Index	SMILES	Probability	Label
Compound_1	CCCCCCCC[N+](CC[N+](CCCCCCCC)(C)C)(CC[N+](CCCCCCCC)(C)C)C	0.54	1.0
Compound_2	CCCCCCCC[N+](CCc1c(CC)cccc1[N+](CCCCCCCC)(C)C)(C)C	0.29	0.0
Compound_3	CCCCCCCC[N+](CCc1ccc(cc1[N+](CCCCCCCC)(C)C)CC)(C)C	0.28	0.0
Compound_4	CCCCCCCC[N+](CCc1cccc(c1[N+](CCCCCCCC)(C)C)CC)(C)C	0.29	0.0
Compound_5	CCCCCCCC[N+](CC(O)C)(CC(O)C)CCCCC[N+](CC(O)C)(CC(O)C)CCCCCCCC	0.34	0.0
Compound_6	CCCCCCCC[N+](CC(O)C)CCCCC[N+](CC(O)C)CCCCCCCC	0.03	0.0
Compound_7	CCCCCCCC[N+]1(CCCC1)CC#CC[N+]1(CCCCCCCC)CCCC1	0.8	1.0
Compound_8	CCCCCCCC[N+]1(CCCCC1)CC#CC[N+]1(CCCCCCCC)CCCCC1	0.78	1.0
Compound_9	CCCCCCCC[n+]1cccc(c1)NC(=O)Nc1ccc[n+](c1)CCCCCCCC	0.16	0.0
Compound_10	CCCCCCCCn1cc[n+](c1)CC(C[n+]1ccn(c1)CCCCCCCC)O	0.03	0.0
Compound_11	CCCCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCCCC	0.35	0.0
Compound_12	CCCCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCCCC	0.31	0.0
Compound_13	CCCCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCCCC	0.35	0.0
Compound_14	CCCCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCCCC	0.3	0.0
Compound_15	CCCCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCCCC	0.25	0.0
Compound_16	CCCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCCC	0.31	0.0
Compound_17	CCCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCCC	0.29	0.0
Compound_18	CCCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCCC	0.31	0.0
Compound_19	CCCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCCC	0.28	0.0
Compound_20	CCCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCCC	0.22	0.0
Compound_21	CCCCCC[N+](CCCCC[N+](CCCCCC)(C)C)(C)C	0.56	1.0
Compound_22	CCCCCC[N+](CCOCC[N+](CCCCCC)(C)C)(C)C	0.31	0.0
Compound_23	CCCCCC[N+](CCSCC[N+](CCCCCC)(C)C)(C)C	0.5	0.0
Compound_24	CCCCCC[n+]1cccc(c1)CO	0.34	0.0
Compound_25	CCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCC	0.28	0.0
Compound_26	CCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCC	0.24	0.0
Compound_27	CCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCC	0.26	0.0
Compound_28	CCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCC	0.25	0.0
Compound_29	CCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCC	0.22	0.0
Compound_30	CCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCC	0.24	0.0
Compound_31	CCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCC	0.24	0.0
Compound_32	CCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCC	0.24	0.0
Compound_33	CCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCC	0.23	0.0
Compound_34	CCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCC	0.21	0.0
Compound_35	CCCC[N+](CCOCC[N+](CCCC)(C)C)(C)C	0.31	0.0
Compound_36	CCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCC	0.23	0.0
Compound_37	CCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCC	0.23	0.0
Compound_38	CCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCC	0.25	0.0
Compound_39	CCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCC	0.2	0.0
Compound_40	CCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCC	0.12	0.0
Compound_41	CCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCC	0.32	0.0
Compound_42	CCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCC	0.32	0.0
Compound_43	CCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCC	0.34	0.0
Compound_44	CCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCC	0.25	0.0
Compound_45	CCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCC	0.11	0.0
Compound_46	CCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CC	0.25	0.0
Compound_47	CCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CC	0.23	0.0
Compound_48	CCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CC	0.23	0.0
Compound_49	CCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CC	0.29	0.0
Compound_50	CCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CC	0.17	0.0
Compound_51	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1CCCCCCCCCCCCc1cccc[n+]1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.12	0.0
Compound_52	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1CCCCCCCCc1cccc[n+]1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.12	0.0
Compound_53	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1CCCCc1cccc[n+]1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.12	0.0
Compound_54	Cn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)C	0.1	0.0
Compound_55	Cn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)C	0.1	0.0
Compound_56	Cn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)C	0.1	0.0
Compound_57	Cn1cc[n+](c1)COCCCOC[n+]1ccn(c1)C	0.08	0.0
Compound_58	Cn1cc[n+](c1)COCCOC[n+]1ccn(c1)C	0.05	0.0
Compound_59	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1CCCCCCCCCCCCc1cccc[n+]1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.12	0.0
Compound_60	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1CCCCCCCCc1cccc[n+]1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.12	0.0
Compound_61	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1CCCCc1cccc[n+]1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.12	0.0
Compound_62	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1CCCc1cccc[n+]1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.11	0.0
Compound_63	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si](O[Si]C(C)(C)C)(O[Si]C(C)(C)C)C	0.54	1.0
Compound_64	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si]O[Si](O[Si]C(C)(C)C)(O[Si]C(C)(C)C)C	0.64	1.0
Compound_65	O=CCOCCOCCOCCOCCC[Si](C(C)(C)C)(O[Si]C(C)(C)C)O[Si]C(C)(C)C	0.91	1.0
Compound_66	O=CCOCCOCCOCCOCCOCCOCCOCCOCCC[Si](C(C)(C)C)(O[Si]C(C)(C)C)O[Si]C(C)(C)C	0.91	1.0
Compound_67	O=CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC[Si](C(C)(C)C)(O[Si]C(C)(C)C)O[Si]C(C)(C)C	0.91	1.0
Compound_68	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si](O[Si]C(C)(C)C)(O[Si]C(C)(C)C)O[Si]	0.6	1.0
Compound_69	OCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](C[Si](C[Si](O)C)(O)C)(C[Si](O)C)C)C)C)C)C)C)C	0.89	1.0
Compound_70	OCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](C[Si](O)C)(C[Si](O)C)C)C)C)C)C)C)C	0.86	1.0
Compound_71	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si](O[Si]C(CC)(CC)CC)(O[Si]C(CC)(CC)CC)C	0.73	1.0
Compound_72	CCOOC=CCC	0.87	1.0
Compound_73	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si](O[Si]C(CCC)(CCC)CCC)(O[Si]C(CCC)(CCC)CCC)C	0.79	1.0
Compound_74	CCOCCOCCOCCOCCOCCOC(C(CCC)CCC)O	0.72	1.0
Compound_75	CCCC(OCC)O	0.98	1.0
Compound_76	CCCCC(C(OCCOCCOCCOCCOCCOCC)O)CCCC	0.74	1.0
Compound_77	CCCCC(C(OCCOCCOCCOCCOCCOCCOCCOCCOCC)O)CCCC	0.74	1.0
Compound_78	CCCCC(CCCC)CO	0.98	1.0
Compound_79	CCCCC=COOCCOCCOCCOCCOCCOCC	0.71	1.0
Compound_80	CCCCCC(OCC)O	0.98	1.0
Compound_81	CCCCCCC=COOCCOCCOCCOCCOCCOCC	0.71	1.0
Compound_82	CCCCCCCC(OCC)O	0.98	1.0
Compound_83	CCCCCCCCC(C(CCCCCCCC(=O)NCCCO)O)O	0.08	0.0
Compound_84	CCCCCCCCC(C(CCCCCCCC(=O)NCCO)O)O	0.14	0.0
Compound_85	CCCCCCCCC(CCO)O	0.94	1.0
Compound_86	CCCCCCCCC(CO)O	0.94	1.0
Compound_87	CCCCCCCCC([C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)O)O	0.64	1.0
Compound_88	OCO	0.97	1.0
Compound_89	CCCCCCCCC=COOCCOCCOCCOCCOCCOCC	0.71	1.0
Compound_90	CCOCCOCCOCCOCCOCCOCCOCCOCCOOC=CCCCCCCCC	0.71	1.0
Compound_91	CCCCCCCCCC(=O)OC(C(=O)NCCCN(C)C)C	0.04	0.0
Compound_92	CCCCCCCCCC(CO)O	0.94	1.0
Compound_93	CCCCCCCCCC(NCCO)O	0.85	1.0
Compound_94	CCCCCCCCCC(OCC)O	0.98	1.0
Compound_95	CCCCCCCCCCC(=O)N(CCO)CCO	0.83	1.0
Compound_96	CCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_97	CCCCCCCCCCC(=O)OC(C(=O)NCCCN(C)C)C	0.04	0.0
Compound_98	CCCCCCCCCCC(CCO)O	0.94	1.0
Compound_99	CCCCCCCCCCC(OCC)O	0.98	1.0
Compound_100	CCCCCCCCCCC([C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)O)O	0.64	1.0
Compound_101	CCCCCCCCCCCC(=O)OC(C(=O)NCCCN(C)C)C	0.04	0.0
Compound_102	CCCCCCCCCCCC(=O)OCCC(COC(COC(COC(CO)CO)CO)CO)CO	0.69	1.0
Compound_103	CCCCCCCCCCCC(=O)OCCC(COC(COC(COC(COC(COC(CO)CO)CO)CO)CO)CO)CO	0.69	1.0
Compound_104	CCCCCCCCCCCC(=O)OCCC(COC(COC(COC(COC(COC(COC(COC(COC(COC(CO)CO)CO)CO)CO)CO)CO)CO)CO)CO)CO	0.69	1.0
Compound_105	CCCCCCCCCCCC(NCCO)O	0.85	1.0
Compound_106	CCCCCCCCCCCC(OCC)O	0.98	1.0
Compound_107	CCCCCCCCCCCCC(C(=O)O)NCCO	0.28	0.0
Compound_108	CCCCCCCCCCCCC(CCO)O	0.94	1.0
Compound_109	CCCCCCCCCCCCC(OCC)O	0.98	1.0
Compound_110	CCCCCCCCCCCCC([C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)O)O	0.64	1.0
Compound_111	CCCCCCCCCCCCC([C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)O	0.66	1.0
Compound_112	CCCCCCCCCCCCC([C@H]1O[C@H](O[C@]2(CO)O[C@@H]([C@H]([C@@H]2O)O)CO)[C@@H]([C@H]([C@@H]1O)O)O)O	0.63	1.0
Compound_113	CCCCCCCCCCCCCC(=O)OC(C(=O)NCCCN(C)C)C	0.04	0.0
Compound_114	CCCCCCCCCCCCCC(CO)O	0.94	1.0
Compound_115	CCCCCCCCCCCCCC(OCC)O	0.98	1.0
Compound_116	CCCCCCCCCCCCCCC(O)O	0.9	1.0
Compound_117	CCCCCCCCCCCCCCC(OCC)O	0.98	1.0
Compound_118	CCCCCCCCCCCCCCCC(=O)OC(C(=O)NCCCN(C)C)C	0.04	0.0
Compound_119	CCCCCCCCCCCCCCCC(OCC)O	0.98	1.0
Compound_120	CCCCCCCCCCCCCCCC=CC(=O)O	0.88	1.0
Compound_121	CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)NCCCN(C)C)C	0.04	0.0
Compound_122	CCCCCCCCCCCCCCCCCC(=O)OCCC(COC(COC(COC(CO)CO)CO)CO)CO	0.69	1.0
Compound_123	CCCCCCCCCCCCCCCCCC(=O)OCCC(COC(COC(COC(COC(COC(CO)CO)CO)CO)CO)CO)CO	0.69	1.0
Compound_124	CCCCCCCCCCCCCCCCCCC([C@H]1O[C@H](O[C@]2(CO)O[C@@H]([C@H]([C@@H]2O)O)CO)[C@@H]([C@H]([C@@H]1O)O)O)O	0.63	1.0
Compound_125	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCOOCCOCCOCCCCCC	0.97	1.0
Compound_126	CCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@]1(C)OC(=O)C[C@](C1)(C)O	0.58	1.0
Compound_127	CCCCCCCCCCCCCCCCCCN(C(=O)C(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_128	CCCCCCCCCCCCCCCCCCN(C(=O)COCOCOCO)C	0.93	1.0
Compound_129	CCCCCCCCCCCCCCCCCCOCCCCCO	0.99	1.0
Compound_130	CCCCCCCCCCCCCCCCCCOCO	0.99	1.0
Compound_131	CCCCCCCCCCCCCCCCCOCOOCCOCCOCCCCCC	0.97	1.0
Compound_132	CCCCCCCCCCCCCCCCN(C(=O)C(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_133	CCCCCCCCCCCCCCCCN(C(=O)COCOCOCO)C	0.93	1.0
Compound_134	CCCCCCCCCCCCCCCCOCO	0.99	1.0
Compound_135	CCCCCCCCCCCCCCCCOOCC	0.97	1.0
Compound_136	CCCCCCCCCCCCCCCOOCCOCCOCCOCCOCCOCCOCCOCC	0.91	1.0
Compound_137	CCCCCCCCCCCCCCN(C(=O)C(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_138	CCCCCCCCCCCCCCN(C(=O)COCOCOCO)C	0.93	1.0
Compound_139	CCCCCCCCCCCCCCOOCC	0.97	1.0
Compound_140	CCCCCCCCCCCCCNCC(=O)O	0.79	1.0
Compound_141	CCCCCCCCCCCCCON(CCOCCOCCOCCO)C	0.72	1.0
Compound_142	CCCCCCCCCCCCCON(CCOCCOCCOCCOCCOCCOCCO)C	0.72	1.0
Compound_143	CCCCCCCCCCCCCON(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C	0.72	1.0
Compound_144	CCCCCCCCCCCCCONCCO	0.46	0.0
Compound_145	CCCCCCCCCCCCCOOCC	0.97	1.0
Compound_146	CCCCCCCCCCCCC[C@@H](C(=O)O)NCCOCCOCCOCCO	0.17	0.0
Compound_147	CCCCCCCCCCCCN(C(=O)C(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_148	CCCCCCCCCCCCN(C(=O)COCOCOCO)C	0.93	1.0
Compound_149	CCCCCCCCCCCCN(C)C	0.79	1.0
Compound_150	CCCCCCCCCCCCN(CCN(CCCNC(=O)C(C(C(C(C(CO)O)O)O)O)O)CCCCCCCCCCCC)CCCNC(=O)C(C(C(C(C(CO)O)O)O)O)O	0.03	0.0
Compound_151	CCCCCCCCCCCCN(CCN(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCCCCCCCCCC)CCCNC(=O)C(C(C(C(CO)O)O)O)O	0.03	0.0
Compound_152	CCCCCCCCCCCCNCC(=O)NCOCC(OCC(COCCCCCCCCCCCCNCC(=O)NCOCC(OCC(COCC)O)CO)O)CO	0.25	0.0
Compound_153	CCCCCCCCCCCCNCC(=O)NCOCC(C(C(COCCCCCCCCCCCCNCC(=O)NCOCC(C(C(COCC)O)O)O)O)O)O	0.33	0.0
Compound_154	CCCCCCCCCCCCOCO	0.99	1.0
Compound_155	CCCCCCCCCCCCOCOOCCOCCOCCCCCC	0.97	1.0
Compound_156	CCCCCCCCCCCCOO	0.96	1.0
Compound_157	CCCCCCCCCCCCOOCC	0.97	1.0
Compound_158	CCCCCCCCCCCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.73	1.0
Compound_159	CCCCCCCCCCCOOCC	0.97	1.0
Compound_160	CCCCCCCCCCN(C(=O)C(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_161	CCCCCCCCCCN(C(=O)COCOCOCO)C	0.93	1.0
Compound_162	CCCCCCCCCCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.71	1.0
Compound_163	CCCCCCCCCCOOCC	0.97	1.0
Compound_164	CCCCCCCCCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.71	1.0
Compound_165	CCCCCCCCCOCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.85	1.0
Compound_166	CCCCCCCCCOOCC	0.97	1.0
Compound_167	CCCCCCCCCc1ccccc1CCO	0.9	1.0
Compound_168	CCCCCCCCCc1ccccc1OOCC	0.94	1.0
Compound_169	CCCCCCCCN(CCN(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCCCCCC)CCCNC(=O)C(C(C(C(CO)O)O)O)O	0.03	0.0
Compound_170	CCCCCCCCNCC(=O)NCOCC(OCC(COCCCCCCCCNCC(=O)NCOCC(OCC(COCC)O)CO)O)CO	0.25	0.0
Compound_171	CCCCCCCCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.75	1.0
Compound_172	CCCCCCCCOCO	0.99	1.0
Compound_173	CCCCCCCCOCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.85	1.0
Compound_174	CCCCCCCCOOCC	0.97	1.0
Compound_175	CCCCCCCCSCC(CO)O	0.96	1.0
Compound_176	CCCCCCCCc1ccc(cc1)OCC	0.94	1.0
Compound_177	CCCCCCCCc1ccccc1CCO	0.9	1.0
Compound_178	CCCCCCCCc1ccccc1OOCC	0.94	1.0
Compound_179	CCCCCCCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.75	1.0
Compound_180	CCCCCCCOCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.85	1.0
Compound_181	CCCCCCOC([CH][CH]O)O	0.88	1.0
Compound_182	CCCCCCOCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.84	1.0
Compound_183	CCCCCCOOCC	0.95	1.0
Compound_184	CCCCCCSC1[CH][C@H](O)[C@H](C(O1)O)O	0.57	1.0
Compound_185	CCCCCOC([CH][CH]O)O	0.88	1.0
Compound_186	CCCCCOCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.84	1.0
Compound_187	CCCCCSC1[CH][C@H](O)[C@H](C(O1)O)O	0.57	1.0
Compound_188	CCCCOC([CH][CH]O)O	0.9	1.0
Compound_189	CCCCOCOC1[CH][C@H](O)[C@H](C(O1)O)O	0.83	1.0
Compound_190	CCCCOOCC	0.95	1.0
Compound_191	CCCCSC([CH][CH]O)O	0.88	1.0
Compound_192	CCCC[Si](C[Si](C[Si](CCCC)O)(CCCSCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(COC(COC(COC(COC(COC(CO)C)C)C)C)C)C)C)O	0.89	1.0
Compound_193	CCCOCCOC(=O)C(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N	0.58	1.0
Compound_194	CCCOCCOC(=O)C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N	0.58	1.0
Compound_195	CCCOCCOC(=O)C(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N	0.58	1.0
Compound_196	CCCOCCOCCOC(=O)C(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N	0.23	0.0
Compound_197	CCCOCCOCCOC(=O)C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N	0.23	0.0
Compound_198	CCCOCCOCCOC(=O)C(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N	0.23	0.0
Compound_199	CCC[Si](C[Si](C[Si](CCC)O)(CCCSCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(COC(COC(COC(COC(COC(CO)C)C)C)C)C)C)C)O	0.89	1.0
Compound_200	CCC[Si](C[Si](CCC)O)(C[Si](CCC)O)CCCSCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(COC(COC(COC(COC(COC(CO)C)C)C)C)C)C	0.9	1.0
Compound_201	CCOC(C(C)C)O	0.77	1.0
Compound_202	CCOCCOCCOCCOCCOCCOC(C(CC)CC)O	0.67	1.0
Compound_203	CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.77	1.0
Compound_204	CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si](O[Si](c1cc[c]cc1)(C)C)(O[Si](c1cc[c]cc1)(C)C)C	0.87	1.0
Compound_205	CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	0.71	1.0
Compound_206	CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCC[Si](O[Si](c1cc[c]cc1)(C)C)(O[Si](c1cc[c]cc1)(C)C)O[Si](c1cc[c]cc1)(C)C	0.95	1.0
Compound_207	OCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](C[Si](CC)O)(C[Si](CC)O)C)C)C)C)C)C)C	0.88	1.0
Compound_208	OCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](C[Si](CC)O)(C[Si](CC)O)CC)C)C)C)C)C)C	0.89	1.0
Compound_209	COCCCOCCNC(=O)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.73	1.0
Compound_210	COCCOCCOCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.92	1.0
Compound_211	COCCOCCOCCCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.96	1.0
Compound_212	COCCOCCOCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.92	1.0
Compound_213	COCCOCCOCCCC(C(C(C(F)F)(F)F)(F)F)(F)F	0.96	1.0
Compound_214	COCCOCCOCCCOCCOCCOCCNC(=O)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.55	1.0
Compound_215	COCCOCCOCCCOCCOCCOCCNC(=O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.52	1.0
Compound_216	COCCOCCOCCOCCOCCOCCOCCCSCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.59	1.0
Compound_217	COCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.59	1.0
Compound_218	COCCOCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.59	1.0
Compound_219	COCCOCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si]C(C)C	0.68	1.0
Compound_220	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.59	1.0
Compound_221	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCSCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si]C(C)C	0.68	1.0
Compound_222	C[SiH](O[Si](O[Si](C)(C)C)(CCCOCC1CO1)C)O[SiH](O[SiH](O[SiH](O[Si](C)(C)C)C)C)C	0.81	1.0
Compound_223	C[SiH](O[SiH](O[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)C)O[SiH](O[SiH](O[Si](O[Si](C)(C)C)(CCCOCC1CO1)C)C)C	0.81	1.0
Compound_224	C[SiH](O[SiH](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C)O[SiH](O[SiH](O[Si](O[Si](C)(C)C)(CCCOCC1OC1)C)C)C	0.81	1.0
Compound_225	OCCN(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO	0.59	1.0
Compound_226	OCCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.85	1.0
Compound_227	OCCOCCSCCOCCSCCOCCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.8	1.0
Compound_228	OCCOCCSCCOCCSCCOCCSCCOCCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.81	1.0
Compound_229	CCCCCC(=O)CC(=O)NC1CCOC1=O	0.05	0.0
Compound_230	CCCCCC(CCCC)O	0.89	1.0
Compound_231	CCCCCCC(C(SCCC)CC)CCCCCCCOC[C@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)O	0.77	1.0
Compound_232	CCCCCCCC(=O)C(C1OC(N)C(C(C1O)O)O)O	0.02	0.0
Compound_233	CCCCCCCC(=O)CN(C1OC(CO)C(C(C1O)O)O)N=O	0.05	0.0
Compound_234	CCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.28	0.0
Compound_235	CCCCCCCC(CO)O	0.94	1.0
Compound_236	CCCCCCCC/C=C/CCCCCCCC(=O)O	0.59	1.0
Compound_237	CCCCCCCC/C=C\CCCCCCCCN(C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C	0.38	0.0
Compound_238	CCCCCCCC/C=C\CCCCCCCCON(C1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)CC	0.09	0.0
Compound_239	CCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.3	0.0
Compound_240	CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O	0.05	0.0
Compound_241	CCCCCCCCCC(=O)NC([C@H]1O[C@@H](O[C@@H]([C@@H]([C@H](CO)O)O)[C@@H](CO)O)[C@@H]([C@H]([C@H]1O)O)O)O	0.03	0.0
Compound_242	CCCCCCCCCCCC(=O)N(CC(CO)O)C	0.28	0.0
Compound_243	CCCCCCCCCCCC(=O)NC([C@H]1O[C@@H](O[C@@H]([C@@H]([C@H](CO)O)O)[C@@H](CO)O)[C@@H]([C@H]([C@H]1O)O)O)O	0.03	0.0
Compound_244	CCCCCCCCCCCC(=O)NC1CCOC1=O	0.05	0.0
Compound_245	CCCCCCCCCCCCCC(=O)NC([C@H]1O[C@@H](O[C@@H]([C@@H]([C@H](CO)O)O)[C@@H](CO)O)[C@@H]([C@H]([C@H]1O)O)O)O	0.03	0.0
Compound_246	CCCCCCCCCCCCCCCC(=O)NC([C@H]1O[C@@H](O[C@@H]([C@@H]([C@H](CO)O)O)[C@@H](CO)O)[C@@H]([C@H]([C@H]1O)O)O)O	0.03	0.0
Compound_247	CCCCCCCCCCCCCCCC(=O)NC1CCOC1=O	0.05	0.0
Compound_248	CCCCCCCCCCCCCCCCCC(=O)NC([C@H]1O[C@@H](O[C@@H]([C@@H]([C@H](CO)O)O)[C@@H](CO)O)[C@@H]([C@H]([C@H]1O)O)O)O	0.03	0.0
Compound_249	CCCCCCCCCCCCCCCCCCN(C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C	0.3	0.0
Compound_250	CCCCCCCCCCCCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O	0.13	0.0
Compound_251	CCCCCCCCCCCCCCCCN(C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C	0.3	0.0
Compound_252	CCCCCCCCCCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O	0.13	0.0
Compound_253	CCCCCCCCCCCCCCN(C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C	0.3	0.0
Compound_254	CCCCCCCCCCCCCCNC(=O)C(C(C(C(CO)O)OC1OC(O)C(C(C1O)O)O)O)O	0.04	0.0
Compound_255	CCCCCCCCCCCCN(C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C	0.3	0.0
Compound_256	CCCCCCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O	0.13	0.0
Compound_257	CCCCCCCCCCCCOC(CCO)O	0.88	1.0
Compound_258	CCCCCCCCCCN(C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C	0.3	0.0
Compound_259	CCCCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O	0.13	0.0
Compound_260	CCCCCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	0.13	0.0
Compound_261	CCCCCCCCCCOC(=O)C([C@H](C([C@H](CO)O)O)O)[C@H](CO)O	0.58	1.0
Compound_262	CCCCCCCCCCOC1CC(O)C(C(O1)CO)OC1OC(CO)C(C(C1O)O)O	0.66	1.0
Compound_263	CCCCCCCCCCSC([C@H]1OC(=O)[C@H]([C@@H]1O)O)O	0.59	1.0
Compound_264	CCCCCCCCCCSC1OC(=O)[C@@H]([C@H]([C@@H]1O)O)O	0.77	1.0
Compound_265	CCCCCCCCCCSC[C@@H]([C@@H]([C@H](CO)O)O)O	0.79	1.0
Compound_266	CCCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O	0.13	0.0
Compound_267	CCCCCCCCCOC(=O)C([C@H](C([C@H](CO)O)O)O)[C@H](CO)O	0.58	1.0
Compound_268	CCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O	0.04	0.0
Compound_269	CCCCCCCCOC(=O)C([C@H](C([C@H](CO)O)O)O)[C@H](CO)O	0.58	1.0
Compound_270	CCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O	0.04	0.0
Compound_271	CCCCCCCCSC([C@H]1OC(=O)[C@H]([C@@H]1O)O)O	0.59	1.0
Compound_272	CCCCCCCCSC1OC(=O)[C@@H]([C@H]([C@@H]1O)O)O	0.77	1.0
Compound_273	CCCCCCCCSC1OC(CO)C(C(C1O)O)O	0.56	1.0
Compound_274	CCCCCCCCSC[C@H]([C@H]([C@H](CO)O)O)O	0.77	1.0
Compound_275	CCCCCCCCSC[C@H]([C@H]([C@@H](CO)O)O)O	0.77	1.0
Compound_276	CCCCCCCCSC[C@@H]([C@@H]([C@H](CO)O)O)O	0.77	1.0
Compound_277	CCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O	0.13	0.0
Compound_278	CCCCCCCOC(=O)C([C@H](C([C@H](CO)O)O)O)[C@H](CO)O	0.48	0.0
Compound_279	CCCCCCOC(=O)C([C@H](C([C@H](CO)O)O)O)[C@H](CO)O	0.5	0.0
Compound_280	CCCCCCSC([C@H]1OC(=O)[C@H]([C@@H]1O)O)O	0.59	1.0
Compound_281	CCCCCCSC1OC(=O)[C@@H]([C@H]([C@@H]1O)O)O	0.77	1.0
Compound_282	CCCCCCSC[C@H]([C@H]([C@H](CO)O)O)O	0.78	1.0
Compound_283	CCCCCCSC[C@H]([C@H]([C@@H](CO)O)O)O	0.78	1.0
Compound_284	CCCCCCSC[C@@H]([C@@H]([C@H](CO)O)O)O	0.78	1.0
Compound_285	CCCCCOC(=O)C([C@H](C([C@H](CO)O)O)O)[C@H](CO)O	0.35	0.0
Compound_286	CCCCCSC([C@H](C([C@H](CO)O)O)O)[C@H](CO)O	0.56	1.0
Compound_287	CCCCSC([C@H](C([C@H](CO)O)O)O)[C@H](CO)O	0.51	1.0
Compound_288	O=CCCCCCCCCCCCN(C(=O)c1cccc(c1C)C)C	0.73	1.0
Compound_289	CCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_290	CCCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_291	CCCCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_292	CCCCCCCCC([N+](C)(C)C)C(=O)[O-]	0.06	0.0
Compound_293	CCCCCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_294	CCCCCCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_295	CCCCCCCCCCC([N+](C)(C)C)C(=O)[O-]	0.06	0.0
Compound_296	CCCCCCCCCCC([n+]1ccccc1)C(=O)[O-]	0.57	1.0
Compound_297	CCCCCCCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_298	CCCCCCCCCCCC1=[N+](CCO)CCN1	0.14	0.0
Compound_299	CCCCCCCCCCCCC([N+](C)(C)C)C(=O)[O-]	0.06	0.0
Compound_300	CCCCCCCCCCCCC([n+]1ccccc1)C(=O)[O-]	0.57	1.0
Compound_301	CCCCCCCCCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_302	CCCCCCCCCCCCCC1=[N+](CCO)CCN1	0.14	0.0
Compound_303	CCCCCCCCCCCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_304	CCCCCCCCCCCCCCCC1=[N+](CCO)CCN1	0.14	0.0
Compound_305	CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)NCCC[N+](C)(C)C)C	0.01	0.0
Compound_306	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_307	CCCCCCCCCCCCCCCCCC1=[N+](CCO)CCN1	0.14	0.0
Compound_308	CCCCCCCCCCCCCCCCCCOP(=O)(OCC[N+](CCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_309	CCCCCCCCCCCCCCCCCC[N+](CCOP(=O)(OCCCCCCCC)[O-])(C)C	0.54	1.0
Compound_310	CCCCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.24	0.0
Compound_311	CCCCCCCCCCCCCCCC[N+](CCOP(=O)(OCCCCCCCCCC)[O-])(C)C	0.54	1.0
Compound_312	CCCCCCCCCCCCCCOP(=O)(OCC[N+](CCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_313	CCCCCCCCCCCCCCOP(=O)(OCC[N+](CCCCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_314	CCCCCCCCCCCCCCOP(=O)(OCC[N+](CCCCCCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_315	CCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.24	0.0
Compound_316	CCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.43	0.0
Compound_317	CCCCCCCCCCCCCC[N+](CCOP(=O)(OCCCCCCCC)[O-])(C)C	0.54	1.0
Compound_318	CCCCCCCCCCCCCC[N+](CCOP(=O)(OCCCCCCCCCC)[O-])(C)C	0.54	1.0
Compound_319	CCCCCCCCCCCCCC[N+](CCOP(=O)(OCCCCCCCCCCCC)[O-])(C)C	0.54	1.0
Compound_320	CCCCCCCCCCCCOP(=O)(OCC[N+](CCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_321	CCCCCCCCCCCCOP(=O)(OCC[N+](CCCCCCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_322	CCCCCCCCCCCC[N+](C)(C)C	0.69	1.0
Compound_323	CCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.24	0.0
Compound_324	CCCCCCCCCCCC[N+](CCCC(=O)[O-])(C)C	0.4	0.0
Compound_325	CCCCCCCCCCCC[N+](CCCCCC(=O)[O-])(C)C	0.36	0.0
Compound_326	CCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.43	0.0
Compound_327	CCCCCCCCCCCC[N+](CCOP(=O)(OCCCCCCCC)[O-])(C)C	0.54	1.0
Compound_328	CCCCCCCCCCCC[N+](CCOP(=O)(OCCCCCCCCCC)[O-])(C)C	0.54	1.0
Compound_329	CCCCCCCCCCOP(=O)(OCC[N+](CCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_330	CCCCCCCCCCOP(=O)(OCC[N+](CCCCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_331	CCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.22	0.0
Compound_332	CCCCCCCCCC[N+](CCCC(=O)[O-])(C)C	0.4	0.0
Compound_333	CCCCCCCCCC[N+](CCCCCC(=O)[O-])(C)C	0.36	0.0
Compound_334	CCCCCCCCCC[N+](CCCCCCCC(=O)[O-])(C)C	0.36	0.0
Compound_335	CCCCCCCCCC[N+](CCOP(=O)(OCCCCCCCC)[O-])(C)C	0.54	1.0
Compound_336	CCCCCCCCOP(=O)(OCC[N+](CCCCCCCC)(C)C)[O-]	0.54	1.0
Compound_337	CCCCCCCC[N+](CC(=O)[O-])(C)C	0.22	0.0
Compound_338	CCCCCCCC/C=C\CCCCCCCCO	0.97	1.0