Index	SMILES	Probability	Label
Compound_1	CCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_2	CCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_3	CCCCCCCC1=NCCN1CCO	0.23	0.0
Compound_4	OCCCCCCCCC(C)C	0.95	1.0
Compound_5	OCCCCCCCCCC(C)C	0.95	1.0
Compound_6	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_7	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)C	0.51	1.0
Compound_8	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)C	0.51	1.0
Compound_9	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.45	0.0
Compound_10	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.45	0.0
Compound_11	CCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_12	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_13	CCCCCCCCC=CCCCCCCCC(=O)OC	0.93	1.0
Compound_14	CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_15	CCCCOC1OC(CO)C(C(C1O)O)O	0.59	1.0
Compound_16	CCCCCCC(CC=CCCCCCCCC(=O)O)O	0.12	0.0
Compound_17	CCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_18	CCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.12	0.0
Compound_19	CCCCCCCCCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_20	CCCCCCCCCCCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_21	CCCCCCCC=CCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_22	CCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.28	0.0
Compound_23	CCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_24	CCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_25	CCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_26	CCCCCCCCCCCC(=O)OC(CS(=O)(=O)[O-])C	0.14	0.0
Compound_27	CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.44	0.0
Compound_28	CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_29	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_30	CCCCCCC(OS(=O)(=O)[O-])CC=CCCCCCCCC(=O)O	0.21	0.0
Compound_31	CCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.11	0.0
Compound_32	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_33	CCCCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.11	0.0
Compound_34	CCCCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.12	0.0
Compound_35	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_36	CCCCCCCCCCCCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.21	0.0
Compound_37	CCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_38	CCCCCCCC=CCCCCCCCCC(=O)O	0.59	1.0
Compound_39	CCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_40	CCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_41	CCCCCCCC/C=C\CCCCCCCC(=O)[O-]	0.89	1.0
Compound_42	CCCCCCCCCCCCOC1OC(O)C(C(C(C1COC(=O)C(CC(=O)O)(CC(=O)[O-])O)O)O)O	0.19	0.0
Compound_43	CCCCCCCCCCCCCCOC1OC(O)C(C(C(C1COC(=O)C(CC(=O)O)(CC(=O)[O-])O)O)O)O	0.19	0.0
Compound_44	CCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)[O-]	0.1	0.0
Compound_45	CCCCCCCC(=O)[O-]	0.68	1.0
Compound_46	CCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_47	CCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_48	CCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_49	CCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_50	CCCCCCCC=CCCCCCCCC(=O)[O-]	0.89	1.0
Compound_51	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_52	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_53	CCCCCC=CCCCC=CCCCCCC(=O)[O-]	0.58	1.0
Compound_54	CCCCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)[O-]	0.1	0.0
Compound_55	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.12	0.0
Compound_56	CCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)O	0.02	0.0
Compound_57	CCCCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)O	0.02	0.0
Compound_58	CCCCCCCCC=CCCCCCCCC(=O)[O-]	0.89	1.0
Compound_59	CCC=CCC=CCC=CCCCCCCCC(=O)[O-]	0.49	0.0