Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCCC(=O)OCC[N+](C)(C)C	0.3	0.0
Compound_2	CCCCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.35	0.0
Compound_3	CCCCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.35	0.0
Compound_4	CCCCCCCCCCCCCC(=O)NC(C(=O)OC)CCCNC([N+])N	0.12	0.0
Compound_5	CCCCCCCCCCCCCC(=O)NCCC[N+](CCCCCCCCCC)(C)C	0.06	0.0
Compound_6	CCCCCCCCCCCCCC(=O)NCCC[N+](CCCCCCCCCCCC)(C)C	0.06	0.0
Compound_7	CCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.05	0.0
Compound_8	CCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.34	0.0
Compound_9	CCCCCCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.0
Compound_10	CCCCCCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.05	0.0
Compound_11	CCCCCCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.35	0.0
Compound_12	CCCCCCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.35	0.0
Compound_13	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(CO)O)(C)C	0.02	0.0
Compound_14	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(C)C	0.01	0.0
Compound_15	CCCCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.05	0.0
Compound_16	CCCCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.34	0.0
Compound_17	CCCCCCCCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.05	0.0
Compound_18	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(CO)O)(C)C	0.02	0.0
Compound_19	CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.34	0.0
Compound_20	CCCCCCCCCCCCCCCCCCN=Cc1ccc(cc1)[N+](CC)(CC)C	0.29	0.0
Compound_21	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1c(N=Cc2ccc(cc2)OC)sc2c1cccc2	0.11	0.0
Compound_22	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1c(N=Cc2ccccc2)sc2c1cccc2	0.31	0.0
Compound_23	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc2c1c(O)c(cc2)CN1CCCCC1	0.19	0.0
Compound_24	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc2c1c(O)c(cc2)CN1CCOCC1	0.06	0.0
Compound_25	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1oc(cc1N=Cc1ccccc1)C	0.03	0.0
Compound_26	CCCCCCCCCCCCCCCCCCOC(=O)[N+](CC)(CC)CC	0.89	1.0
Compound_27	CCCCCCCCCCCCCCCCCC[N+](C)(C)C	0.77	1.0
Compound_28	CCCCCCCCCCCCCCCCCC[N+](C)(C)C	0.77	1.0
Compound_29	CCCCCCCCCCCCCCCCCC[N+](CCN(CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)(C)C	0.0	0.0
Compound_30	CCCCCCCCCCCCCCCCCC[N+](CCN(CCC(=O)OC)CCC(=O)OC)(C)C	0.03	0.0
Compound_31	CCCCCCCCCCCCCCCCCC[N+](Cc1cccc(c1)OC)(C)C	0.22	0.0
Compound_32	CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.27	0.0
Compound_33	CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1CO)(C)C	0.22	0.0
Compound_34	CCCCCCCCCCCCCCCCCC[N+]1CCCCC1	0.16	0.0
Compound_35	CCCCCCCCCCCCCCCCCC[n+]1ccn(c1)C	0.05	0.0
Compound_36	CCCCCCCCCCCCCCCCCC[n+]1ccn(c1)CCOC(=O)NCCCC	0.09	0.0
Compound_37	CCCCCCCCCCCCCCCCCCc1cc[nH+]cc1	0.46	0.0
Compound_38	CCCCCCCCCCCCCCCCN=Cc1ccc(cc1)[N+](CC)(CC)C	0.29	0.0
Compound_39	CCCCCCCCCCCCCCCCNC(=O)C[N+](CCNC(=O)COc1ccccc1)(C)C	0.01	0.0
Compound_40	CCCCCCCCCCCCCCCCOC(=O)C[N+](CCCN=Cc1ccccc1O)(C)C	0.02	0.0
Compound_41	CCCCCCCCCCCCCCCCOC(=O)C[N+](CCOCCO)(C)C	0.19	0.0
Compound_42	CCCCCCCCCCCCCCCCOC(=O)C[N+]1(C)CCCC1	0.48	0.0
Compound_43	CCCCCCCCCCCCCCCCOC(=O)C[N+]1(C)CCCC1	0.48	0.0
Compound_44	CCCCCCCCCCCCCCCCOC(=O)C[n+]1c(N=Cc2ccc(cc2)OC)sc2c1cccc2	0.11	0.0
Compound_45	CCCCCCCCCCCCCCCCOC(=O)C[n+]1c(N=Cc2ccccc2)sc2c1cccc2	0.31	0.0
Compound_46	CCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc(c1)N=Cc1ccc(c(c1)OC)O	0.07	0.0
Compound_47	CCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc2c1c(O)c(cc2)CN1CCCCC1	0.19	0.0
Compound_48	CCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc2c1c(O)c(cc2)CN1CCOCC1	0.06	0.0
Compound_49	CCCCCCCCCCCCCCCCOC(=O)C[n+]1oc(cc1N=Cc1ccccc1)C	0.03	0.0
Compound_50	CCCCCCCCCCCCCCCCOC(=O)[N+](CC)(CC)CC	0.89	1.0