Index	SMILES	Probability	Label
Compound_1	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C=O)O[C@@H]([C@@H]1O)C	0.15	0.0
Compound_2	COc1c(OC)cc2c3c1Oc1cc4C(=NCCc4cc1OC)Cc1ccc(Oc4c(c(C[C@H]3N(CC2)C)ccc4OC)OC)cc1	0.05	0.0
Compound_3	COC(=O)C(C[C@@]12N3CCC[C@@H]2[C@@H](CC=C1C=CC3)O)C	0.04	0.0
Compound_4	O=C1[C@@H]2C[C@@H]([C@@H]3N1CCCC3)CN1[C@H]2CCCC1	0.02	0.0
Compound_5	CN1C2CCCC1(O)CC2	0.01	0.0
Compound_6	CCC=CC=CC#CC#CC=CC	0.68	1.0
Compound_7	CC=C(C(=O)OC1CC2(C)OC2CC(C(CC2C1C(=C)C(=O)O2)(C)O)O)C	0.2	0.0
Compound_8	OC[C@H]1O[C@@H](OC(C#N)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.4	0.0
Compound_9	CCCS(=O)SC	0.85	1.0
Compound_10	COc1cc2occc2c2c1ccc(=O)o2	0.89	1.0
Compound_11	C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O	0.18	0.0
Compound_12	CN1C[C@@H]2CC(C1)c1n(C2)c(=O)ccc1	0.01	0.0
Compound_13	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.29	0.0
Compound_14	O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C	1.0	1.0
Compound_15	C=CC(c1cc2cc3ccoc3cc2oc1=O)(C)C	0.94	1.0
Compound_16	O=C1c2nc3ccccc3c(=O)n2c2c1cccc2	0.1	0.0
Compound_17	CCC[C@H]1CC[C@@H](CN1)O	0.05	0.0
Compound_18	COc1ccc2c(c1O)c[n+]1c(c2)c2cc3OCOc3cc2CC1	0.24	0.0
Compound_19	OCc1cc2OCOc2cc1c1ccccc1NC	0.81	1.0
Compound_20	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@]3(O4)CC[C@@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.05	0.0
Compound_21	CC(=O)O[C@@H]1c2c(O[C@@H]1C(OC(=O)C=C(C)C)(C)C)ccc1c2oc(=O)cc1	0.79	1.0
Compound_22	Nc1[nH]c(=O)[nH]c(=O)c1O	0.02	0.0
Compound_23	C[C@@H](C[C@@H]1CCCCN1)O	0.05	0.0
Compound_24	COc1cc2CCN3[C@@H](c2cc1OC)[C@@H](C)c1c(C3)c(OC)c(cc1)OC	0.02	0.0
Compound_25	CC(=O)O[C@@H]1C[C@]2([C@@H](C1=C)C2)C(C)C	0.51	1.0
Compound_26	Oc1ccc(c2c1oc(cc2=O)c1ccccc1)O	0.97	1.0
Compound_27	OC[C@]12C(=O)C[C@]3([C@@]([C@@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)(C)C[C@H]([C@@H]3[C@](C(=O)C=CC(OC(=O)C)(C)C)(O)C)O)C	0.05	0.0
Compound_28	COc1ccc2c(c1OC)nc1c(c2OC)cco1	0.89	1.0
Compound_29	OC[C@H]1O[C@@H](OC2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.05	0.0
Compound_30	O[C@H]1CO[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.17	0.0
Compound_31	COc1cc2c(cc1O)CCN1[C@@]32C[C@@H](O)C=CC3=CC1	0.04	0.0
Compound_32	O[C@@H]1CCN2C1=Nc1ccccc1C2	0.0	0.0
Compound_33	O[C@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1	0.05	0.0
Compound_34	Oc1cc2occc2c2c1c(=O)c1ccccc1n2C	0.69	1.0
Compound_35	CC1=CC2OC(=O)C(=C)C2CCC(=C)C(=O)CC1	0.58	1.0
Compound_36	C[C@@H]1C[C@@H]2Cc3c([C@]4(C1)[C@@H]2CCCN4C)ccc(=O)[nH]3	0.01	0.0
Compound_37	COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC	0.06	0.0
Compound_38	C=CC(c1cc2cc(CC=C(C)C)c(cc2oc1=O)O)(C)C	0.92	1.0
Compound_39	CCCCCCC=CCCCCCCCc1cc(O)cc(c1)O	0.92	1.0
Compound_40	O=c1ccc2c(o1)c(C)c1c(c2)cco1	0.96	1.0
Compound_41	CCCC(=O)C1=C(O)C(C(=C(C1=O)Cc1c(O)c(C)c(c(c1O)C(=O)CCC)O)O)(C)C	0.43	0.0
Compound_42	CC(=O)CC(c1c(=O)oc2c(c1[O-])cccc2)c1ccccc1	0.46	0.0
Compound_43	[O-]c1nc(=O)n(c(=O)n1Cl)Cl	0.11	0.0
Compound_44	CC=CC=CC(=O)[O-]	0.6	1.0
Compound_45	CCCCCCCCCC[N+](CCCCCCCCCC)(C)C	0.88	1.0
Compound_46	ClC=CC[N+]12CN3CN(C2)CN(C1)C3	0.45	0.0
Compound_47	c1ccc2=[S][Cu]3(=[O]n2c1)=[O]n1c(=[S]3)cccc1	0.52	1.0
Compound_48	CC1Cc2cccc(c2C(=O)O1)O	0.98	1.0
Compound_49	CC[C@H]([C@H]([C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@H](CCCCCC[C@H](C[C@@H](CN)O)O)C)O)C	0.03	0.0
Compound_50	COc1cc(O)c2c(c1)C1=C[C@H](O)[C@H](C[C@@]1(OC2=O)C)O	0.68	1.0
Compound_51	COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](O)[C@H]([C@@]([C@@H]1O)(C)O)O	0.92	1.0
Compound_52	Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@]1(O[C@H]2CCC1)C	0.96	1.0
Compound_53	O=C1N2CCC[C@@]32C[C@@H]2[C@]1(NC3=O)C[C@]1(C2(C)C)Nc2c(C1=O)cccc2	0.01	0.0
Compound_54	C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@H]([C@@H]3[C@]2(C(=O)N[C@H]3Cc2c[nH]c3c2cccc3)C(=O)/C=C/C(=O)[C@@H](C(=C1)C)O)C	0.04	0.0
Compound_55	C[C@H]1CC=C[C@H]2[C@@H]3O[C@]3(C)[C@H]([C@@H]3[C@]2(C(=O)N[C@H]3Cc2c[nH]c3c2cccc3)C(=O)CCC(=O)C(=O)/C(=C\1)/C)C	0.03	0.0
Compound_56	O[C@@H]1C[C@]2([C@]3([C@@H]1[C@@H](C2O)C(C)(C)CCC3)C)C	0.28	0.0
Compound_57	O[C@@H]1C[C@]2([C@]3([C@@H]1[C@@H](C2O)C(C)(C)[C@@H](CC3)O)C)C	0.28	0.0
Compound_58	CC(=O)OC[C@@]12[C@@H](C=C(C(=O)C1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1OC(=O)C)CO3	0.2	0.0
Compound_59	CCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@H](C(=O)[C@H]1C=O)O	0.68	1.0
Compound_60	COC1=CC(=O)c2c(C1=O)c(O)c1c(c2O)C2C[C@@H](OC(C1)(O2)C)C(=O)O	0.65	1.0
Compound_61	CCCCCC[C@@H]1O[C@]23O[C@H]1CC[C@@H]3[C@@H](CC[C@@H]2O)O	0.49	0.0
Compound_62	CCCCCC[C@@H]([C@@H]1CCC2=C(O1)[C@H](O)CCC2=O)O	0.6	1.0
Compound_63	COc1cc(C)c2c(c1c1c(OC)cc(c3c1oc(=O)cc3OC)C)oc(=O)cc2OC	0.9	1.0
Compound_64	COc1cc(O)c2c(c1)C(=O)c1c(C2=O)cc(c(c1)C)O	0.99	1.0
Compound_65	O=c1cc(cc(c(c1)O)O)C(=O)O	0.33	0.0
Compound_66	O=CC1=CC[C@H]2[C@H](CC[C@@]2(C[C@H]2[C@]1(O)C(=O)C[C@H]2C)C)C(=C)C	0.12	0.0
Compound_67	OC[C@]12CCC(=C[C@H]1O[C@H]1[C@]3([C@]2(C)[C@H](OC(=O)C=CC=C[C@@H]([C@@H](O)C)O)C1)CO3)C	0.26	0.0
Compound_68	Oc1c(=O)[nH]c2c(c1c1ccccc1)cccc2	0.53	1.0
Compound_69	O[C@@H]1CC(=C)[C@@H]2CC([C@@H]2CC(=O)[C@H]([C@@H]1O)C)(C)C	0.24	0.0
Compound_70	OC[C@@H](NC(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C	0.01	0.0
Compound_71	O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](C(C)C)C(=O)N1[C@H]2CCC1)O	0.01	0.0
Compound_72	CC([C@@H](C(=O)N1C(=O)[C@H]2CCCN2C(=O)[C@@H]1Cc1ccccc1)NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C	0.02	0.0
Compound_73	OC[C@H]1O[C@@H](O[C@@H]2C[C@]3([C@]4([C@@H]2O[C@H]2[C@]3(CO)[C@H](O)C(=O)C(=C2)C)OC4)C)[C@@H]([C@H]([C@@H]1O)O)O	0.31	0.0
Compound_74	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1OC(=O)C)CO3	0.18	0.0
Compound_75	OC[C@@]12[C@@H](C=C(C[C@H]1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1OC(=O)C)CO3	0.23	0.0
Compound_76	CC(=O)OCC12C(C=C(C(C1O)O)C)OC1C3(C2(C)CC1OC(=O)C)CO3	0.14	0.0
Compound_77	O=c1c2ccccc2nc2n1[C@@H]1C[C@@]3([C@]2(NC1=O)C)C(=O)Nc1c3cccc1	0.01	0.0
Compound_78	CC([C@H]1OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C1=O)C)CC(C)C)C(C)C)C)CC(C)C)C(C)C)C(C)C)C	0.64	1.0
Compound_79	CC[C@@H]([C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@H](CC)C)C)C(C)C)C	0.44	0.0
Compound_80	CC[C@@H]([C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@H](CC)C)C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@H](CC)C)C)C(C)C)C	0.44	0.0
Compound_81	CC([C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C1=O)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C	0.39	0.0
Compound_82	CC[C@@H]([C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C	0.44	0.0
Compound_83	COC1=CC(=O)c2c(C1=O)c(O)c1c(c2O)[C@@H](O)[C@H]([C@@](C1)(C)O)O	0.8	1.0
Compound_84	C/C/1=C\C(=O)OCC23CCC(=CC2OC2C4(C3(C)C(OC(=O)/C=C/C=C/C(OCC1)C(O)C)C2)CO4)C	0.44	0.0
Compound_85	COC1=CC(=O)c2c(C1=O)c(O)c1c(c2O)C2CC(OC(C1)(O2)C)C(=O)O	0.65	1.0
Compound_86	COc1c(O)c2C(=O)C=C3c4c2c(c1C[C@H](O)C)c1c(C[C@H](O)C)c(OC)c(c2c1c4C(=CC2=O)OCO3)O	0.3	0.0
Compound_87	CC[C@@H](/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C(=C(C(=O)O3)C(=O)[C@H]([C@H](O)C)C)C2=CO1)C)C	0.34	0.0
Compound_88	CC(=O)O[C@@H]1[C@@H](C)CN([C@H]2[C@H]1c1cccc3c1c(C2)c[nH]3)C	0.01	0.0
Compound_89	OC1[C@@H]2C(=O)C3=C(O)c4c(C(=O)[C@@]53C1C1[C@]32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)[C@H]5C1O)cc(cc4O)C	0.98	1.0
Compound_90	OC[C@@]12O[C@@]34O[C@@H]1[C@H](C[C@]2(C)[C@@]3(C)CCC(=C4)C)O	0.37	0.0
Compound_91	O=C1C=CC=CC2(OCCC3(C2O)OC3C(=O)OCC23C4(C(O1)CC(C14OC1)OC3C=C(CC2)C)C)C(=O)C	0.32	0.0
Compound_92	O=C1C=C/C=C/C2(OCCC3(C2O)OC3C(=O)OCC23C4(C(O1)CC(C14OC1)OC3C=C(CC2)C)C)C(O)C	0.11	0.0
Compound_93	OC(=O)[C@@H](N1Cc2c(C1=O)cc(c1c2O[C@]2(C1)[C@H](C)CCC1[C@]2(C)C[C@@H](O)[C@H](C1(C)C)O)O)CCCCN1Cc2c(C1=O)cc(c1c2O[C@]2(C1)[C@H](C)CCC1[C@]2(C)CC[C@H](C1(C)C)O)O	0.11	0.0
Compound_94	OC(=O)[C@@H](N1Cc2c(C1=O)cc(c1c2O[C@]2(C1)[C@H](C)CCC1[C@]2(C)CC[C@H](C1(C)C)O)O)CCCCN1Cc2c(C1=O)cc(c1c2O[C@]2(C1)[C@H](C)CCC1[C@]2(C)C[C@@H](O)[C@H](C1(C)C)O)O	0.11	0.0
Compound_95	OC[C@]12C[C@H](O)C(=C[C@H]1O[C@H]1C3([C@]2(C)[C@H](O)[C@H]1O)OC3)C	0.58	1.0
Compound_96	CC[C@@H]([C@H]([C@](C(=O)O)(/C=C/CC(=C)CCC(=O)C1C(=O)C[C@H](OC1=O)C)O)O)C	0.56	1.0
Compound_97	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](CCCCCCCC[C@@H]([C@@H](N)C)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C	0.03	0.0
Compound_98	CC(C[C@@H]1NC2N(C1=O)c1c([C@@]32C[C@@H]2C(=O)N[C@@](O3)(C)c3n2c(=O)c2c(n3)cccc2)cccc1)C	0.02	0.0
Compound_99	O=C1Oc2c(O)cc(c3c2c(C1=O)c(O)c1c3O[C@H](C1(C)C)C)C	0.8	1.0
Compound_100	COc1c(O)c(O)c2c3c1C(=O)C=C(c3c(c1c2OC(C1(C)C)C)O)C	0.83	1.0
Compound_101	COc1oc(C=O)cc(=O)c1C(=O)CCCCCCCC	0.73	1.0
Compound_102	COC1=C(C2=C(OC)C(=O)c3c(C2=O)c(O)c2c(c3)oc(cc2=O)C)C(=O)c2c(C1=O)cc1c(c2O)c(=O)cc(o1)C	0.87	1.0
Compound_103	COc1cc2cc3oc(C)cc(=O)c3c(c2c(c1)O)O	0.99	1.0
Compound_104	CC(=O)OC[C@@H](NC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)Cc1ccccc1	0.01	0.0
Compound_105	OC[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccccc1)Cc1ccccc1	0.01	0.0
Compound_106	OCc1cc(O)ccc1O	0.94	1.0
Compound_107	CC(CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)C	0.02	0.0
Compound_108	CC(CCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)C	0.02	0.0
Compound_109	COC1=C[C@]2(c3ccccc3N([C@]32N(C1=O)C(=Cc1cnc[nH]1)C(=O)N3)OC)C(C=C)(C)C	0.03	0.0
Compound_110	CSC1N(C)C(=O)/C(=C/c2ccc(cc2)OCC=C(C)C)/N(C1=O)C	0.29	0.0
Compound_111	COc1ccc2c(c1)n1[C@H](OOC(C[C@H]3c1c2[C@H](O)[C@@]1(N3C(=O)[C@H]2N(C1=O)CCC2)O)(C)C)C=C(C)C	0.05	0.0
Compound_112	CS[C@@]1(NC(=O)[C@@H](NC1=O)SC)Cc1ccc(cc1)O	0.1	0.0
Compound_113	COc1cc(O)c2c3c1[C@]1(Cc3c3c(c2O)C(=O)[C@]2([C@]([C@H]3O)(O)CC(=O)C(=C2O)C(=O)N)O)C(=CCCC1(C)C)C	0.08	0.0
Compound_114	C[C@H]1OC(=O)CC(=O)C=C[C@@H]2[C@H](C1)O2	0.44	0.0
Compound_115	O=C1N/C(=C/c2cnc[nH]2)/C(=O)NC1Cc1c[nH]c2c1cccc2	0.01	0.0
Compound_116	C=CC([C@@]12C=C(O)C(=O)N3[C@@]2(NC(=O)C3=Cc2cnc[nH]2)N(c2c1cccc2)O)(C)C	0.02	0.0
Compound_117	C=CC(C12CC3N(C1N(c1c2cccc1)O)C(=O)/C(=C\c1cnc[nH]1)/NC3=O)(C)C	0.01	0.0
Compound_118	CON1c2ccccc2C2(C31NC(=O)C(=Cc1cnc[nH]1)N3C(=O)C(C2)O)C(C=C)(C)C	0.01	0.0
Compound_119	C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1	0.09	0.0
Compound_120	CCOC(=O)C(NC(=O)c1ccc2c(c1O)C(=O)OC(C2)C)Cc1ccccc1	0.11	0.0
Compound_121	O=Cc1c([C@@H](C(=O)C)C)c(C)c(c(c1O)C)O	0.71	1.0
Compound_122	C=CC(C12CC3N(C1Nc1c2cccc1)C(=O)C(NC3=O)Cc1cnc[nH]1)(C)C	0.02	0.0
Compound_123	C=CC([C@@]12C[C@H]3N([C@@H]1Nc1c2cccc1)C(=O)/C(=C/c1ncn(c1)C(CC(=O)C)(C)C)/NC3=O)(C)C	0.02	0.0
Compound_124	C=CC(C12CC3N(C1=N(=O)c1c2cccc1)C(=O)/C(=C\c1cnc[nH]1)/NC3=O)(C)C	0.01	0.0
Compound_125	COC(=O)[C@]12C(=O)C(=C([C@]2(C)C(=C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CCC(=O)C1(C)C)C)O)C	0.16	0.0
Compound_126	CC(=O)O[C@@H]1C2=C(C)[C@@]3(C=CC(=O)OC3(C)C)CC[C@@]2(C)[C@@]23C(=C)[C@@]1(C)OC(=O)[C@@]3(O)[C@@H](OC2=O)C	0.47	0.0
Compound_127	CC([C@@H]1NC(=O)[C@H](n2c1nc1ccccc1c2=O)C[C@]1(O)[C@@H]2NC(C(=O)N2c2c1cccc2)(C)C)C	0.02	0.0
Compound_128	COc1c(OC)ccc2c1oc(=O)c(c2)NC(=O)C1=NO[C@@H]2[C@@](C1)(O)[C@H](O)C=C[C@H]2O	0.04	0.0
Compound_129	C[C@H]1O[C@H](O)c2c([C@@H]1C)c(C)c(c(c2O)C(=O)O)O	0.54	1.0
Compound_130	Oc1cccc(c1)c1c(O)c(=O)[nH]c2c1cccc2	0.45	0.0
Compound_131	COc1cc(oc(=O)c1)[C@H](Cc1ccccc1)NC(=O)C	0.3	0.0
Compound_132	CC(=CCc1[nH]c2c(c1C[C@@H]1NC(=O)[C@H]3N(C1=O)CCC3)cccc2)C	0.03	0.0
Compound_133	O=C1c2ccccc2NC(=O)C2(N1C)O[C@@H]2c1ccccc1	0.04	0.0
Compound_134	CC(C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N2)C(C)C)C	0.1	0.0
Compound_135	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@@]3([C@]2(C)C[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)OC3	0.29	0.0
Compound_136	CC(=O)O[C@H]1CC[C@@]2([C@@H](C1(C)C)CC[C@]1([C@H]2C=C(C)[C@@]2([C@@]1(C(=O)O)C(=O)C(=C2O)C)C)C)C	0.06	0.0
Compound_137	COc1c(OC)ccc2c1oc(=O)c(c2)N(C(=O)C1=NO[C@@H]2[C@@](C1)(O)[C@H](O)C=C[C@H]2O)C	0.02	0.0
Compound_138	O=C1N[C@@H](C)c2n([C@@H]1Cc1c[nH]c3c1cccc3)c(=O)c1c(n2)cccc1	0.02	0.0
Compound_139	COC1=C(C(C)C)[C@H]2[C@@](OC1=O)(C)CC/C(=C/1\[C@@H]3[C@H](C(=CC2)C)O[C@]([C@@H]3C(=O)O1)(C)O)/C	0.35	0.0
Compound_140	O=C1c2cccc(c2C(=O)c2c1cc1O[C@@H]3[C@@](c1c2O)(O)CCO3)O	0.61	1.0
Compound_141	C=CC(C1(CC2NC(=O)/C(=C\c3cnc[nH]3)/NC2=O)c2ccccc2N(C1=O)O)(C)C	0.01	0.0
Compound_142	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](CCCCCCCC[C@@H](C(O)C)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C	0.09	0.0
Compound_143	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](CCCCCC[C@H](C[C@@H](C(=O)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C	0.08	0.0
Compound_144	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](CCCCCCCC[C@@H](C(=O)C)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C	0.14	0.0
Compound_145	O=C1NC(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NC(C(=O)NC1Cc1ccccc1)C(C)C	0.1	0.0
Compound_146	ClCCN(CCCl)CC	0.8	1.0
Compound_147	ClCCN(CCCl)CCCl	0.37	0.0
Compound_148	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CC	0.51	1.0
Compound_149	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)C	0.51	1.0
Compound_150	CCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCCCCC	0.51	1.0
Compound_151	CCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCCCC	0.51	1.0
Compound_152	CCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCC	0.51	1.0
Compound_153	CCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.44	0.0
Compound_154	CCCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)C	0.51	1.0
Compound_155	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CC	0.51	1.0
Compound_156	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCC	0.51	1.0
Compound_157	CCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCCCCCC	0.51	1.0
Compound_158	CCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCCCCC	0.51	1.0
Compound_159	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCC	0.51	1.0
Compound_160	CCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCCC	0.51	1.0
Compound_161	CCCCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)C	0.51	1.0
Compound_162	CCCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CC	0.51	1.0
Compound_163	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCC	0.51	1.0
Compound_164	CCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCCCCCCC	0.51	1.0
Compound_165	CCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCCCCCC	0.51	1.0
Compound_166	CCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCC	0.51	1.0
Compound_167	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCCCC	0.51	1.0
Compound_168	CC(CCCCCCOS(=O)(=O)O)C	0.44	0.0
Compound_169	CC(COS(=O)(=O)O)CCCC(C)C	0.49	0.0
Compound_170	CCCCCCC[C@@H](OS(=O)(=O)O)C	0.42	0.0
Compound_171	CC(CCCCCCCOS(=O)(=O)O)C	0.44	0.0
Compound_172	CCCCCCCCC(OS(=O)(=O)O)C	0.42	0.0
Compound_173	CCCCCC(OS(=O)(=O)O)CCCC	0.76	1.0
Compound_174	CCCCCCCCC(COS(=O)(=O)O)CCCCCC	0.57	1.0
Compound_175	CCCCCCCCCCCCCCC(OS(=O)(=O)O)C	0.45	0.0
Compound_176	CCCCCCCCCC(COS(=O)(=O)O)CCCCC	0.57	1.0
Compound_177	CCCCCCCCCCCCCCCCCOS(=O)(=O)O	0.5	0.0
Compound_178	CCCCC(CCC(OS(=O)(=O)O)CCC(CC)CC)CC	0.41	0.0
Compound_179	CCCCCCCCOCCOCCOS(=O)(=O)O	0.48	0.0
Compound_180	CCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.48	0.0
Compound_181	CCCCCCCCCOCCOS(=O)(=O)O	0.48	0.0
Compound_182	CCCCCCCCCOCCOCCOS(=O)(=O)O	0.48	0.0
Compound_183	CCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.48	0.0
Compound_184	CCCCCCCCCCOCCOS(=O)(=O)O	0.48	0.0
Compound_185	CCCCCCCCCCOCCOCCOS(=O)(=O)O	0.48	0.0
Compound_186	CCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_187	CCCCCCCCCCCOCCOS(=O)(=O)O	0.48	0.0
Compound_188	CCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.48	0.0
Compound_189	CCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_190	CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_191	CCCCCCCCCCCCCOCCOS(=O)(=O)O	0.48	0.0
Compound_192	CCCCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_193	CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_194	CCCCCCCCCCCCCCOCCOS(=O)(=O)O	0.59	1.0
Compound_195	CCCCCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_196	CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_197	CCCCCCCCCCCCCCCOCCOS(=O)(=O)O	0.59	1.0
Compound_198	CCCCCCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_199	CCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_200	CCCCCCCCCCCCCCCCOCCOS(=O)(=O)O	0.59	1.0
Compound_201	CCCCCCCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_202	CCCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_203	CCCCCCCCCCCCCCCCCOCCOS(=O)(=O)O	0.59	1.0
Compound_204	CCCCCCCCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_205	CCCCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_206	CCCCCCCCCCCCCCCCCCOCCOS(=O)(=O)O	0.59	1.0
Compound_207	CCCCCCCCCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_208	CCCCCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_209	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_210	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_211	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)O	0.59	1.0
Compound_212	CCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.48	0.0
Compound_213	CCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.48	0.0
Compound_214	CCCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.48	0.0
Compound_215	CCCCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.48	0.0
Compound_216	CCCCCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.48	0.0
Compound_217	CCCCCCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.48	0.0
Compound_218	CCCCCCCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.48	0.0
Compound_219	CCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCC	0.51	1.0
Compound_220	CCCCCOC(=O)C(S(=O)(=O)O)CC(=O)OCCCC	0.62	1.0
Compound_221	CCCCCCOC(=O)C(S(=O)(=O)O)CC(=O)OCCCC	0.61	1.0
Compound_222	CCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCC	0.62	1.0
Compound_223	CCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCC	0.61	1.0
Compound_224	CCN1C(=O)CC(C1=O)S(=O)(=O)O	0.21	0.0
Compound_225	CCCCN1C(=O)CC(C1=O)S(=O)(=O)O	0.25	0.0
Compound_226	CCCCCCN1C(=O)CC(C1=O)S(=O)(=O)O	0.25	0.0
Compound_227	CCCCCCCCN1C(=O)CC(C1=O)S(=O)(=O)O	0.26	0.0
Compound_228	CCCCCCCCCCN1C(=O)CC(C1=O)S(=O)(=O)O	0.26	0.0
Compound_229	CCCCCCCCCCCCN1C(=O)CC(C1=O)S(=O)(=O)O	0.29	0.0
Compound_230	CCCCCCCCCCCCCCN1C(=O)CC(C1=O)S(=O)(=O)O	0.27	0.0
Compound_231	CCCCCCCCCCCCCCCCN1C(=O)CC(C1=O)S(=O)(=O)O	0.27	0.0
Compound_232	CCCCCCCCCCCCCCCCCCN1C(=O)CC(C1=O)S(=O)(=O)O	0.27	0.0
Compound_233	CCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.26	0.0
Compound_234	CCCCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.28	0.0
Compound_235	CCCCCCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.21	0.0
Compound_236	CCCCCCCCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.21	0.0
Compound_237	CCCCCCCCCCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.22	0.0
Compound_238	CCCCCCCCCCCCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.21	0.0
Compound_239	CCCCCCCCCCCCCCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.21	0.0
Compound_240	CCCCCCCCCCCCCCCCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.21	0.0
Compound_241	CCCCCCCCCCCCCCCCCCN1C(=O)C(C(C1=O)S(=O)(=O)O)CC	0.21	0.0
Compound_242	CCCCCCCCCCCCCCCCNC(=O)C(S(=O)(=O)O)C(=O)O	0.09	0.0
Compound_243	CCCCCCCCCCCCCCCCCNC(=O)C(S(=O)(=O)O)C(=O)O	0.09	0.0
Compound_244	CCCCCCCCCCCCCCCCCCNC(=O)C(S(=O)(=O)O)C(=O)O	0.09	0.0
Compound_245	CCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)OC	0.27	0.0
Compound_246	CCCCCCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)OC	0.27	0.0
Compound_247	CCCCCCCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)OC	0.27	0.0
Compound_248	CCCCCCCCCCCCCC/C=C/S(=O)(=O)O	0.48	0.0
Compound_249	CCCCCCCCCCCCCCC/C=C/S(=O)(=O)O	0.48	0.0
Compound_250	CCCCCCCCCCCCCCCC/C=C/S(=O)(=O)O	0.48	0.0
Compound_251	CCCCCCCCCCCCCCCCC/C=C/S(=O)(=O)O	0.48	0.0
Compound_252	CCCCCCCCCCCCCCCCCC/C=C/S(=O)(=O)O	0.48	0.0
Compound_253	CCCCCCCCCOCCOCC(=O)O	0.83	1.0
Compound_254	CCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_255	CCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_256	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_257	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_258	CCCCCCCCCCOCCOCC(=O)O	0.83	1.0
Compound_259	CCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_260	CCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_261	CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_262	CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_263	CCCCCCCCCCCOCCOCC(=O)O	0.83	1.0
Compound_264	CCCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_265	CCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_266	CCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_267	CCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_268	CCCCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_269	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_270	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_271	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_272	CCCCCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_273	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_274	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_275	CCCCCCCCCCCCCCOCCOCC(=O)O	0.84	1.0
Compound_276	CCCCCCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_277	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_278	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_279	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_280	CCCCCCCCCCCCCCCOCCOCC(=O)O	0.84	1.0
Compound_281	CCCCCCCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_282	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_283	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_284	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_285	CCCCCCCCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_286	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_287	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_288	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_289	CCCCCCCCCCCCCCCCCOCCOCC(=O)O	0.84	1.0
Compound_290	CCCCCCCCCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_291	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_292	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_293	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_294	CCCCCCCCCCCCCCCCCCOCCOCC(=O)O	0.84	1.0
Compound_295	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_296	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_297	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_298	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O	0.84	1.0
Compound_299	CCCCCCCCCCCCCCCCCOP(=O)(O)O	0.95	1.0
Compound_300	CC(CCCCCCCCCCOCCOP(=O)(O)O)C	0.66	1.0
Compound_301	CC(CCCCCCCCCCOCCOCCOP(=O)(O)O)C	0.71	1.0
Compound_302	CC(CCCCCCCCCCOCCOCCOCCOP(=O)(O)O)C	0.71	1.0
Compound_303	OC(=O)CC[C@@H](C(=O)O)N	0.01	0.0
Compound_304	CCCCCCC(CCC)OCCOCCOCCO	0.97	1.0
Compound_305	CCCCCCC(CCC)OCCOCCOCCOCCO	0.97	1.0
Compound_306	CCCCCCC(CCC)OCCOCCOCCOCCOCCO	0.97	1.0
Compound_307	CCCCCCC(CCC)OCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_308	CCCCCCC(CCC)OCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_309	CCCCCCC(CCC)OCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_310	CCCCCCC(CCC)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_311	CCCCCCC(CCC)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_312	CCCCCCCCCCOCCOCCOC(COC(COC(O/C=C/CO)CO)O/C=C/CO)O/C=C/CO	0.89	1.0
Compound_313	CCCCCCCCCCOCCOCCOCCOC(COC(COC(O/C=C/CO)CO)O/C=C/CO)O/C=C/CO	0.89	1.0
Compound_314	CCCCCCCCCCOCCOCCOCCOCCOC(COC(COC(O/C=C/CO)CO)O/C=C/CO)O/C=C/CO	0.88	1.0
Compound_315	CCCCCCCCCCOCCOCCOCCOCCOCCOC(COC(COC(O/C=C/CO)CO)O/C=C/CO)O/C=C/CO	0.88	1.0
Compound_316	CCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(COC(COC(O/C=C/CO)CO)O/C=C/CO)O/C=C/CO	0.87	1.0
Compound_317	CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(COC(COC(O/C=C/CO)CO)O/C=C/CO)O/C=C/CO	0.87	1.0
Compound_318	CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOC(COC(COC(O/C=C/CO)CO)O/C=C/CO)O/C=C/CO	0.87	1.0
Compound_319	OCCOCCOCCOCCOCCOCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_320	OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_321	OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_322	OCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_323	OCCOCCOCCOCCOCCOCCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_324	OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_325	OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_326	OCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_327	OCCOCCOCCOCCOCCOCCCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_328	OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_329	OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_330	OCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCOC(C)(C)C	0.71	1.0
Compound_331	OCCOCCCCCCCCCCC(C)C	0.98	1.0
Compound_332	OCCOCCOCCCCCCCCCCC(C)C	0.98	1.0
Compound_333	OCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_334	OCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_335	OCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_336	OCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_337	OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_338	OCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_339	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_340	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_341	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_342	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_343	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_344	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_345	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_346	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_347	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_348	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_349	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_350	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C	0.94	1.0
Compound_351	CCCCCCCCCCCCOCC(OCC(OCCOCCO)C)C	0.91	1.0
Compound_352	CCCCCCCCCCCCOCC(OCC(OCC(OCCOCCO)C)C)C	0.91	1.0
Compound_353	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C	0.91	1.0
Compound_354	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C)C	0.91	1.0
Compound_355	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_356	CCCCCCCCCCCCOCC(OCC(OCCOCCOCCO)C)C	0.91	1.0
Compound_357	CCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCO)C)C)C	0.91	1.0
Compound_358	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_359	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_360	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_361	CCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCO)C)C	0.91	1.0
Compound_362	CCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_363	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_364	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_365	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_366	CCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_367	CCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_368	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_369	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_370	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_371	CCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_372	CCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_373	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_374	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_375	CCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_376	CCCCCCCCCCCCCOCC(OCC(OCCOCCO)C)C	0.91	1.0
Compound_377	CCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCO)C)C)C	0.91	1.0
Compound_378	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C	0.91	1.0
Compound_379	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C)C	0.91	1.0
Compound_380	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_381	CCCCCCCCCCCCCOCC(OCC(OCCOCCOCCO)C)C	0.91	1.0
Compound_382	CCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCO)C)C)C	0.91	1.0
Compound_383	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_384	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_385	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_386	CCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCO)C)C	0.91	1.0
Compound_387	CCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_388	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_389	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_390	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_391	CCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_392	CCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_393	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_394	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_395	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_396	CCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_397	CCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_398	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_399	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_400	CCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_401	CCCCCCCCCCCCCCOCC(OCC(OCCOCCO)C)C	0.91	1.0
Compound_402	CCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCO)C)C)C	0.91	1.0
Compound_403	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C	0.91	1.0
Compound_404	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C)C	0.91	1.0
Compound_405	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_406	CCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCO)C)C	0.91	1.0
Compound_407	CCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCO)C)C)C	0.91	1.0
Compound_408	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_409	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_410	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_411	CCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCO)C)C	0.91	1.0
Compound_412	CCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_413	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_414	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_415	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_416	CCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_417	CCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_418	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_419	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_420	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_421	CCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_422	CCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_423	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_424	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_425	CCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_426	CCCCCCCCCCCCCCCOCC(OCC(OCCOCCO)C)C	0.91	1.0
Compound_427	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCO)C)C)C	0.91	1.0
Compound_428	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C	0.91	1.0
Compound_429	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C)C	0.91	1.0
Compound_430	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_431	CCCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCO)C)C	0.91	1.0
Compound_432	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCO)C)C)C	0.91	1.0
Compound_433	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_434	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_435	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_436	CCCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCO)C)C	0.91	1.0
Compound_437	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_438	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_439	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_440	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_441	CCCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_442	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_443	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_444	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_445	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_446	CCCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_447	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_448	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C	0.91	1.0
Compound_449	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C)C	0.91	1.0
Compound_450	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C)C)C)C	0.91	1.0
Compound_451	CCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_452	CCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_453	CCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_454	CCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_455	CCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_456	CCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_457	CCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_458	CCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_459	CCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_460	CCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_461	CCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_462	CCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_463	CCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_464	CCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_465	CCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_466	CCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_467	CCCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_468	CCCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_469	CCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_470	CCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_471	CCCCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_472	CCCCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_473	CCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_474	CCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_475	CCCCCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_476	CCCCCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_477	CCCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_478	CCCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_479	CCCCCCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_480	CCCCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_481	CCCCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_482	CCCCCCCCCCCCCCCCOCC(OCCOCCOCCOCCOCCOCCOCCO)C	0.97	1.0
Compound_483	CCCCCCCCCCCCCCCCOCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C	0.91	1.0
Compound_484	CCCCCCCCCCCCCCCCOCC(OCC(OCC(OCCOCCOCCOCCOCCOCCOCCO)C)C)C	0.91	1.0
Compound_485	CCCCCCCCCCCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_486	CCCCCCCCCCCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_487	CCCCCCCCCCCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_488	CCCCCCCCCCCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_489	CCCCCCCCCCCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_490	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_491	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_492	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_493	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_494	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_495	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_496	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_497	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_498	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_499	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_500	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_501	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_502	CCCCCCCCCCCCCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_503	CCCCCCCCCCCCCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_504	CCCCCCCCCCCCCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_505	CCCCCCCCCCCCCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_506	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_507	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_508	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_509	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_510	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_511	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_512	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_513	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_514	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_515	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_516	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_517	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_518	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_519	CCCCCCCCCCCCCCCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_520	CCCCCCCCCCCCCCCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_521	CCCCCCCCCCCCCCCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_522	CCCCCCCCCCCCCCCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_523	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_524	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_525	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_526	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_527	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_528	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_529	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_530	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_531	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_532	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_533	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_534	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_535	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_536	CCCCCCCCCCCCCCCCCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_537	CCCCCCCCCCCCCCCCCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_538	CCCCCCCCCCCCCCCCCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_539	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_540	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_541	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_542	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_543	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_544	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_545	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.81	1.0
Compound_546	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_547	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_548	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_549	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_550	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_551	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_552	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(CO)O	0.8	1.0
Compound_553	CCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.51	1.0
Compound_554	CCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.68	1.0
Compound_555	CCCC(COC1OC(CO)C(C(C1O)O)O)CCC	0.67	1.0
Compound_556	CCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)CC	0.65	1.0
Compound_557	CCCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)C	0.69	1.0
Compound_558	CCCCCCCCCCC(OC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.69	1.0
Compound_559	CCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_560	CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_561	CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_562	CCCCCCCCCCCCCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_563	CCCCCCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_564	CCCCCCCCC(=O)NCCO	0.74	1.0
Compound_565	CCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_566	CCCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_567	CCCCCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_568	CCCCCCCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_569	CCCCCCCCCCCOCCOCCOCCOCCC(=O)NCCO	0.12	0.0
Compound_570	CCCCCCCCCCCOCCOCCOCCOCCOCCC(=O)NCCO	0.12	0.0
Compound_571	CCCCCCCCCCCCC(=O)N(CCO)CCO	0.84	1.0
Compound_572	CCCCCCCCCCCCCCC(=O)N(CCO)CCO	0.84	1.0
Compound_573	CCCCCCCCCCCCCCCCC(=O)N(CCO)CCO	0.84	1.0
Compound_574	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_575	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_576	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_577	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_578	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_579	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_580	OCCNCCOCCO	0.59	1.0
Compound_581	OCCOCCNCCOCCO	0.3	0.0
Compound_582	OCCOCCN(CCO)C	0.35	0.0
Compound_583	OCCOCCN(CCOCCO)C	0.16	0.0
Compound_584	OCCOCCOCCNCCOCCOCCO	0.3	0.0
Compound_585	OCCNCCOCCOCCO	0.41	0.0
Compound_586	OCCOCCNCCOCCOCCO	0.3	0.0
Compound_587	OCCOCCOCCN(CCOCCOCCO)C	0.16	0.0
Compound_588	OCCOCCOCCN(CCO)C	0.16	0.0
Compound_589	OCCOCCOCCN(CCOCCO)C	0.16	0.0
Compound_590	OCCNCCOCCOCCOCCO	0.41	0.0
Compound_591	OCCOCCNCCOCCOCCOCCO	0.3	0.0
Compound_592	OCCOCCOCCNCCOCCOCCOCCO	0.3	0.0
Compound_593	OCCOCCOCCOCCNCCOCCOCCOCCO	0.33	0.0
Compound_594	OCCOCCOCCOCCN(CCO)C	0.16	0.0
Compound_595	OCCOCCOCCOCCN(CCOCCO)C	0.16	0.0
Compound_596	OCCOCCOCCOCCN(CCOCCOCCO)C	0.16	0.0
Compound_597	OCCOCCOCCOCCN(CCOCCOCCOCCO)C	0.21	0.0
Compound_598	OCCNCCOCCOCCOCCOCCO	0.41	0.0
Compound_599	OCCOCCNCCOCCOCCOCCOCCO	0.3	0.0
Compound_600	OCCOCCOCCNCCOCCOCCOCCOCCO	0.33	0.0
Compound_601	OCCOCCOCCOCCNCCOCCOCCOCCOCCO	0.33	0.0
Compound_602	OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCO	0.33	0.0
Compound_603	OCCOCCOCCOCCOCCN(CCO)C	0.16	0.0
Compound_604	OCCOCCOCCOCCOCCN(CCOCCO)C	0.16	0.0
Compound_605	OCCOCCOCCOCCOCCN(CCOCCOCCO)C	0.21	0.0
Compound_606	OCCOCCOCCOCCOCCN(CCOCCOCCOCCO)C	0.21	0.0
Compound_607	OCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCO)C	0.21	0.0
Compound_608	OCCOCCOCCOCCOCCOCCNCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_609	OCCOCCOCCOCCNCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_610	OCCOCCOCCNCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_611	OCCOCCNCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_612	OCCNCCOCCOCCOCCOCCOCCO	0.41	0.0
Compound_613	OCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCOCCO)C	0.21	0.0
Compound_614	OCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCO)C	0.21	0.0
Compound_615	OCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCO)C	0.21	0.0
Compound_616	OCCOCCOCCOCCOCCOCCN(CCOCCOCCO)C	0.21	0.0
Compound_617	OCCOCCOCCOCCOCCOCCN(CCOCCO)C	0.21	0.0
Compound_618	OCCOCCOCCOCCOCCOCCN(CCO)C	0.16	0.0
Compound_619	OCCOCCOCCOCCOCCOCCOCCNCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_620	OCCOCCOCCOCCOCCOCCNCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_621	OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_622	OCCOCCOCCNCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_623	OCCOCCNCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_624	OCCNCCOCCOCCOCCOCCOCCOCCO	0.46	0.0
Compound_625	OCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCOCCO)C	0.21	0.0
Compound_626	OCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCO)C	0.21	0.0
Compound_627	OCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCO)C	0.21	0.0
Compound_628	OCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCO)C	0.21	0.0
Compound_629	OCCOCCOCCOCCOCCOCCOCCN(CCOCCO)C	0.21	0.0
Compound_630	OCCOCCOCCOCCOCCOCCOCCN(CCO)C	0.21	0.0
Compound_631	OCCOCCOCCOCCOCCOCCOCCOCCNCCOCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_632	OCCOCCOCCOCCOCCOCCOCCNCCOCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_633	OCCOCCOCCOCCOCCOCCNCCOCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_634	OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_635	OCCOCCOCCOCCNCCOCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_636	OCCOCCNCCOCCOCCOCCOCCOCCOCCOCCO	0.33	0.0
Compound_637	OCCNCCOCCOCCOCCOCCOCCOCCOCCO	0.46	0.0
Compound_638	OCCOCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCOCCOCCOCCO)C	0.21	0.0
Compound_639	OCCOCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCOCCOCCO)C	0.21	0.0
Compound_640	OCCOCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCOCCO)C	0.21	0.0
Compound_641	OCCOCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCO)C	0.21	0.0
Compound_642	OCCOCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCO)C	0.21	0.0
Compound_643	OCCOCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCO)C	0.21	0.0
Compound_644	OCCOCCOCCOCCOCCOCCOCCOCCN(CCOCCO)C	0.21	0.0
Compound_645	OCCOCCOCCOCCOCCOCCOCCOCCN(CCO)C	0.21	0.0
Compound_646	CCCCCCCCCCCCCCCCCCOCCN	0.92	1.0
Compound_647	CCCCCCCCCCCCCCCCCCOCCOCCN	0.95	1.0
Compound_648	CCCCCCCCCCCCCCCCCCOCCOCCOCCN	0.97	1.0
Compound_649	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCN	0.96	1.0
Compound_650	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_651	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_652	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_653	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_654	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_655	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_656	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_657	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_658	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_659	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_660	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_661	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_662	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_663	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_664	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_665	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_666	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_667	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_668	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_669	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_670	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.96	1.0
Compound_671	CCCCCCCCCCC/C=C/CCCCCOCCN	0.95	1.0
Compound_672	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCN	0.96	1.0
Compound_673	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCN	0.97	1.0
Compound_674	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCN	0.97	1.0
Compound_675	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCN	0.97	1.0
Compound_676	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCN	0.97	1.0
Compound_677	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.97	1.0
Compound_678	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.97	1.0
Compound_679	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	0.97	1.0
Compound_680	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_681	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_682	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_683	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_684	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_685	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_686	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_687	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_688	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_689	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_690	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_691	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_692	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_693	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_694	NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCC/C=C/CCCCCCCCCCC	0.97	1.0
Compound_695	OCCOC(C1OCC([C@@H]1OCCO)OCCO)COCCOC(=O)CCCCCCCCCCCCCCCCC	0.96	1.0
Compound_696	CCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.58	1.0
Compound_697	CCCCCCCCCC(=O)OCC([C@H]1OC[C@H]([C@@H]1O)O)O	0.62	1.0
Compound_698	CCCCCCCC(=O)OCC(C1OCC(C1OC(=O)CCCCCCC)O)O	0.56	1.0
Compound_699	CCCCCCCCC(=O)OCC(C1OCC(C1OC(=O)CCCCCCCC)O)O	0.53	1.0
Compound_700	CCCCCCCCCC(=O)OCC(C1OCC(C1OC(=O)CCCCCCCCC)O)O	0.53	1.0
Compound_701	CCCCCCCCCCCCOCCC(=O)OC	0.93	1.0
Compound_702	CCCCCCCCCCCCOCCOCCC(=O)OC	0.73	1.0
Compound_703	CCCCCCCCCCCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_704	CCCCCCCCCCCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_705	CCCCCCCCCCCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_706	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_707	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_708	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_709	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_710	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_711	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_712	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_713	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_714	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_715	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_716	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_717	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_718	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_719	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_720	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_721	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_722	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_723	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_724	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_725	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_726	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_727	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_728	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_729	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_730	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC	0.73	1.0
Compound_731	CCCCCCCCOCCOCCO	0.98	1.0
Compound_732	CCCCCCCCCOCCO	0.98	1.0
Compound_733	CCCCCCCCCOCCOCCO	0.98	1.0
Compound_734	CCCCCCCCCCCOCCO	0.98	1.0
Compound_735	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_736	CCCCCCCCCOCCOCCOCCO	0.97	1.0
Compound_737	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_738	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_739	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_740	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_741	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_742	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_743	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_744	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_745	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_746	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_747	CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_748	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_749	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_750	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_751	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_752	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_753	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_754	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_755	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_756	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_757	CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_758	CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_759	CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_760	CCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_761	CCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_762	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_763	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_764	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_765	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_766	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_767	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_768	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_769	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_770	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_771	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_772	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_773	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_774	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_775	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_776	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_777	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_778	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_779	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_780	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_781	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_782	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_783	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_784	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_785	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_786	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_787	CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_788	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_789	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_790	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_791	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_792	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_793	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_794	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_795	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_796	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_797	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_798	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_799	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_800	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_801	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_802	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_803	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_804	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_805	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_806	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_807	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_808	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_809	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_810	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_811	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_812	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_813	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_814	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_815	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_816	CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_817	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_818	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_819	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_820	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_821	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_822	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_823	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_824	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_825	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_826	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_827	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_828	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_829	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_830	CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_831	CCCCCCCCCCCCCCCCCOCCO	0.98	1.0
Compound_832	CCCCCCCCCCCCCCCCCOCCOCCO	0.98	1.0
Compound_833	CCCCCCCCCCCCCCCCCCOCCOCCO	0.98	1.0
Compound_834	CCCCCCCCCCCCCCCCCOCCOCCOCCO	0.97	1.0
Compound_835	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCO	0.97	1.0
Compound_836	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_837	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCO	0.97	1.0
Compound_838	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_839	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_840	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_841	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_842	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_843	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_844	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_845	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_846	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_847	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_848	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_849	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_850	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_851	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_852	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_853	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_854	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_855	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_856	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_857	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_858	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_859	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_860	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_861	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_862	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_863	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_864	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_865	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_866	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_867	CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_868	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_869	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_870	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_871	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_872	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_873	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_874	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_875	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_876	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_877	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_878	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_879	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_880	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_881	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_882	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_883	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_884	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_885	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_886	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_887	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_888	CCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.24	0.0
Compound_889	CCCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.24	0.0
Compound_890	CCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_891	CCCCCCCCCCC(=O)NCCC[N+](CC(=O)O)(C)C	0.01	0.0
Compound_892	CCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_893	CCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_894	CCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_895	CCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_896	CCCCCCCCCCCCN=O	0.97	1.0
Compound_897	CCCCCCCCCCCCCN=O	0.97	1.0
Compound_898	CCCCCCCCCCCCCCN=O	0.97	1.0
Compound_899	CCCCCCCCCCCCCCCN=O	0.97	1.0
Compound_900	CCCCCCCCCCCCCCCCN=O	0.97	1.0
Compound_901	CCCCCCCCCCCCCCCCCN=O	0.97	1.0
Compound_902	CCCCCCCCCCCCCCCCCCN=O	0.97	1.0
Compound_903	CCCCCCCCCCCCC(=O)NCCCN=O	0.22	0.0
Compound_904	CCCCCCCCCCCCCC(=O)NCCCN=O	0.22	0.0
Compound_905	CCCCCCCCCCCCCCC(=O)NCCCN=O	0.22	0.0
Compound_906	CCCCCCCCCCCCCCCC(=O)NCCCN=O	0.22	0.0
Compound_907	CCCCCCCCCCCCCCCCC(=O)NCCCN=O	0.22	0.0
Compound_908	CCCCCCCCCCCCCCCCCC(=O)NCCCN=O	0.22	0.0
Compound_909	CCCCCCCCCCCCCCCCCCC(=O)NCCCN=O	0.22	0.0
Compound_910	CCCCCCCCCCCCCCCCCN(=O)(C)C	0.77	1.0
Compound_911	CCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.07	0.0
Compound_912	CCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.08	0.0
Compound_913	CCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.08	0.0
Compound_914	CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.08	0.0
Compound_915	CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.08	0.0
Compound_916	CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.08	0.0
Compound_917	CCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.08	0.0
Compound_918	CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.08	0.0
Compound_919	CCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.08	0.0
Compound_920	CCCCCCCCC[N+](Cc1ccccc1)(C)C	0.27	0.0
Compound_921	CCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.27	0.0
Compound_922	CCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.27	0.0
Compound_923	CCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.27	0.0
Compound_924	CCCCCCCCCC[N+](C)(C)C	0.69	1.0
Compound_925	CCCCCCCCCCC[N+](C)(C)C	0.69	1.0
Compound_926	CCCCCCCCCCCCC[N+](C)(C)C	0.77	1.0
Compound_927	CCCCCCCCCCCCCCC[N+](C)(C)C	0.77	1.0
Compound_928	CCCCCCCCCCCCCCCCC[N+](C)(C)C	0.77	1.0
Compound_929	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(CCOC(=O)CCCCCCCCCCCCCCC)CCO	0.32	0.0
Compound_930	CCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCC)(CCOC(=O)CCCCCCCCCCCCCCCC)CCO	0.32	0.0
Compound_931	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCO	0.32	0.0
Compound_932	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(CCO)CCO	0.44	0.0
Compound_933	CCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCC)(CCO)CCO	0.44	0.0
Compound_934	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCO)CCO	0.44	0.0
Compound_935	N#CCC(C(C#N)(Br)C)Br	0.89	1.0
Compound_936	OCNCC(=O)O	0.4	0.0
Compound_937	[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-]	0.02	0.0
Compound_938	OC(=O)CCC(N(CC(=O)O)CC(=O)O)C(=O)O	0.03	0.0
Compound_939	Cc1cc(CNC(=O)c2cc3c(n2Cc2cccc(c2)C(=N)N)cccc3C)cc(c1)C	0.06	0.0
Compound_940	OC(=O)C(CC(=O)O)NC(C(=O)O)CC(=O)O	0.04	0.0
Compound_941	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1	0.29	0.0
Compound_942	OC(=O)C(C(=O)O)C(=O)O	0.13	0.0
Compound_943	O=C(CCc1ccc(cc1)O)OCC(COC(=O)CCc1ccc(cc1)O)(COC(=O)CCc1ccc(cc1)O)COC(=O)CCc1ccc(cc1)O	0.95	1.0
Compound_944	CCCCCC(OC(=O)c1ccccc1O)CC	0.87	1.0
Compound_945	CCCCC(COc1ccc(c(c1)O)c1nc(nc(n1)c1ccc(cc1)OC)c1cc(O)cc(c1)OCC(CCCC)CC)CC	0.16	0.0
Compound_946	O[C@H]1CCC2(C(C1)C[C@@H](C1[C@H]2CCC2([C@@H]1CC[C@H]2[C@H](CCC(=O)[O-])C)C)O)C	0.01	0.0
Compound_947	CCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O	0.59	1.0
Compound_948	CCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCC)CO	0.7	1.0
Compound_949	CCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCC)CO	0.7	1.0
Compound_950	CCCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCCC)CO	0.7	1.0
Compound_951	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	0.08	0.0
Compound_952	CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC	0.08	0.0
Compound_953	CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC	0.08	0.0
Compound_954	C[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(O[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)C	0.32	0.0
Compound_955	C[Si](O[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)(O[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)C	0.32	0.0
Compound_956	C[Si](O[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)(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	0.32	0.0
Compound_957	OCC=C(CCC=C(C)C)C	0.2	0.0
Compound_958	COCCOCCOCC=C	0.92	1.0
Compound_959	CC(C(O)C)OC(C(O)C)C	0.37	0.0
Compound_960	C=CCOCCOCCOCCOCCOCC=C	0.98	1.0
Compound_961	CC(=O)O[C@@H]1CC2C(C1(C)CC2)(C)C	0.2	0.0
Compound_962	CC(=C)[C@H]1CC[C@@]([C@H]1C)(C)O	0.08	0.0
Compound_963	CC1COC(=O)CCCCCCCCC(=O)C1	0.97	1.0
Compound_964	COc1c(CC=C)cccc1O	0.61	1.0
Compound_965	CC(=O)Cc1ccc(cc1)C(C)(C)C	0.98	1.0
Compound_966	CCCCC(c1ccccc1)C	0.64	1.0
Compound_967	CCCCC=CC(C)(C)C	0.83	1.0
Compound_968	C=COCc1ccc(cc1)C	0.94	1.0
Compound_969	C=CC(C(=C)C)C=C(C)C	0.83	1.0
Compound_970	C[C@@H]1CC[C@@H](C(=O)C1)C(C)C	0.38	0.0
Compound_971	CC(CC)CCC=C	0.78	1.0
Compound_972	CCC(=CC(C)(C)C)C	0.76	1.0
Compound_973	OCC(OCC(OC)C)C	0.75	1.0
Compound_974	C=CCOCC(OCC(O)C)C	0.74	1.0
Compound_975	CCC=CC(C)(C)C	0.96	1.0
Compound_976	C=CCC(C=CC)C	0.73	1.0
Compound_977	COCOC(C)(C)C	0.89	1.0
Compound_978	CCCOC(C)C	0.84	1.0
Compound_979	CC(OCOC(C)C)C	0.94	1.0
Compound_980	CC(=C)[C@@H]1CC=C(C(=O)C1)C	0.78	1.0
Compound_981	CCCCC(=O)C(F)(F)F	0.95	1.0
Compound_982	CCCCCCCCCCC=CCO	0.97	1.0
Compound_983	CC(=O)C=C(C1C(=CCCC1(C)C)C)C	0.61	1.0
Compound_984	CCCCC=CCCCCCCCCCC(=O)O	0.59	1.0
Compound_985	CC(=O)C=CC1=C(C)C=CCC1(C)C	0.78	1.0
Compound_986	OCCCCCCCC(O)(C)C	0.6	1.0
Compound_987	O=CCc1ccc(cc1)C(C)(C)C	0.98	1.0
Compound_988	C[C@@H](c1ccccc1)O	0.49	0.0
Compound_989	CCCCCCCCC=CCCCCCC	0.94	1.0
Compound_990	CCCC1CCCCC1C	0.83	1.0
Compound_991	CC1=C(C)C(C(C1)C)(C)C	0.86	1.0