]	0.42	0.0
Compound_22	Fc1cccc2c1OCC=CCCN1CN(C2c2ccccc2)n2ccc(=O)c(c2C1=O)O	0.01	0.0
Compound_23	CCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_24	CCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_25	CCCCCCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_26	CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_27	CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-]	0.82	1.0
Compound_28	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_29	CCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_30	CCCCCCCCCCC=CS(=O)(=O)[O-]	0.81	1.0
Compound_31	CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_32	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_33	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_34	CCCCCCCCCCCC(=O)N(CC(=O)[O-])C	0.22	0.0
Compound_35	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	0.52	1.0
Compound_36	CCCCCCCCCCCCCCCCCC(=O)O	0.89	1.0
Compound_37	CCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.68	1.0
Compound_38	CCCCCCCCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_39	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O	0.02	0.0
Compound_40	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_41	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_42	CCCC/C=C\CCCCCCCC(=O)O	0.52	1.0
Compound_43	CCCCCCCC(=O)[O-]	0.68	1.0
Compound_44	CCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_45	CCCCCCC=CCCCCCCCC(=O)O	0.59	1.0
Compound_46	CCCCCCCCCCCCOCCOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.6	1.0
Compound_47	CCCCCCCCOCCOCC(=O)O	0.86	1.0
Compound_48	CCCCCC(COCCO)CCC	0.98	1.0
Compound_49	CCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_50	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_51	CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC	0.63	1.0
Compound_52	CCCCCCCC/C=C\CCCCCCCC(=O)OCCO	0.92	1.0
Compound_53	CCCCCCC1C=CC(CC1C(=O)[O-])CCCCCCCC(=O)O	0.03	0.0
Compound_54	CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]	0.68	1.0
Compound_55	CCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_56	CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]	0.44	0.0
Compound_57	CCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_58	CCCCCCCC/C=C\CCCCCCCC(=O)[O-]	0.89	1.0
Compound_59	CCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_60	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_61	Cc1ccc(cc1)S(=O)(=O)[O-]	0.62	1.0
Compound_62	Cc1ccc(cc1)CS(=O)(=O)[O-]	0.26	0.0