Index	SMILES	Probability	Label
Compound_1	O=N(=O)c1ccc(cc1)P(c1ccccc1)(c1ccccc1)c1ccccc1	0.89	1.0
Compound_2	O=N(=O)c1cccc(c1)S(=O)(=O)O	0.75	1.0
Compound_3	Brc1ccc(c(c1)N(=O)=O)Br	0.49	0.0
Compound_4	O=N(=O)c1ccccc1Br	0.49	0.0
Compound_5	O=N(=O)c1ccccc1S(=O)(=O)Cl	0.58	1.0
Compound_6	O=Cc1ccccc1N(=O)=O	0.73	1.0
Compound_7	O=N(=O)c1ccccc1SSc1ccccc1N(=O)=O	0.83	1.0
Compound_8	O=C1OC(=O)c2c1cccc2N(=O)=O	0.54	1.0
Compound_9	ClC(=O)c1cccc(c1)N(=O)=O	0.7	1.0
Compound_10	ClC(=O)c1ccc(cc1)N(=O)=O	0.7	1.0
Compound_11	O=N(=O)c1ccc(cc1)S(=O)(=O)Cl	0.61	1.0
Compound_12	O=Cc1ccc(cc1)N(=O)=O	0.85	1.0
Compound_13	BrCc1ccc(cc1)N(=O)=O	0.79	1.0
Compound_14	O=N(=O)c1ccc(cc1)Cc1ccncc1	0.57	1.0
Compound_15	ClCc1ccc(cc1)N(=O)=O	0.68	1.0
Compound_16	Sc1ccc(cc1)N(=O)=O	0.86	1.0
Compound_17	O=N(=O)c1ccc(cc1)SSc1ccc(cc1)N(=O)=O	0.85	1.0
Compound_18	O=N(=O)c1ccc2c(c1)cn[nH]2	0.54	1.0
Compound_19	O=N(=O)c1ccc2c(c1)nn[nH]2	0.55	1.0
Compound_20	O=N(=O)c1cccc(c1)S(=O)(=O)Cl	0.61	1.0
Compound_21	O=Cc1cccc(c1)N(=O)=O	0.85	1.0
Compound_22	Clc1cccc(c1)N(=O)=O	0.52	1.0
Compound_23	O=N(=O)c1cccc(c1)SSc1cccc(c1)N(=O)=O	0.85	1.0
Compound_24	O=N(=O)c1ccccc1	0.89	1.0
Compound_25	O=N(=O)c1cccs1	0.78	1.0
Compound_26	O=N(=O)c1ncc[nH]1	0.66	1.0
Compound_27	OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O	0.63	1.0
Compound_28	OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O	0.63	1.0
Compound_29	CC(=O)c1ccc(cc1)N(=O)=O	0.88	1.0
Compound_30	CC(=O)c1cccc(c1)N(=O)=O	0.88	1.0
Compound_31	O=N(=O)c1ccccc1C(=O)C	0.75	1.0
Compound_32	OCc1cccc(c1N(=O)=O)C	0.63	1.0
Compound_33	OC(=O)c1ccc(c(c1)N(=O)=O)C	0.69	1.0
Compound_34	Clc1ccc(c(c1)N(=O)=O)C	0.41	0.0
Compound_35	Oc1ccc(c(c1)N(=O)=O)C	0.9	1.0
Compound_36	OC(=O)c1ccc(c(c1)C)N(=O)=O	0.69	1.0
Compound_37	Cc1cccc(c1)N(=O)=O	0.94	1.0
Compound_38	Cc1ccc(c(c1)C)N(=O)=O	0.79	1.0
Compound_39	Cc1ccc(cc1)N(=O)=O	0.94	1.0
Compound_40	Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)N(=O)=O	0.86	1.0
Compound_41	O=N(=O)c1cc(ccc1C)S(=O)(=O)O	0.73	1.0
Compound_42	O=N(=O)c1ccc(c(c1)Cl)C	0.41	0.0
Compound_43	O=N(=O)c1ccc(c(c1)O)C	0.9	1.0
Compound_44	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)C	0.73	1.0
Compound_45	O=N(=O)c1cccc(c1C)C	0.79	1.0
Compound_46	O=N(=O)c1c(C)cccc1C	0.79	1.0
Compound_47	O=N(=O)c1ccccc1C	0.8	1.0
Compound_48	OCCn1c(C)ncc1N(=O)=O	0.2	0.0
Compound_49	CCc1cccc(c1)N(=O)=O	0.84	1.0
Compound_50	CCc1ccc(cc1)N(=O)=O	0.84	1.0
Compound_51	CCc1ccccc1N(=O)=O	0.73	1.0
Compound_52	O=C1N(C)C(=O)c2c1cccc2N(=O)=O	0.3	0.0
Compound_53	COC(=O)c1ccc(cc1)N(=O)=O	0.78	1.0
Compound_54	COC(=O)c1cc(ccc1C(=O)OC)N(=O)=O	0.72	1.0
Compound_55	COC(=O)c1cccc(c1)N(=O)=O	0.78	1.0
Compound_56	COc1ccc(c(c1)N(=O)=O)Br	0.85	1.0
Compound_57	COc1cccc(c1)N(=O)=O	0.86	1.0
Compound_58	COc1cccc(c1Br)N(=O)=O	0.85	1.0
Compound_59	NC(=O)c1ccc(cc1)N(=O)=O	0.76	1.0
Compound_60	Nc1ccc(c(n1)N(=O)=O)N	0.35	0.0
Compound_61	OC(=O)c1cccc(c1C(=O)O)N(=O)=O	0.66	1.0
Compound_62	OC(=O)c1cc(ccc1C(=O)O)N(=O)=O	0.61	1.0
Compound_63	Clc1ccc(c(c1)N(=O)=O)C(=O)O	0.51	1.0
Compound_64	OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)N(=O)=O)ccc1N(=O)=O	0.67	1.0
Compound_65	OC(=O)c1ccc(cc1Cl)N(=O)=O	0.48	0.0
Compound_66	OC(=O)c1ccc(cc1)N(=O)=O	0.73	1.0
Compound_67	OC(=O)c1cccc(c1)N(=O)=O	0.73	1.0
Compound_68	O=N(=O)c1ccccc1C(=O)O	0.69	1.0
Compound_69	Oc1cccc(c1)N(=O)=O	0.92	1.0
Compound_70	OCC(C(c1ccc(cc1)N(=O)=O)O)O	0.4	0.0
Compound_71	OCc1ccc(cc1)N(=O)=O	0.79	1.0
Compound_72	OCc1ccccc1N(=O)=O	0.65	1.0
Compound_73	OCCc1ccc(cc1)N(=O)=O	0.53	1.0
Compound_74	O=N(=O)c1cccc(c1)S(=O)(=O)O	0.75	1.0
Compound_75	CCCCCCCCCC[n+]1ccc(cc1)C(=O)NCCCCCCNC(=O)c1cc[n+](cc1)CCCCCCCCCC	0.06	0.0
Compound_76	CCCCCCCCCCCCCCCC[n+]1ccccc1	0.08	0.0
Compound_77	CCCCCCCCCCCCCCCC[n+]1ccccc1	0.08	0.0
Compound_78	CCCCCCCCCCCCCCCC[n+]1ccccc1	0.08	0.0
Compound_79	OCCN(c1nc(Nc2ccc(cc2)C=Cc2cc[n+](cc2)C)nc(n1)Nc1ccc(cc1)C=Cc1cc[n+](cc1)C)CCO	0.01	0.0
Compound_80	c1ccc(cc1)CC[n+]1ccccc1	0.21	0.0
Compound_81	C1CCN(CC1)c1cc[n+](cc1)Cc1ccccc1	0.04	0.0
Compound_82	c1ccc(cc1)C[n+]1ccccc1	0.29	0.0
Compound_83	C=CC[n+]1ccccc1	0.33	0.0
Compound_84	Cc1ccc[n+](c1)Cc1ccccc1	0.25	0.0
Compound_85	Cc1cc[n+](cc1)Cc1ccccc1	0.25	0.0
Compound_86	Cc1cccc[n+]1Cc1ccccc1	0.27	0.0
Compound_87	CCc1cc[n+](cc1)Cc1ccccc1	0.28	0.0
Compound_88	CCCCCCCCCCCC[n+]1ccccc1	0.08	0.0
Compound_89	CCCCCCCCCCCC[n+]1ccccc1	0.08	0.0
Compound_90	OCC[n+]1ccc(cc1)C=Cc1ccc(cc1)N(Cc1ccccc1)CC	0.02	0.0
Compound_91	OCC[n+]1ccc(cc1)C=Cc1ccc(cc1)N(Cc1ccccc1)CC	0.02	0.0
Compound_92	N#CC(=Cc1ccc(cc1)N(C)C)C(=O)OCC[n+]1ccccc1	0.03	0.0
Compound_93	NNC(=O)C[n+]1ccccc1	0.17	0.0
Compound_94	CC[n+]1c(cccc1C)CC=Nc1ccc(cn1)Br	0.12	0.0
Compound_95	OC1C(O)C(OC1[n+]1cccc(c1)C(=O)N)COP(=O)(OP(=O)(OCC1OC(C(C1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O	0.06	0.0
Compound_96	Sc1cccc[n+]1O	0.42	0.0
Compound_97	OC(=O)c1ccc[n+](c1)Cc1ccccc1	0.17	0.0
Compound_98	CC[n+]1ccc(cc1)c1cc[n+](cc1)CC	0.29	0.0
Compound_99	O=n1ccccc1SSc1ccccn1=O	0.52	1.0
Compound_100	C=Cc1ccn(=O)cc1	0.67	1.0
Compound_101	[O-]C(=O)c1ccc[n+](c1)Cc1ccccc1	0.19	0.0
Compound_102	[O-]C(=O)CC[n+]1ccccc1	0.12	0.0
Compound_103	[O-]S(=O)(=O)c1ccc[n+](c1)Cc1ccccc1	0.36	0.0
Compound_104	[O-]S(=O)(=O)CCC[n+]1ccccc1	0.22	0.0
Compound_105	C=Cc1cccc[n+]1CCCS(=O)(=O)[O-]	0.28	0.0
Compound_106	OC1=NC(=O)C(=C(C1)C)[n+]1cccc(c1)N=Nc1ccc(cc1)CCc1ccc(cc1)N=Nc1ccc[n+](c1)C1=C(C)CC(=NC1=O)O	0.05	0.0
Compound_107	Oc1cc(C)c(c(n1)[O-])[n+]1ccccc1	0.38	0.0
Compound_108	[O-]C(=O)C[n+]1cccc(c1C)C	0.22	0.0
Compound_109	CCCCCCCCCCCCCCCCCC(=NC[n+]1ccccc1)[O-]	0.21	0.0
Compound_110	CC1CC(=NC(=O)C1[n+]1cccc(c1)C)[O-]	0.11	0.0
Compound_111	CN(C(=O)[n+]1ccc(cc1)CCS(=O)(=O)[O-])C	0.36	0.0
Compound_112	CN(CCCn1c([O-])cc(c(c1=O)[n+]1ccccc1)C)C	0.08	0.0
Compound_113	C[n+]1ccc(cc1)C=NN(c1ccccc1)C	0.28	0.0
Compound_114	COc1ccc(cc1)N(N=Cc1cc[n+](cc1)C)C	0.3	0.0
Compound_115	OC1C(COP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)O)[O-])OC(C1O)[n+]1cccc(c1)C(=O)N	0.05	0.0
Compound_116	OC(C[n+]1ccccc1)CS(=O)(=O)[O-]	0.24	0.0
Compound_117	O=N(=O)c1ccc(cc1)OP(=O)(O)O	0.72	1.0
Compound_118	O=N(=O)c1ccc(cc1)OP(=O)(O)O	0.72	1.0
Compound_119	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)N(=O)=O)C(F)(F)F	0.76	1.0
Compound_120	Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_121	Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_122	Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_123	Oc1ccc(c(c1)C)N(=O)=O	0.99	1.0
Compound_124	CCC(c1cc(ccc1Oc1ccc(cc1C(=O)Cl)N(=O)=O)C(CC)(C)C)(C)C	0.78	1.0
Compound_125	CCOC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F)C	0.82	1.0
Compound_126	CCOc1ccc(cc1)N(=O)=O	0.88	1.0
Compound_127	CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC	0.95	1.0
Compound_128	COc1ccc(cc1)N(=O)=O	0.98	1.0
Compound_129	COc1ccc2c(c1)c(OCCOc1ccc(cc1)N(=O)=O)nn2Cc1cccc(c1)N(=O)=O	0.18	0.0
Compound_130	COP(=S)(Oc1ccc(c(c1)C)N(=O)=O)OC	0.99	1.0
Compound_131	COP(=S)(Oc1ccc(cc1)N(=O)=O)OC	0.99	1.0
Compound_132	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)N(=O)=O)C(F)(F)F	0.67	1.0
Compound_133	OC(=O)COC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.5	0.0
Compound_134	O=Cc1cc(ccc1O)N(=O)=O	0.82	1.0
Compound_135	O=N(=O)c1ccc(c(c1)Cl)O	0.85	1.0
Compound_136	N#CCCNc1cccc(c1)NC(=O)C	0.17	0.0
Compound_137	N#Cc1c(C)cc(nc1Cl)Cl	0.83	1.0
Compound_138	OCCCCOCCCNc1nc(N)cc(c1C#N)C	0.11	0.0
Compound_139	Cc1nccn1CCC#N	0.24	0.0
Compound_140	N#CCCn1cc(nc1CC)C	0.26	0.0
Compound_141	N#CNC(=NC)NCCSCc1[nH]cnc1C	0.06	0.0
Compound_142	N#CN=C1SCCN1Cc1ccc(nc1)Cl	0.16	0.0
Compound_143	N#Cc1ccnc(c1)Cl	0.86	1.0
Compound_144	N#CN=C(N(Cc1ccc(nc1)Cl)C)C	0.26	0.0
Compound_145	N#CN=C(NCCSCc1nc[nH]c1C)NC	0.06	0.0
Compound_146	COCCCNc1cc(C)c(c(n1)NCCCOC)C#N	0.1	0.0
Compound_147	N#Cc1ccncc1	0.81	1.0
Compound_148	N#Cc1cccnc1	0.82	1.0
Compound_149	N#Cc1ccccn1	0.8	1.0
Compound_150	c1nccnc1C#N	0.82	1.0
Compound_151	N#Cc1nc2c(o1)cccc2	0.74	1.0
Compound_152	N#CCCn1ccnc1c1ccccc1	0.18	0.0
Compound_153	N#CCCNc1ccccc1	0.32	0.0
Compound_154	N#CCCOCc1c(COCCC#N)nc(n1CCC#N)c1ccccc1	0.18	0.0
Compound_155	CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.38	0.0
Compound_156	CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.38	0.0
Compound_157	CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.38	0.0
Compound_158	CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.38	0.0
Compound_159	ClC1=C(CCCC1=CC=C1N(C)c2c(C1(C)C)cccc2)C=CC1=[N+](C)c2c(C1(C)C)cccc2	0.31	0.0
Compound_160	CC[N+](=C1C=CC(=C(c2cc(O)c(cc2S(=O)(=O)O)S(=O)(=O)O)c2ccc(cc2)N(CC)CC)C=C1)CC	0.37	0.0
Compound_161	CC[N+](=C1C=CC(=C(c2cc(O)c(cc2S(=O)(=O)O)S(=O)(=O)O)c2ccc(cc2)N(CC)CC)C=C1)CC	0.37	0.0
Compound_162	CC[N+](c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C)(C)C	0.21	0.0
Compound_163	C1=CC2C(C=C1)C1=NC3=NC(=Nc4[nH]c(N=C5N=C(N=C2N1)c1ccccc51)c1c4cccc1)c1c3cccc1	0.63	1.0
Compound_164	CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC	0.29	0.0
Compound_165	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccccc1)CC	0.2	0.0
Compound_166	CCNc1ccc(c2c1cccc2)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C	0.23	0.0
Compound_167	CCNc1ccc(c2c1cccc2)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccc(cc1)N(CC)CC	0.27	0.0
Compound_168	CCOc1ccc(cc1)Nc1ccc(c2c1cccc2)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccc(cc1)N(CC)CC	0.31	0.0
Compound_169	C[N+](=C1C=CC(=C(c2ccc(c3c2cccc3)N(c2ccccc2)C)c2ccc(cc2)N(C)C)C=C1)C	0.17	0.0
Compound_170	C[N+](=C1C=CC(=C(c2ccc(c3c2cccc3)Nc2ccccc2)c2ccc(cc2)N(C)C)C=C1)C	0.28	0.0
Compound_171	CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccccc1Cl)C	0.29	0.0
Compound_172	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C	0.17	0.0
Compound_173	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C	0.17	0.0
Compound_174	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C	0.17	0.0
Compound_175	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C	0.17	0.0
Compound_176	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C	0.17	0.0
Compound_177	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C	0.17	0.0
Compound_178	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C	0.17	0.0
Compound_179	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C	0.17	0.0
Compound_180	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C	0.17	0.0
Compound_181	CN1c2ccccc2C(C1=CC=CC1=[N+](C)c2c(C1(C)C)cccc2)(C)C	0.21	0.0
Compound_182	COC(=O)C1C2=C3N=C(C(C3CCC(=O)OCC=C(CCCC(CCCC(CCCC(C)C)C)C)C)C)C=c3[nH]c(=CC4=NC(=C(CC)C4=CO)C=C4N=C2C(=C4C)C1=O)c(c3C)C=C	0.18	0.0
Compound_183	COC(=O)C1C2=c3c(C1=O)c(c(=CC1=NC(=Cc4[nH]c(C=C5N=C2C(CCC(=O)OCC=C(CCCC(CCCC(CCCC(C)C)C)C)C)C5C)c(C)c4C=C)C(=C1CC)C)[nH]3)C	0.22	0.0
Compound_184	COC(=O)C1C2=c3c(C1=O)c(c(=CC1=NC(=Cc4[nH]c(C=C5N=C2C(CCC(=O)OCC=C(CCCC(CCCC(CCCC(C)C)C)C)C)C5C)c(C)c4C=C)C(=C1CC)C)[nH]3)C	0.22	0.0
Compound_185	CCN(C1=CC2Oc3cc(N(CC)CC)c(cc3C(=C2C=C1C)c1ccccc1C(=O)OC)C)CC	0.19	0.0
Compound_186	COCC(C(C(C(=O)NCCC(c1occ(n1)C=CCC1OC2(CC(C1C)O)OC(C(C2(C)C)OP(=O)(O)O)C(CC(C(C(C(C=C(C(=CC=CC(=CC#N)C)C)C)C)O)C)O)OC)C)O)O)N(C)C	0.08	0.0
Compound_187	C=CC1=C(C)C2=NC1=Cc1[nH]c(c(c1C)CCC(=O)O)C=c1[nH]c(=CC3=NC(=C2)C(=C3C)C=C)c(c1CCC(=O)O)C	0.22	0.0
Compound_188	CCCN1c2ccccc2C(C1=CC=CC=CC1=[N+](CCC)c2c(C1(C)C)cccc2)(C)C	0.1	0.0
Compound_189	CNC(=O)C1=NN(C(=O)C1=CC=C(N1CCCC1=O)C=Cc1c(nn(c1O)c1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)C(=O)NC)c1cc(ccc1S(=O)(=O)O)S(=O)(=O)O	0.22	0.0
Compound_190	CCOC(=O)C1=NN(C(=O)C1C=CC=CC=C1C(=NN(C1=O)c1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)C(=O)OCC)c1cc(ccc1S(=O)(=O)O)S(=O)(=O)O	0.38	0.0
Compound_191	CC1=NN(C(=O)C1C=CC=CC=C1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)O)C)c1ccc(cc1)S(=O)(=O)O	0.34	0.0
Compound_192	OC(=O)C1=NN(C(=O)C1=CC=CC=Cc1c(nn(c1O)c1ccc(cc1)S(=O)(=O)O)C(=O)O)c1ccc(cc1)S(=O)(=O)O	0.33	0.0
Compound_193	OC(=O)C1=NN(C(=O)C1=CC=Cc1c(nn(c1O)c1ccc(cc1)S(=O)(=O)O)C(=O)O)c1ccc(cc1)S(=O)(=O)O	0.33	0.0
Compound_194	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccc(c(c1)CS(=O)(=O)O)CS(=O)(=O)O)CC	0.34	0.0
Compound_195	CCC1=C(C)C2=Cc3[nH]c(c(c3C=C)C)C=C3N=C(C(=c4[nH]c(=CC1=N2)c(C)c4C(=O)O)CC(=O)O)C(CCC(=O)O)C3C	0.2	0.0
Compound_196	O=C(C1(CC=C(C=C1)c1ccccc1)N=NC1(CC=C(C=C1)c1ccccc1)C(=O)Nc1cccc2c1c(OS(=O)(=O)O)c1ccccc1c2OS(=O)(=O)O)Nc1cccc2c1c(OS(=O)(=O)O)c1ccccc1c2OS(=O)(=O)O	0.44	0.0
Compound_197	Cc1cc(cc(c1N)S(=O)(=O)O)C(=C1C=CC(=N)C(=C1)S(=O)(=O)O)c1ccc(c(c1)S(=O)(=O)O)N	0.65	1.0
Compound_198	CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.38	0.0
Compound_199	CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.39	0.0
Compound_200	CCN(c1ccc2c(c1)n(c1ccc(c(c1)S(=O)(=O)O)OC)c1c(n2)ccc(=[N+]=C2C=CC(=CC2=S(=O)(O)O)N=c2nc(Cl)nc([nH]2)Cl)c1)Cc1cccc(c1)S(=O)(=O)O	0.31	0.0
Compound_201	CCN(c1ccc2c(c1)n(c1ccc(c(c1)S(=O)(=O)O)OC)c1c(n2)ccc(=[N+]=C2C=CC(=CC2=S(=O)(O)O)N=c2nc(Cl)nc([nH]2)OC)c1)Cc1cccc(c1)S(=O)(=O)O	0.29	0.0
Compound_202	CCN(c1ccc2c(c1)n(c1ccc(cc1)S(=O)(=O)O)c1c(n2)ccc(=[N+]=C2C=CC(=CC2=S(=O)(O)O)N=c2nc(Cl)nc([nH]2)Cl)c1)Cc1cccc(c1)S(=O)(=O)O	0.28	0.0
Compound_203	CCN(c1ccc2c(c1)n(c1ccc(cc1)S(=O)(=O)O)c1c(n2)ccc(=[N+]=C2C=CC(=CC2=S(=O)(O)O)N=c2nc(Cl)nc([nH]2)OC)c1)Cc1cccc(c1)S(=O)(=O)O	0.26	0.0
Compound_204	OS(=O)(=O)c1ccc(cc1)N=C1C=CC(=C(c2ccc(cc2)Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)Nc2ccc(cc2)S(=O)(=O)O)C=C1	0.71	1.0
Compound_205	OS(=O)(=O)c1cc(ccc1C(=C1C=CC(=[N+](Cc2ccccc2)Cc2ccccc2)C=C1)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)O	0.38	0.0
Compound_206	N=C1C=CC2=CC(=CC(=O)C2C1N=Nc1ccc(c(c1)Cl)Cl)S(=O)(=O)O	0.62	1.0
Compound_207	CCCC[N+](=C1C=CC(=C(c2ccc(cc2C)N(Cc2cccc(c2)S(=O)(=O)O)CCCC)c2ccc(cc2)Nc2ccc(cc2)OCC)C(=C1)C)Cc1cccc(c1)S(=O)(=O)O	0.24	0.0
Compound_208	CC[N+](=C1C=CC(=C(c2ccc(cc2C)N(C(S(=O)(=O)O)c2ccccc2)CC)c2ccc(cc2C)N(C(S(=O)(=O)O)c2ccccc2)CC)C=C1)CC	0.34	0.0
Compound_209	CC[N+](=C1C=CC(=C(c2ccc(cc2)N(C(S(=O)(=O)O)c2ccccc2)CC)c2ccc(cc2)N(C(S(=O)(=O)O)c2ccccc2)CC)C=C1)CC	0.37	0.0
Compound_210	CC[N+](=C1C=CC(=C(c2ccc(cc2C)N(CC)CC)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.38	0.0
Compound_211	CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)c2ccc(cc2)N(CC)CC)C=C1)CC	0.38	0.0
Compound_212	CC[N+](=C1C=CC(=C(c2cc(cc3c2ccc(c3)S(=O)(=O)O)S(=O)(=O)O)c2ccc(cc2)N(CC)CC)C=C1)CC	0.39	0.0
Compound_213	CC[N+](=C1C=CC(=C(c2ccc(cc2C)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)c2ccc(cc2)N(CC)CC)C(=C1)C)Cc1cccc(c1)S(=O)(=O)O	0.36	0.0
Compound_214	CC[N+](=C1C=CC(=C(c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)c2ccc(cc2)N(CC)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.39	0.0
Compound_215	CC[N+](=C1C=CC(=C(c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)c2ccc(cc2)N(C)C)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.37	0.0
Compound_216	CCN=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)c2ccc(c(c2)C)NCC)C=C1C	0.4	0.0
Compound_217	CCOc1ccc(cc1)Nc1ccc(cc1)C(=C1C=CC(=[N+](Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)c1ccc(cc1)N(Cc1cccc(c1)S(=O)(=O)O)CC	0.4	0.0
Compound_218	CCOc1ccc(cc1)Nc1ccc(cc1)C(=C1C=CC(=[N+](Cc2cccc(c2)S(=O)(=O)O)CC)C=C1C)c1ccc(cc1C)N(Cc1cccc(c1)S(=O)(=O)O)CC	0.36	0.0
Compound_219	CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C	0.48	0.0
Compound_220	C[N+](=C1C=CC(=C(c2ccc(c(c2)CS(=O)(=O)O)CS(=O)(=O)O)c2ccc(cc2)N(C)C)C=C1)C	0.38	0.0
Compound_221	Clc1cc(N=NC2CC=C3C(=CC=CC3=O)C2=O)c(c(c1)S(=O)(=O)O)O	0.56	1.0
Compound_222	Clc1cc(N=NC2CC=C3C(=CC=CC3=O)C2=O)c(c(c1)S(=O)(=O)O)O	0.56	1.0
Compound_223	O=C1C(CC=C2C1=CC=CC2=O)N=Nc1cc(cc(c1O)N(=O)=O)S(=O)(=O)O	0.64	1.0
Compound_224	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](Cc2ccccc2)CC)C=C1)c1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)O)Cc1ccccc1	0.36	0.0
Compound_225	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC	0.29	0.0
Compound_226	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC	0.29	0.0
Compound_227	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC	0.29	0.0
Compound_228	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC	0.29	0.0
Compound_229	CN1c2ccccc2C(C1=CC=CC1=[N+](C)c2c(C1(C)C)cccc2)(C)C	0.21	0.0
Compound_230	CCNc1ccc(c2c1cccc2)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccc(cc1)N(CC)CC	0.27	0.0
Compound_231	O=C(Nc1ccc(cc1)O)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C	0.42	0.0
Compound_232	C[N+](=C1C=CC(=C(c2ccc(c3c2cccc3)Nc2ccccc2)c2ccc(cc2)N(C)C)C=C1)C	0.28	0.0
Compound_233	CN1c2ccccc2C(C1=CC=CC1=[N+](C)c2c(C1(C)C)cccc2)(C)C	0.21	0.0
Compound_234	CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C	0.29	0.0
Compound_235	CC(CCCCCOC1=CC(=O)C(=c2nc([nH]c(n2)c2ccc(cc2C)C)c2ccc(cc2C)C)C=C1)C	0.22	0.0
Compound_236	CCN=C1C=CC(=C(c2ccc(c(c2)C)NCC)c2ccc(c(c2)C)NCC)C=C1C	0.54	1.0
Compound_237	CC[n+]1c(C=C2C=C(C=c3sc4c(n3CCCS(=O)(=O)[O-])cccc4)CC(C2)(C)C)sc2c1cccc2	0.22	0.0
Compound_238	NCC(=O)N=C1C=CC(C(C1=NC(=O)O)C)(NC(=O)O)c1cccc(c1)C1=CC=CC(=NC(=O)CN)C1C	0.09	0.0
Compound_239	C=CC1=C(C)C(=NC1=O)Cc1[nH]c(c(c1C)CCC(=O)O)Cc1[nH]c(c(c1CCC(=O)O)C)CC1=NC(=O)C(=C1C=C)C	0.12	0.0
Compound_240	COc1ccc2c(c1)n(CC)c(=CC1=CC(=Cc3sc4c([n+]3CC)cccc4)CC(C1)(C)C)s2	0.33	0.0
Compound_241	ClC1=C(CCCC1=CC=C1N(C)c2c(C1(C)C)c1ccccc1cc2)C=CC1=[N+](C)c2c(C1(C)C)c1ccccc1cc2	0.31	0.0
Compound_242	Clc1ccc(c(c1)N=NC1C(=N)C=CC2=CC(=CC(=O)C12)S(=O)(=O)O)S(=O)(=O)c1ccc(cc1)C	0.65	1.0
Compound_243	Cc1cccc(c1)N=C1C=CC(=C(c2ccc(cc2)Nc2cccc(c2)C)c2ccc(cc2)Nc2ccc(c(c2)C)S(=O)(=O)O)C=C1	0.69	1.0
Compound_244	Cc1cccc(c1)N=C1C=CC(=C(c2ccc(cc2)Nc2cccc(c2)C)c2ccc(cc2)Nc2cccc(c2)C)C=C1	0.8	1.0
Compound_245	CC1=NN(C(=O)C1=CC=CC=Cc1c(C)nn(c1O)c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O	0.36	0.0
Compound_246	CCCC1C(=CC(=CN1c1ccccc1)CC)CC	0.29	0.0
Compound_247	CC[N+](=C1C=CC(=C(c2ccc(cc2C)N(C(S(=O)(=O)O)c2ccccc2)CC)c2ccc(cc2C)N(C(S(=O)(=O)O)c2ccccc2)CC)C=C1)CC	0.34	0.0
Compound_248	CCN(S(=O)(=O)c1cc(N=NC2C(=N)C=CC3=CC(=CC(=O)C23)S(=O)(=O)O)ccc1C)c1ccccc1	0.41	0.0
Compound_249	CCN(c1ccc(cc1)C(=C1C=C(C)C(=O)C(=C1)C(=O)O)c1cc(C)c(c(c1)C(=O)O)O)CC	0.31	0.0
Compound_250	CCN(c1ccc2c(c1)oc1c(c2C2=CC(C(=O)O)C(=O)C=C2C(=O)[O-])ccc(=[N+](CC)CC)c1)CC	0.16	0.0
Compound_251	CCn1c(=CC=CC=C2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O)C)oc2c1cc(cc2)S(=O)(=O)O	0.24	0.0
Compound_252	N=C1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1	0.82	1.0
Compound_253	N=C1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(c(c2)C)N)C=C1C	0.85	1.0
Compound_254	CCN=C1C=CC(=C(c2ccccc2Cl)c2ccc(c(c2)C)NCC)C=C1C	0.5	0.0
Compound_255	N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1	0.78	1.0
Compound_256	CN(c1ccc(cc1)C(=C1C=C(C)C(=O)C(=C1)C(=O)O)c1cc(C)c(c(c1)C(=O)O)O)C	0.3	0.0
Compound_257	CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1	0.24	0.0
Compound_258	COC1C=COC2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C)c(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C	0.0	0.0
Compound_259	COC(=O)c1ccc2c(c1)C(C)(C)C(=CC=C1C(=NN(C1=O)c1ccccc1)C)N2C	0.22	0.0
Compound_260	OC1=CC(=O)C(C=C1)N=Nc1ccccn1	0.24	0.0
Compound_261	O=C1C=CC(=CC1=O)SC1N=NNN1c1ccccc1	0.35	0.0
Compound_262	O=C1C2=C(C=C(C1N=Nc1ccccc1C(=O)O)S(=O)(=O)O)C=C(C(C2=O)N=Nc1ccccc1C(=O)O)S(=O)(=O)O	0.66	1.0
Compound_263	O=C1C2=C(C=C(C1N=Nc1cc(cc(c1O)S(=O)(=O)O)N(=O)=O)S(=O)(=O)O)C=C(C(C2=O)N=Nc1cc(cc(c1O)S(=O)(=O)O)N(=O)=O)S(=O)(=O)O	0.75	1.0
Compound_264	O=C1C(CC=C2C1=CC=CC2=O)N=Nc1cc(ccc1O)S(=O)(=O)O	0.58	1.0
Compound_265	O=C1C=CC=CC1C=Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.69	1.0
Compound_266	N=C1C=CC2=CC(=CC(=O)C2C1N=Nc1ccccc1S(=O)(=O)c1ccccc1)S(=O)(=O)O	0.71	1.0
Compound_267	NC(=N)NC(=N)Nc1ccccc1C	0.42	0.0
Compound_268	CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C	0.57	1.0
Compound_269	ClC1=CC(=Nc2ccc(cc2)O)C=C(C1=O)Cl	0.55	1.0
Compound_270	COCN(c1c(CC)cccc1CC)C(=O)CCl	0.98	1.0
Compound_271	CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl	0.92	1.0
Compound_272	CCOCN(c1c(C)cccc1CC)C(=O)CCl	0.96	1.0
Compound_273	COCC(N(c1c(C)csc1C)C(=O)CCl)C	0.74	1.0
Compound_274	ClC1C(=N)C=NN(C1=O)c1ccccc1	0.29	0.0
Compound_275	OCC(C(c1ccc(cc1)N(=O)=O)O)NC(=O)C(Cl)Cl	0.33	0.0
Compound_276	O=C1C=CC(=O)N1c1ccc(cc1)S(=O)(=O)N=N#N	0.21	0.0
Compound_277	O=C(c1cccc(c1)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O	0.21	0.0
Compound_278	O=C1C=CC(=O)N1c1cccc(c1)N1C(=O)C=CC1=O	0.26	0.0
Compound_279	O=C1C=CC(=O)N1c1ccccc1	0.35	0.0
Compound_280	CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl	0.36	0.0
Compound_281	NC(c1ccccc1)C(=O)Cl	0.61	1.0
Compound_282	O=C=NC(c1cccc(c1)C(=C)C)(C)C	0.57	1.0
Compound_283	BrC(C(C)(C)C)C(=NC(c1ccccc1)(C)C)O	0.66	1.0
Compound_284	O=C=NC(c1cccc(c1)C(N=C=O)(C)C)(C)C	0.52	1.0
Compound_285	CC(C1(C)N=C(NC1=O)c1ncccc1C(=O)O)C	0.17	0.0
Compound_286	CC(CC(N=C1C=CC(=Nc2ccccc2)C=C1)C)C	0.47	0.0
Compound_287	OC(=O)c1ccc(cc1)C1=N(=O)C(C(N1O)(C)C)(C)C	0.32	0.0
Compound_288	CCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.14	0.0
Compound_289	O=CC(NC(C(=O)N=C(C(N=C(NC(C(=O)O)Cc1ccccc1)O)CCCNC(=N)N)O)C(C)C)CCCNC(=N)N	0.05	0.0
Compound_290	COCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.14	0.0
Compound_291	OC(=O)C1CSC(=N1)c1nc2c(s1)cc(cc2)O	0.21	0.0
Compound_292	CCc1ccc(c(c1N)CC)Cl	0.62	1.0
Compound_293	c1ccc(cc1)CN1CCC[N+]2=C1CCCCC2	0.03	0.0
Compound_294	OC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2	0.11	0.0
Compound_295	CCCCC(CN(C(=O)c1ccccc1C(=O)O)C)CC	0.39	0.0
Compound_296	OOC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2	0.18	0.0
Compound_297	OCC1OC(Oc2ccc(cc2)N(=O)=O)C(C(C1O)O)NC(=O)C	0.23	0.0
Compound_298	N#CC(=Cc1ccc(cc1C)N(CCOc1ccc(cc1)C1CCCCC1)CC)C#N	0.25	0.0
Compound_299	CCN(c1ccc(c(c1)C)C=C(C#N)C#N)CCOc1ccccc1C1CCCCC1	0.25	0.0
Compound_300	COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2	0.0	0.0
Compound_301	CNC1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl	0.69	1.0
Compound_302	Clc1ccc2c(c1)C(=O)c1c(C2=O)ccc2c1nc1ccc3c(c1n2)C(=O)c1c(C3=O)cccc1	0.4	0.0
Compound_303	Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O	0.63	1.0
Compound_304	CB1OC(C2N1CCC2)(c1ccccc1)c1ccccc1	0.32	0.0
Compound_305	CB1OC(C2N1CCC2)(c1ccccc1)c1ccccc1	0.32	0.0
Compound_306	O=C1c2ccccc2c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2N(=O)=O)c2c(C1=O)cccc2	0.87	1.0
Compound_307	O=C1c2cc(ccc2c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)c2c(C1=O)cc(cc2)N(=O)=O)N(=O)=O	0.85	1.0
Compound_308	BrCc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1	0.62	1.0
Compound_309	n1[nH]c2c(n1)cc(cc2)Cc1ccc2c(c1)nn[nH]2	0.62	1.0
Compound_310	c1ccc(cc1)c1ccc(cc1)C(n1ccnc1)c1ccccc1	0.24	0.0
Compound_311	N1CCN(CC1)C(c1ccccc1)c1ccccc1	0.05	0.0
Compound_312	CC(c1ccccc1)c1ccc(cc1)Nc1ccc(cc1)C(c1ccccc1)C	0.95	1.0
Compound_313	Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1	0.64	1.0
Compound_314	CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)CO)Cl	0.26	0.0
Compound_315	CCCCCCCCc1ccc(cc1)N(C1(OC(=O)c2c1cccc2)c1ccc(cc1)N(C)C)c1ccc(cc1)CCCCCCCC	0.25	0.0
Compound_316	Clc1cc(c(cc1c1nc2c([nH]1)c1C(=O)c3ccccc3C(=O)c1cc2)Cl)c1nc2c([nH]1)c1C(=O)c3ccccc3C(=O)c1cc2	0.24	0.0
Compound_317	O=C1c2ccccc2c2c3c1ccc1c3c(c(c2)N)c2c3c1ccc1c3c(cc2)c2c(C1=O)cccc2	0.81	1.0
Compound_318	Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.79	1.0
Compound_319	Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N	0.68	1.0
Compound_320	Nc1ccc2c(c1)Cc1c2ccc(c1)N	0.79	1.0
Compound_321	O=C=NC(c1ccccc1)(c1ccccc1)N=C=O	0.43	0.0
Compound_322	O=C1c2ccccc2C(c2c1cccc2)C1c2ccccc2C(=O)c2c1cccc2	0.92	1.0
Compound_323	O=C1c2ccccc2c2c3c1cccc3ccc2	0.94	1.0
Compound_324	O=C1c2ccccc2c2c3c1ccc1c3c(cc2)C(=O)c2c1cccc2	0.9	1.0
Compound_325	O=C1c2ccccc2c2c1cccc2	0.93	1.0
Compound_326	O=C1c2ccccc2c2c3c1ccc1c3c3c(c2)ccc2c3c(c1)c1ccccc1C2=O	0.9	1.0
Compound_327	O=C1c2ccccc2CCc2c1cccc2	0.94	1.0
Compound_328	O=C1NC(=O)NC1(c1ccccc1)c1ccccc1	0.21	0.0
Compound_329	OC(=O)C(c1ccccc1)c1ccccc1	0.73	1.0
Compound_330	Oc1ccc(cc1)C(=O)c1ccccc1C(=O)O	0.77	1.0
Compound_331	O=C(c1ccccc1C(=O)O)c1ccccc1	0.54	1.0
Compound_332	O=C(c1ccc(c(c1)C(=O)O)C(=O)O)c1ccc(c(c1)C(=O)O)C(=O)O	0.67	1.0
Compound_333	OC(c1ccccc1)(c1ccccc1)c1ccccc1	0.82	1.0
Compound_334	OC(c1ccccc1)c1ccccc1	0.71	1.0
Compound_335	Oc1ccc(cc1)C(=O)c1ccccc1	0.97	1.0
Compound_336	Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O	0.95	1.0
Compound_337	Oc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.96	1.0
Compound_338	O=C1c2cc(ccc2C(=O)c2c1cccc2)S(=O)(=O)O	0.62	1.0
Compound_339	O=C(c1ccc(cc1)F)c1ccc(cc1)F	0.55	1.0
Compound_340	C1CC2OC2CC1C1OCC2(CO1)CCC1C(C2)O1	0.68	1.0
Compound_341	CC1CCC(CC1)(O)C(C)C	0.09	0.0
Compound_342	CC(C12CCC(C2C1)(C)O)C	0.26	0.0
Compound_343	CCC(CCC(C)C)(O)C	0.59	1.0
Compound_344	CCC(CCC(OC(=O)C)(CC)C)C	0.8	1.0
Compound_345	OC(=O)C(Cc1ccc(cc1)O)N	0.01	0.0
Compound_346	OC(=O)C(Cc1ccc(cc1)O)N	0.01	0.0
Compound_347	BrC(C(C(=O)c1ccccc1)Br)c1ccccc1	0.63	1.0
Compound_348	O=C(c1ccccc1)CC(=O)C	0.78	1.0
Compound_349	O=C(c1ccccc1)CC(=O)C	0.78	1.0
Compound_350	CC(=O)CCc1ccc(cc1)O	0.95	1.0
Compound_351	CC(=O)CCc1ccccc1	0.76	1.0
Compound_352	CC(=O)CCc1ccc2c(c1)OCO2	0.8	1.0
Compound_353	OC(=O)C(Cc1ccc(cc1)O)NC(=O)C	0.17	0.0
Compound_354	O=C(C(C)(C)C)CCc1ccc(cc1)Cl	0.78	1.0
Compound_355	O=CC(Cc1ccccc1)(C)C	0.97	1.0
Compound_356	O=CC(Cc1ccc(cc1)CC(C)C)C	0.86	1.0
Compound_357	O=CC(Cc1ccc(cc1)C)C	0.91	1.0
Compound_358	O=CC(Cc1ccc2c(c1)OCO2)C	0.68	1.0
Compound_359	O=CCCc1ccc(cc1)C	0.88	1.0
Compound_360	O=C(CC(=O)c1ccccc1)Oc1ccc(cc1)C	0.6	1.0
Compound_361	Cc1ccc2c(c1)C(=O)C(C2)C	0.9	1.0
Compound_362	CCc1ccc(cc1)CC(C=O)(C)C	0.97	1.0
Compound_363	O=CC(Cc1ccccc1CC)(C)C	0.74	1.0
Compound_364	CCOC(=O)C(=O)CCc1ccccc1	0.74	1.0
Compound_365	CCOC(=O)C1OC1c1ccc(cc1)C	0.57	1.0
Compound_366	CCOC(=O)C1OC1c1ccccc1	0.63	1.0
Compound_367	CCOC(=O)CC(=O)c1ccc(cc1)OC	0.67	1.0
Compound_368	CCOC(=O)CC(=O)c1ccccc1	0.66	1.0
Compound_369	CCOC(=O)CC(c1ccccc1)O	0.74	1.0
Compound_370	CCOC(=O)CCc1ccccc1	0.89	1.0
Compound_371	COC(=O)C(Cc1ccc(cc1)O)N	0.12	0.0
Compound_372	COC(=O)C(Cc1ccc(cc1)O)N	0.12	0.0
Compound_373	Clc1ccc2c(c1)CCC2=O	0.84	1.0
Compound_374	COC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1	0.14	0.0
Compound_375	COC(=O)C1OC1c1ccccc1	0.57	1.0
Compound_376	COc1cc(CCC(=O)C)ccc1O	0.78	1.0
Compound_377	COc1ccc(cc1)CC(C=O)C	0.8	1.0
Compound_378	COc1ccc(cc1)CCC(=O)C	0.68	1.0
Compound_379	OC(=O)C(Cc1ccc(c(c1)O)O)N	0.03	0.0
Compound_380	NC(C(=O)O)Cc1ccccc1	0.0	0.0
Compound_381	NC(C(=O)O)Cc1ccccc1	0.0	0.0
Compound_382	OC(=O)C(Cc1ccc(c(c1)O)O)N	0.03	0.0
Compound_383	NC(C(=O)O)Cc1ccc(cc1)F	0.05	0.0
Compound_384	CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)C	0.21	0.0
Compound_385	O=C(c1ccccc1)CC(=O)c1ccccc1	0.73	1.0
Compound_386	O=C1CC(=NN1c1ccccc1)c1ccccc1	0.27	0.0
Compound_387	O=C1CCc2c(O1)cccc2	0.74	1.0
Compound_388	O=CC1Cc2c(C1)cccc2	0.93	1.0
Compound_389	O=CCCc1ccccc1	0.85	1.0
Compound_390	O=C(C(=O)O)Cc1ccccc1	0.51	1.0
Compound_391	OC(=O)C1C=Nc2c(C1=O)ccc(c2)Cl	0.35	0.0
Compound_392	OC(=O)CC(c1ccccc1)SSC(c1ccccc1)CC(=O)O	0.51	1.0
Compound_393	OC(=O)CCc1ccccc1	0.34	0.0
Compound_394	O=C1c2ccccc2C(=O)C1(O)O	0.43	0.0
Compound_395	O=C1CC(=O)C(=O)c2c1cccc2	0.61	1.0
Compound_396	O=C1CC(=O)c2c(O1)cccc2	0.54	1.0
Compound_397	C1COC(C1)CCCc1ccccc1	0.83	1.0
Compound_398	CCCCCCc1ccc(cc1)Br	0.84	1.0
Compound_399	CCCCCCc1ccccc1	0.74	1.0
Compound_400	CCCCCCCc1ccc(cc1)Br	0.84	1.0
Compound_401	CCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCC	0.6	1.0
Compound_402	CCCCCCCc1ccc(cc1)Nc1ccccc1	0.63	1.0
Compound_403	CCCCCCCc1ccccc1	0.74	1.0
Compound_404	ClCC(C[N+](C)(C)C)O	0.16	0.0
Compound_405	ClCC[N+](C)(C)C	0.45	0.0
Compound_406	ClCC(CS(=O)(=O)O)O	0.36	0.0
Compound_407	ClCC(CS(=O)(=O)O)O	0.36	0.0
Compound_408	ClCCC[Si](O[Si](CCCCl)(C)C)(C)C	0.74	1.0
Compound_409	ClCCC[Si](Cl)(C)C	0.74	1.0
Compound_410	ClCCC[Si](Cl)(Cl)C	0.75	1.0
Compound_411	CC(=C)CCl	0.91	1.0
Compound_412	ClC(=O)C(C)(C)C	0.82	1.0
Compound_413	ClC(=O)CCC(C)(C)C	0.82	1.0
Compound_414	CC(Cl)(C)C	0.84	1.0
Compound_415	ClCC(C(=O)Cl)(C)C	0.82	1.0
Compound_416	CC(C(=O)Cl)C	0.86	1.0
Compound_417	ClCCC(C)C	0.79	1.0
Compound_418	ClCC(C)C	0.87	1.0
Compound_419	CC(Cl)C	0.89	1.0
Compound_420	ClC=C(CSC(=O)N(C(C)C)C(C)C)Cl	0.6	1.0
Compound_421	CC(CC(C)(C)C)CC(=O)Cl	0.77	1.0
Compound_422	ClCC(C[Si](Cl)(C)C)C	0.7	1.0
Compound_423	ClCC(C[Si](Cl)(Cl)C)C	0.75	1.0
Compound_424	CC([Si](Cl)(Cl)Cl)Cl	0.81	1.0
Compound_425	ClCC(Cl)C	0.93	1.0
Compound_426	CC(CO)Cl	0.82	1.0
Compound_427	CC(Cl)F	0.83	1.0
Compound_428	CC(CCl)O	0.68	1.0
Compound_429	ClCCOP(=O)(OC(P(=O)(OCCCl)OCCCl)C)CCCl	0.77	1.0
Compound_430	ClCCOP(=O)(OC(P(=O)(OC(P(=O)(OCCCl)OCCCl)C)OCCCl)C)CCCl	0.75	1.0
Compound_431	CC=CCCl	0.8	1.0
Compound_432	CCC(Cl)(C)C	0.86	1.0
Compound_433	CCC(Cl)C	0.91	1.0
Compound_434	CCC(=O)Cl	0.87	1.0
Compound_435	CCCC(=O)Cl	0.89	1.0
Compound_436	CCCCC(C(=O)Cl)CC	0.88	1.0
Compound_437	CCCCC(CCl)CC	0.96	1.0
Compound_438	CCCCC(=O)Cl	0.9	1.0
Compound_439	CCCCCCCl	0.98	1.0
Compound_440	CCCCCl	0.87	1.0
Compound_441	CCCCl	0.94	1.0
Compound_442	CCCl	0.94	1.0
Compound_443	CCCl	0.94	1.0
Compound_444	ClCCC[Si](OCC)(OCC)OCC	0.75	1.0
Compound_445	ClCCCN(C)C	0.4	0.0
Compound_446	NCCCl	0.61	1.0
Compound_447	ClC(=C)C(=C)Cl	0.99	1.0
Compound_448	C=CC(=C)Cl	0.99	1.0
Compound_449	ClC(=O)C1CC1	0.92	1.0
Compound_450	ClC(=O)CCC(=O)Cl	0.78	1.0
Compound_451	ClC(=O)CCCCC(=O)Cl	0.77	1.0
Compound_452	ClCC=CCl	0.89	1.0
Compound_453	ClCC=CCl	0.89	1.0
Compound_454	ClC1CCCC1	0.91	1.0
Compound_455	ClCC#Cc1ccccc1	0.89	1.0
Compound_456	ClCC(CCl)Cl	0.83	1.0
Compound_457	ClCC=C	0.88	1.0
Compound_458	ClCCBr	0.41	0.0
Compound_459	ClCCC(=O)Cl	0.9	1.0
Compound_460	ClCCC[Si](Cl)(Cl)Cl	0.8	1.0
Compound_461	ClCCCBr	0.41	0.0
Compound_462	ClCCCCC(=O)Cl	0.88	1.0
Compound_463	ClCCCCCCCl	0.81	1.0
Compound_464	ClCCCCCCl	0.81	1.0
Compound_465	ClCCCCCl	0.76	1.0
Compound_466	ClCCCCl	0.74	1.0
Compound_467	ClCCCl	0.74	1.0
Compound_468	ClCCCl	0.74	1.0
Compound_469	ClCCP(=O)(OCCCl)OCCCl	0.88	1.0
Compound_470	ClCCOP(=O)(OCCP(=O)(OCCCl)OCCCl)CCCl	0.8	1.0
Compound_471	ClCC(C[Si](OC)(OC)C)C	0.66	1.0
Compound_472	ClCCC[Si](OC)(OC)C	0.66	1.0
Compound_473	ClCCC[Si](O[Si](CCCCl)(OC)OC)(OC)OC	0.72	1.0
Compound_474	ClCCC[Si](OC)(OC)OC	0.65	1.0
Compound_475	ClCCCC(=O)O	0.32	0.0
Compound_476	OC(=O)CCCl	0.41	0.0
Compound_477	ClCC(CCl)O	0.68	1.0
Compound_478	OCC(=C)Cl	0.78	1.0
Compound_479	OCC(CCl)Cl	0.82	1.0
Compound_480	OCC(CCl)O	0.83	1.0
Compound_481	OCCCCl	0.77	1.0
Compound_482	OCCCl	0.77	1.0
Compound_483	ClCCP(=O)(O)O	0.63	1.0
Compound_484	OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl	0.94	1.0
Compound_485	O=C(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1	0.75	1.0
Compound_486	O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.88	1.0
Compound_487	O=C(C(C)(C)C)Cn1ncnc1	0.43	0.0
Compound_488	CC1CC(C(C(C1)C(C)(C)C)OC(=O)Cc1nc(nn1C(=O)C)c1ccc(cc1)C(C)(C)C)C(C)(C)C	0.35	0.0
Compound_489	CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1	0.76	1.0
Compound_490	CCCCC(c1nc2n(n1)C(=O)C(=C(C2=Nc1sc(nc1c1ccccc1)N(CCCC)CC)C)C#N)CC	0.09	0.0
Compound_491	CCCCC(c1nc2n(n1)C(=O)C(=C(C2=Nc1sc(nc1c1ccccc1)N(CCCC)CCCC)C)C#N)CC	0.09	0.0
Compound_492	CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N	0.23	0.0
Compound_493	CCn1ncn(c1=NN=C1C(=[N+](c2c1cccc2)CC)c1ccccc1)CC	0.15	0.0
Compound_494	Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl	0.76	1.0
Compound_495	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.31	0.0
Compound_496	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.31	0.0
Compound_497	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.31	0.0
Compound_498	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.31	0.0
Compound_499	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.31	0.0
Compound_500	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.31	0.0
Compound_501	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.31	0.0
Compound_502	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.31	0.0
Compound_503	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](O)(C)C)F	0.27	0.0
Compound_504	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](O)(C)C)F	0.27	0.0
Compound_505	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](O)(C)C)F	0.27	0.0
Compound_506	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](O)(C)C)F	0.27	0.0
Compound_507	CN(CCCS(=O)(=O)O)CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.29	0.0
Compound_508	OCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.25	0.0
Compound_509	OCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.25	0.0
Compound_510	OCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.25	0.0
Compound_511	O=C(C(F)(F)F)N([Si](C)(C)C)[Si](C)(C)C	0.66	1.0
Compound_512	FC(CC[Si](O[Si](C)(C)C)(CCC(F)(F)F)C)(F)F	0.73	1.0
Compound_513	C[Si](OC(=N[Si](C)(C)C)C(F)(F)F)(C)C	0.59	1.0
Compound_514	O=C(C(F)(F)F)O[Si](C)(C)C	0.51	1.0
Compound_515	FC(S(=O)(=O)O[Si](C)(C)C)(F)F	0.61	1.0
Compound_516	FC(CC[Si](N[Si](CCC(F)(F)F)(C)C)(C)C)(F)F	0.52	1.0
Compound_517	FC(C(C(C(F)(F)F)(F)F)(F)F)(CC[Si](Cl)(Cl)C)F	0.73	1.0
Compound_518	FC(CC[Si](Cl)(Cl)C)(F)F	0.73	1.0
Compound_519	FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(F)F	0.75	1.0
Compound_520	FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(F)F	0.75	1.0
Compound_521	FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O1)(C)CCC(F)(F)F)(F)F	0.73	1.0
Compound_522	O=C(C(F)(F)F)CC(=O)C	0.69	1.0
Compound_523	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C	0.35	0.0
Compound_524	C[Si](C(C)(C)C)(OS(=O)(=O)C(F)(F)F)C	0.6	1.0
Compound_525	CC(CC(F)(F)F)(F)F	0.65	1.0
Compound_526	CC(F)F	0.76	1.0
Compound_527	CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F	0.79	1.0
Compound_528	CCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.61	1.0
Compound_529	FC(c1nnc2n1CCNC2)(F)F	0.16	0.0
Compound_530	CN([Si](C)(C)C)C(=O)C(F)(F)F	0.62	1.0
Compound_531	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCCN(=O)(C)C)F	0.3	0.0
Compound_532	Nc1nc(OCC(F)(F)F)nc(n1)N(C)C	0.37	0.0
Compound_533	CN(CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.29	0.0
Compound_534	CN(CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.29	0.0
Compound_535	CN(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.29	0.0
Compound_536	CN(CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.29	0.0
Compound_537	CNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.7	1.0
Compound_538	CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.7	1.0
Compound_539	CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.7	1.0
Compound_540	CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.7	1.0
Compound_541	CO[Si](CCC(F)(F)F)(OC)C	0.69	1.0
Compound_542	CO[Si](CCC(F)(F)F)(OC)OC	0.7	1.0
Compound_543	COc1cccc(c1)C(F)(F)F	0.7	1.0
Compound_544	ICCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.86	1.0
Compound_545	Brc1ccccc1C(F)(F)F	0.69	1.0
Compound_546	Brc1cccc(c1)C(F)(F)F	0.79	1.0
Compound_547	FC(c1ccc(cc1)Br)(F)F	0.79	1.0
Compound_548	FC(c1ccc(cc1)C(F)(F)F)(F)F	0.72	1.0
Compound_549	O=Cc1ccc(cc1)C(F)(F)F	0.8	1.0
Compound_550	FC(c1ccc(cc1)Cl)(F)F	0.83	1.0
Compound_551	Clc1cccc(c1)C(F)(F)F	0.83	1.0
Compound_552	FC(c1ccccc1)(F)F	0.72	1.0
Compound_553	Clc1ccccc1C(F)(F)F	0.66	1.0
Compound_554	FC(CC[Si](Cl)(Cl)Cl)(F)F	0.76	1.0
Compound_555	FC(Oc1ccccc1)(F)F	0.79	1.0
Compound_556	NC(=O)c1ccccc1C(F)(F)F	0.64	1.0
Compound_557	NC(C(=O)O)CCC(F)(F)F	0.22	0.0
Compound_558	Nc1ccccc1C(F)(F)F	0.78	1.0
Compound_559	Oc1cccc(c1)C(F)(F)F	0.83	1.0
Compound_560	OCC(C(F)F)(F)F	0.86	1.0
Compound_561	OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_562	CC(CNCC(C)C)C	0.61	1.0
Compound_563	CCC12COC(N2C(OC1)C(C)C)C(C)C	0.48	0.0
Compound_564	CCCCC(C1OCCN1CCCC)CC	0.42	0.0
Compound_565	CCCCC(CN(CC(CCCC)CC)CC(CCCC)CC)CC	0.73	1.0
Compound_566	CCCCC(CN(Cn1cncn1)CC(CCCC)CC)CC	0.3	0.0
Compound_567	CCCCC(CN(Cn1nnc2c1cccc2C)CC(CCCC)CC)CC	0.17	0.0
Compound_568	CCCCC(CN(Cn1nnc2c1ccc(c2)C)CC(CCCC)CC)CC	0.17	0.0
Compound_569	CCCCC(CN(Cn1nnc2c1cccc2)CC(CCCC)CC)CC	0.17	0.0
Compound_570	CCCCC(CN1CN(CC(CCCC)CC)CC(C1)(C)N)CC	0.08	0.0
Compound_571	CCCCC(CNCC(CCCC)CC)CC	0.52	1.0
Compound_572	CCOC(=O)CC(C(=O)OCC)NCCCC(CNC(C(=O)OCC)CC(=O)OCC)C	0.18	0.0
Compound_573	C=Cc1ccccc1C[N+](C)(C)C	0.17	0.0
Compound_574	CCN(c1ccc(cc1)C=C(C(=O)OCC[N+](C)(C)C)C#N)Cc1ccccc1	0.14	0.0
Compound_575	CCOc1ccc(cc1)N(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cc(cc2)C(=O)OC)C	0.22	0.0
Compound_576	CN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.22	0.0
Compound_577	CN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.22	0.0
Compound_578	ClCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.06	0.0
Compound_579	CCOC(=O)C=Cc1ccccc1O	0.78	1.0
Compound_580	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO	0.21	0.0
Compound_581	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO	0.21	0.0
Compound_582	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO	0.21	0.0
Compound_583	C=Cc1ccc(cc1)S(=O)(=O)O	0.21	0.0
Compound_584	C=Cc1ccc(cc1)S(=O)(=O)O	0.21	0.0
Compound_585	C=Cc1ccc(cc1)S(=O)(=O)O	0.21	0.0
Compound_586	C=Cc1ccc(cc1)S(=O)(=O)O	0.21	0.0
Compound_587	ON=C1C(=O)C=Cc2c1cccc2	0.58	1.0
Compound_588	CC(CN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)O)nc(n2)N(CC(O)C)CC(O)C)nc(n1)Nc1ccc(cc1)S(=O)(=O)O)CC(O)C)O	0.23	0.0
Compound_589	ON=C1C(=O)C=Cc2c1ccc(c2)S(=O)(=O)O	0.46	0.0
Compound_590	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3cccc(c3)S(=O)(=O)O)nc(n2)N(CCO)CCO)nc(n1)Nc1cccc(c1)S(=O)(=O)O)CCO	0.21	0.0
Compound_591	OCCNc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)O)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(NCCO)nc(n1)Nc1cccc(c1)S(=O)(=O)O	0.36	0.0
Compound_592	OCCNc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)O)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(NCCO)nc(n1)Nc1cccc(c1)S(=O)(=O)O	0.36	0.0
Compound_593	OC(=O)CN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)O)nc(n2)N(CC(=O)O)CC(=O)O)nc(n1)Nc1ccc(cc1)S(=O)(=O)O)CC(=O)O	0.25	0.0
Compound_594	OC(=O)CC(C(=O)O)Nc1nc(nc(n1)Nc1ccccc1)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)NC(C(=O)O)CC(=O)O	0.31	0.0
Compound_595	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(nc(n1)N1CCOCC1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)Nc1nc(nc(n1)N1CCOCC1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O	0.24	0.0
Compound_596	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(nc(n1)Oc1ccccc1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)Nc1nc(nc(n1)Oc1ccccc1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O	0.42	0.0
Compound_597	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1)C=Cc1ccc(cc1S(=O)(=O)O)n1nc2c(n1)ccc1c2cc(cc1S(=O)(=O)O)S(=O)(=O)O)n1nc2c(n1)ccc1c2cc(cc1S(=O)(=O)O)S(=O)(=O)O	0.5	0.0
Compound_598	OS(=O)(=O)CCNc1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(NCCS(=O)(=O)O)nc(n2)NCCS(=O)(=O)O)nc(n1)NCCS(=O)(=O)O	0.38	0.0
Compound_599	CCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(nc(n2)N(CC)CC)Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)CC	0.4	0.0
Compound_600	NC(=O)CCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(nc(n2)N(Cc2ccccc2)CCC(=O)N)Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)Cc1ccccc1	0.23	0.0
Compound_601	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(nc(n2)N(CCC(=O)N)CCO)Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)CCC(=O)N	0.18	0.0
Compound_602	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(nc(n2)N(CCO)CCO)Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)CCO	0.26	0.0
Compound_603	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(n1)N1CCOCC1)Nc1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(n1)N1CCOCC1	0.22	0.0
Compound_604	Clc1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2ccc(cc2)S(=O)(=O)O)nc(n1)Nc1ccc(cc1)S(=O)(=O)O	0.42	0.0
Compound_605	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)Nc1ccc(cc1)S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)Nc1ccc(cc1)S(=O)(=O)O	0.4	0.0
Compound_606	CC(CN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)O)nc(n2)N(CC(O)C)CC(O)C)nc(n1)Nc1ccc(cc1)S(=O)(=O)O)CC(O)C)O	0.23	0.0
Compound_607	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)O)nc(n2)N(CCC(=O)N)CCO)nc(n1)Nc1ccc(cc1)S(=O)(=O)O)CCC(=O)N	0.18	0.0
Compound_608	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)O)nc(n2)N(CCC#N)CCO)nc(n1)Nc1ccc(cc1)S(=O)(=O)O)CCC#N	0.21	0.0
Compound_609	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)O)nc(n2)N(CCO)CCO)nc(n1)Nc1ccc(cc1)S(=O)(=O)O)CCO	0.21	0.0
Compound_610	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)O)nc(n2)N(CCO)CCO)nc(n1)Nc1ccc(cc1)S(=O)(=O)O)CCO	0.21	0.0
Compound_611	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(OC)nc(n2)NCCS(=O)(=O)O)nc(n1)OC)CCO	0.19	0.0
Compound_612	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.83	1.0
Compound_613	O=C1c2ccccc2C(=O)C1(S(=O)(=O)O)C1(C=Cc2c(N1)cccc2)S(=O)(=O)O	0.49	0.0
Compound_614	Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)Cl)Cl	0.59	1.0
Compound_615	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)n1ncc(n1)c1ccccc1)n1ncc(n1)c1ccccc1	0.46	0.0
Compound_616	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1)Nc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1	0.4	0.0
Compound_617	O=c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(=O)nc([nH]2)Nc2ccccc2)[nH]c(n1)Nc1ccccc1	0.36	0.0
Compound_618	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1	0.22	0.0
Compound_619	OS(=O)(=O)c1ccccc1C=Cc1ccc(cc1)c1ccc(cc1)C=Cc1ccccc1S(=O)(=O)O	0.49	0.0
Compound_620	Cc1ccccc1Nc1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(nc(n2)N2CCOCC2)Nc2ccccc2C)nc(n1)N1CCOCC1	0.2	0.0
Compound_621	CCNc1nc(nc(n1)Nc1ccccc1)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(NCC)nc(n1)Nc1ccccc1	0.44	0.0
Compound_622	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)C)nc(n1)Nc1ccccc1)C	0.2	0.0
Compound_623	CNc1nc(nc(n1)Nc1ccc(cc1)C(=O)NC)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(NC)nc(n1)Nc1ccc(cc1)C(=O)NC	0.31	0.0
Compound_624	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(OC)nc(n2)N(CCO)CCO)nc(n1)OC)CCO	0.2	0.0
Compound_625	COc1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(OC)nc(n2)Nc2ccccc2)nc(n1)Nc1ccccc1	0.41	0.0
Compound_626	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCC(=O)N)CCO)nc(n1)Nc1ccccc1)CCC(=O)N	0.18	0.0
Compound_627	Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.86	1.0
Compound_628	Nc1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(N)nc(n2)N)nc(n1)N	0.41	0.0
Compound_629	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)N)nc(n2)N(CCO)CCO)nc(n1)Nc1ccc(cc1)S(=O)(=O)N)CCO	0.19	0.0
Compound_630	OCCNc1nc(nc(n1)Nc1ccccc1)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(NCCO)nc(n1)Nc1ccccc1	0.36	0.0
Compound_631	OC(=O)C=Cc1ccccc1	0.86	1.0
Compound_632	OC(=O)C=Cc1ccccc1	0.86	1.0
Compound_633	OC(=O)C=Cc1ccccc1	0.86	1.0
Compound_634	N=[N+]=C1C=C(c2c(C1=O)cccc2)S(=O)(=O)O	0.57	1.0
Compound_635	O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O	0.42	0.0
Compound_636	O=C1c2cccc(c2C=CC1=[N+]=N)S(=O)(=O)O	0.6	1.0
Compound_637	CN(c1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)O)C)C	0.26	0.0
Compound_638	BrC(=Cc1ccccc1)N(=O)=O	0.68	1.0
Compound_639	O=N(=O)c1ccccc1C=C1Cc2c(C1=O)cccc2	0.75	1.0
Compound_640	SC(=C(c1ccccc1)S)c1ccccc1	0.83	1.0
Compound_641	BrC=Cc1ccccc1	0.95	1.0
Compound_642	c1ccc(cc1)C=Cc1ccccc1	0.78	1.0
Compound_643	c1ccc(cc1)C=Cc1ccccc1	0.78	1.0
Compound_644	c1ccc(cc1)C(=CC=C(c1ccccc1)c1ccccc1)c1ccccc1	0.76	1.0
Compound_645	c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1	0.01	0.0
Compound_646	C(CCN=CC=Cc1ccccc1)CCCN=CC=Cc1ccccc1	0.38	0.0
Compound_647	N(=CC=Cc1ccccc1)CCN=CC=Cc1ccccc1	0.39	0.0
Compound_648	CC=C(C(=O)OCC=Cc1ccccc1)C	0.76	1.0
Compound_649	C=Cc1cccc(c1)C=C	0.97	1.0
Compound_650	C=Cc1ccc(cc1)C=C	0.97	1.0
Compound_651	C=Cc1ccccc1	0.97	1.0
Compound_652	C=Cc1ccccc1	0.97	1.0
Compound_653	C=CCOC(=O)C=Cc1ccccc1	0.88	1.0
Compound_654	c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1	0.76	1.0
Compound_655	c1ccc2c(c1)C=CC2	0.97	1.0
Compound_656	c1ccc(cc1)N1c2ccc(cc2C2C1CCC2)C=C(c1ccccc1)c1ccccc1	0.38	0.0
Compound_657	C1CCC(=CC1)c1ccccc1	0.82	1.0
Compound_658	ClCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.06	0.0
Compound_659	ClCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.06	0.0
Compound_660	ClCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.06	0.0
Compound_661	CC(=C)c1ccccc1C(OOC(C)(C)C)(C)C	0.56	1.0
Compound_662	CC(=C)c1cccc(c1)C(=C)C	0.84	1.0
Compound_663	Cc1ccc(cc1)C(=C)C	0.84	1.0
Compound_664	O=C(C(O)(C)C)c1ccc(cc1)C(=C)C	0.65	1.0
Compound_665	CC(=C)c1cccc(c1)C(OOC(C)(C)C)(C)C	0.65	1.0
Compound_666	CC(=C)c1ccccc1	0.89	1.0
Compound_667	CC(=CC(c1ccccc1)(C)C)c1ccccc1	0.84	1.0
Compound_668	N#CC(=Cc1ccccc1)C	0.87	1.0
Compound_669	CC(=O)C=Cc1ccccc1	0.84	1.0
Compound_670	CC(=CCC(=O)C)c1ccccc1	0.74	1.0
Compound_671	CC(=COC(=O)C)c1ccccc1	0.75	1.0
Compound_672	CC(=COC(=O)C)c1ccccc1	0.75	1.0
Compound_673	C=C(c1ccccc1)OC(=O)C	0.81	1.0
Compound_674	CC(=O)OC=Cc1ccccc1	0.84	1.0
Compound_675	CC(=CCOC(=O)C)c1ccccc1	0.8	1.0
Compound_676	CC(=O)OCC=Cc1ccccc1	0.85	1.0
Compound_677	C=C(c1ccccc1)CCOC(=O)C	0.78	1.0
Compound_678	O=C(C(C)(C)C)C=Cc1ccc(cc1)Cl	0.77	1.0
Compound_679	O=C1Oc2c(C1=C1C(=O)Oc3c1cc(cc3C(C)(C)C)C(C)(C)C)cc(cc2C(C)(C)C)C(C)(C)C	0.44	0.0
Compound_680	N#CC(=C(c1ccccc1)c1ccccc1)C(=O)OCC(CO)(C)C	0.49	0.0
Compound_681	C=CC(OC(=O)C=Cc1ccccc1)(CCC=C(C)C)C	0.69	1.0
Compound_682	CC(C(=O)OCC=Cc1ccccc1)C	0.77	1.0
Compound_683	O=CC(=CC(C)C)c1ccccc1	0.84	1.0
Compound_684	O=CC=Cc1ccc(cc1)C(C)C	0.9	1.0
Compound_685	CC(C1=Cc2ccc(cc2OC21C=Cc1c(O2)cccc1)N(Cc1ccccc1)Cc1ccccc1)C	0.22	0.0
Compound_686	CC(C1=Cc2ccccc2OC21C=Cc1c(O2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)C	0.22	0.0
Compound_687	CC(CC(=O)OCC=Cc1ccccc1)C	0.75	1.0
Compound_688	O=CC(=CCC(C)C)c1ccccc1	0.81	1.0
Compound_689	CC(CCOC(=O)C=Cc1ccccc1)C	0.85	1.0
Compound_690	CC(COC(=O)C=Cc1ccccc1)C	0.76	1.0
Compound_691	CC(OC(=O)C=Cc1ccccc1)C	0.7	1.0
Compound_692	O=CC(=Cc1ccccc1)C	0.85	1.0
Compound_693	CC(C=Cc1ccccc1)O	0.7	1.0
Compound_694	CCC=CCCOC(=O)C=Cc1ccccc1	0.81	1.0
Compound_695	CC=C(c1ccccc1)C=O	0.85	1.0
Compound_696	CC=Cc1cc(ccc1C)C(C)C	0.85	1.0
Compound_697	ClC(=O)C1C(C1(C)C)C=C(c1ccc(cc1)Cl)Cl	0.8	1.0
Compound_698	O=C1C(=Cc2ccccc2)C2C(C1(C)CC2)(C)C	0.97	1.0
Compound_699	O=C1C(=Cc2ccccc2)C2C(C1(C)CC2)(C)C	0.97	1.0
Compound_700	Clc1cc(Cl)cc(c1)C(N1COC(=C(C1=O)c1ccccc1)C)(C)C	0.32	0.0
Compound_701	C=Cc1ccccc1C	0.92	1.0
Compound_702	Cc1ccccc1C=Cc1ccc(cc1)C=Cc1ccccc1C	0.83	1.0
Compound_703	CC1=CC(C)(C)Nc2c1cccc2	0.59	1.0
Compound_704	C=Cc1ccc(cc1)C	0.96	1.0
Compound_705	Cc1ccc(cc1)C1=C2C(=O)N=C(C2C(=O)N1)c1ccc(cc1)C	0.27	0.0
Compound_706	N#CC(=C1C=CC(=NOS(=O)(=O)c2ccc(cc2)C)S1)c1ccccc1C	0.58	1.0
Compound_707	Cc1ccc(cc1)C=C1C(=O)C2(C(C1CC2)(C)C)C	0.97	1.0
Compound_708	Cc1ccc(cc1)C=C1C(=O)C2(C(C1CC2)(C)C)C	0.97	1.0
Compound_709	OC(=O)C=Cc1ccc(cc1)C	0.79	1.0
Compound_710	Cc1ccc2c(c1)nc(o2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)ccc(c2)C	0.66	1.0
Compound_711	Cc1ccc2c(c1)nc(o2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.66	1.0
Compound_712	Cc1ccc2c(c1)nc(o2)C=Cc1ccc(cc1)c1oc2c(n1)cc(cc2)C	0.66	1.0
Compound_713	Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N1N=C(CC1=O)C	0.3	0.0
Compound_714	Cc1noc(n1)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.35	0.0
Compound_715	CCC(=O)OCC=Cc1ccccc1	0.81	1.0
Compound_716	CCC(COC(=O)C=Cc1ccccc1)C	0.84	1.0
Compound_717	CCC=C1OC(=O)c2c1cccc2	0.66	1.0
Compound_718	CCCC(=O)OCC=Cc1ccccc1	0.85	1.0
Compound_719	CCCC=C1OC(=O)c2c1cccc2	0.7	1.0
Compound_720	CCCCC(=Cc1ccccc1)C=O	0.65	1.0
Compound_721	CCCCC(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC	0.9	1.0
Compound_722	CCCCCC(=Cc1ccccc1)C(OC)OC	0.55	1.0
Compound_723	CCCCCC(=Cc1ccccc1)C(OCC)OCC	0.82	1.0
Compound_724	CCCCCC(=Cc1ccccc1)C=Nc1ccccc1C(=O)OC	0.48	0.0
Compound_725	CCCCCC(=Cc1ccc(cc1)C)C=O	0.62	1.0
Compound_726	CCCCCC(=Cc1ccccc1)C=O	0.72	1.0
Compound_727	CCCCCC(=Cc1ccccc1)CO	0.65	1.0
Compound_728	CCCCCCC(=Cc1ccccc1)C=Nc1ccccc1C(=O)OC	0.51	1.0
Compound_729	CCCCCCC(=Cc1ccccc1)C=O	0.74	1.0
Compound_730	CCCCCOC(=O)C=Cc1ccccc1	0.83	1.0
Compound_731	CCCN(c1nc(=S)[nH]c(=S)[nH]1)Cc1ccc(cc1)C=C	0.2	0.0
Compound_732	CCCOC(=O)C=Cc1ccccc1	0.84	1.0
Compound_733	CCCOC(=O)c1cc(OS(=O)(=O)c2cccc3c2C=CC(=N#N)C3=O)c(c(c1)OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O)OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O	0.6	1.0
Compound_734	CCCS(=O)(=O)ON=C1C=CC(=C(c2ccccc2C)C#N)S1	0.42	0.0
Compound_735	CCN(CCCNc1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(N)nc(n2)NCCCN(CC)CC)nc(n1)N)CC	0.2	0.0
Compound_736	CCOC(=O)C(=C(c1ccccc1)c1ccccc1)C#N	0.76	1.0
Compound_737	CCOC(=O)C=Cc1ccc(cc1)C=Cc1ccc(cc1)C=CC(=O)OCC	0.49	0.0
Compound_738	CCOC(=O)C=Cc1ccccc1	0.89	1.0
Compound_739	CCOc1ccc2c(c1)C(=CC(N2)(C)C)C	0.76	1.0
Compound_740	C=Cc1ccccc1CNCCNCCC[Si](OC)(OC)OC	0.16	0.0
Compound_741	CO[Si](CCCNCCNCc1ccc(cc1)C=C)(OC)OC	0.2	0.0
Compound_742	ClC(=O)C=Cc1ccccc1	0.9	1.0
Compound_743	ClC(=O)N1c2ccccc2C=Cc2c1cccc2	0.38	0.0
Compound_744	Clc1ccc(cc1)C1=C2C(=O)N=C(C2C(=O)N1)c1ccc(cc1)Cl	0.26	0.0
Compound_745	Clc1ccc(cc1)C1=C2C(=O)N=C(C2C(=O)N1)c1ccccc1	0.26	0.0
Compound_746	ClCc1ccc(cc1)C=C	0.88	1.0
Compound_747	O=C1c2cccc(c2C=CC1=N#N)S(=O)(=O)Cl	0.54	1.0
Compound_748	N#N=C1C=C(c2c(C1=O)cccc2)S(=O)(=O)Cl	0.52	1.0
Compound_749	O=CC=Cc1ccc(cc1)N(C)C	0.66	1.0
Compound_750	CN(c1ccc(cc1)C=C1C(=O)NC(=O)NC1=O)C	0.18	0.0
Compound_751	CC1=NN(C(=O)C1=Cc1ccc(cc1)N(C)C)c1ccccc1	0.1	0.0
Compound_752	N#CC(C1=NC(=C2C(=O)NC(=O)NC2=O)c2c1cccc2)C(=O)NC	0.19	0.0
Compound_753	CO[Si](CCC=Cc1ccccc1)(OC)OC	0.68	1.0
Compound_754	CO[Si](c1ccc(cc1)C=C)(OC)OC	0.57	1.0
Compound_755	COC(=O)C(=Cc1ccccc1)C(=O)C	0.51	1.0
Compound_756	COC(=O)C=Cc1ccccc1	0.8	1.0
Compound_757	COC(=O)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)ccc(c2)C	0.46	0.0
Compound_758	COC(=O)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.53	1.0
Compound_759	COC(=O)NC(c1cccc(c1)C(=C)C)(C)C	0.74	1.0
Compound_760	COC(C=Cc1ccccc1)OC	0.62	1.0
Compound_761	COc1ccccc1C=Cc1ccc(cc1)c1ccc(cc1)C=Cc1ccccc1OC	0.79	1.0
Compound_762	COc1ccc(cc1)N(c1ccc(cc1)C=CC=C(c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C=CC=C(c1ccc(cc1)C)c1ccc(cc1)C	0.54	1.0
Compound_763	COc1ccccc1C=CC(=O)O	0.7	1.0
Compound_764	O=CC=Cc1ccccc1OC	0.64	1.0
Compound_765	COC1=Cc2ccccc2Nc2c1cccc2	0.54	1.0
Compound_766	COc1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(OC)nc(n2)Nc2ccccc2)nc(n1)Nc1ccccc1	0.41	0.0
Compound_767	N#CC=Cc1ccccc1	0.89	1.0
Compound_768	N#CC=Cc1ccccc1	0.89	1.0
Compound_769	N#CC(=C1CCCCC1)c1ccccc1	0.83	1.0
Compound_770	N#Cc1ccccc1C=Cc1ccc(cc1)C=Cc1ccccc1C#N	0.82	1.0
Compound_771	N#Cc1cccc(c1)C=Cc1ccc(cc1)C=Cc1cccc(c1)C#N	0.8	1.0
Compound_772	N#Cc1ccc(cc1)C=Cc1ccc(cc1)C=Cc1ccccc1C#N	0.82	1.0
Compound_773	N#Cc1ccc(cc1)C=Cc1ccc(cc1)C=Cc1cccc(c1)C#N	0.8	1.0
Compound_774	N#Cc1ccc(cc1)C=Cc1ccc(cc1)C=Cc1ccc(cc1)C#N	0.8	1.0
Compound_775	N#Cc1cccc(c1)C=Cc1ccc(cc1)C=Cc1ccccc1C#N	0.82	1.0
Compound_776	N#CN1c2ccccc2C=Cc2c1cccc2	0.35	0.0
Compound_777	c1ccc2c(c1)C=Cc1c(N2)cccc1	0.75	1.0
Compound_778	O=C(c1ccccc1N)OCC=Cc1ccccc1	0.55	1.0
Compound_779	Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.86	1.0
Compound_780	Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N	0.81	1.0
Compound_781	Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1	0.05	0.0
Compound_782	N#CC1c2ccccc2C=CN1C(=O)c1ccccc1	0.31	0.0
Compound_783	O=C(C1=Cc2c(S1(=O)=O)cccc2)NC1CCCCC1	0.31	0.0
Compound_784	O=C(OC1CCCCC1)C=Cc1ccccc1	0.82	1.0
Compound_785	N#CC(=C(c1ccccc1)c1ccccc1)C(=O)OCC(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N	0.53	1.0
Compound_786	O=C(C=Cc1ccccc1)OCC=Cc1ccccc1	0.8	1.0
Compound_787	O=C(c1ccccc1)OCC=Cc1ccccc1	0.8	1.0
Compound_788	O=C(C=Cc1ccccc1)OCc1ccccc1	0.8	1.0
Compound_789	O=C(C=Cc1ccccc1)OCCCc1ccccc1	0.8	1.0
Compound_790	O=CC=Cc1ccccc1	0.95	1.0
Compound_791	O=CC=Cc1ccccc1	0.95	1.0
Compound_792	N#Cc1cccc(c1)C1=C2C(=O)N=C(C2C(=O)N1)c1cccc(c1)C#N	0.27	0.0
Compound_793	O=C1NC(=C2C1C(=NC2=O)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1	0.26	0.0
Compound_794	O=C1NC(=C2C1C(=NC2=O)c1ccccc1)c1ccccc1	0.26	0.0
Compound_795	O=C1NC(=C2C1C(=NC2=O)c1ccccc1)c1ccccc1	0.26	0.0
Compound_796	O=C1NC(=O)C(C(=O)N1)C1=NC(=C2C(=O)NC(=O)NC2=O)c2c1cccc2	0.17	0.0
Compound_797	O=CC(=Cc1ccco1)c1ccccc1	0.81	1.0
Compound_798	O=CC(=CCc1ccccc1)c1ccccc1	0.78	1.0
Compound_799	O=COCC=Cc1ccccc1	0.89	1.0
Compound_800	c1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.7	1.0
Compound_801	OC(=O)c1ccc2c3c1cccc3C=C2	0.73	1.0
Compound_802	OCC=Cc1ccccc1	0.49	0.0
Compound_803	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO	0.21	0.0
Compound_804	COc1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(OC)nc(n2)Nc2ccccc2)nc(n1)Nc1ccccc1	0.41	0.0
Compound_805	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO	0.21	0.0
Compound_806	OCCNc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)O)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(NCCO)nc(n1)Nc1cccc(c1)S(=O)(=O)O	0.36	0.0
Compound_807	OP(=O)(C=Cc1ccccc1)O	0.44	0.0
Compound_808	CN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.22	0.0
Compound_809	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1cc(nc(n1)Oc1ccc2c(c1)cccc2)Oc1ccc2c(c1)cccc2)Nc1cc(nc(n1)Oc1ccc2c(c1)cccc2)Oc1ccc2c(c1)cccc2	0.41	0.0
Compound_810	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.83	1.0
Compound_811	N#N=C1C(=O)C=C(c2c1ccc(c2)N(=O)=O)S(=O)(=O)O	0.7	1.0
Compound_812	N#N=C1C(=O)C=C(c2c1ccc(c2)N(=O)=O)S(=O)(=O)O	0.7	1.0
Compound_813	N#N=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O	0.54	1.0
Compound_814	O=C1c2cccc(c2C=CC1=N#N)S(=O)(=O)O	0.54	1.0
Compound_815	O=C1C=C(C(=O)c2c1cccc2)S(=O)(=O)O	0.43	0.0
Compound_816	CC(CCCC(CCCC(C)C)C)CCCC(=CCC1=C(C)C(=O)c2c(C1=O)cccc2)C	0.19	0.0
Compound_817	O=C1C=C(C)C(=O)c2c1cccc2	0.33	0.0
Compound_818	O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl	0.66	1.0
Compound_819	BrC1=C(Br)C(=O)c2c(C1=O)c(N)cc(c2O)Br	0.35	0.0
Compound_820	O=C1C=CC(=O)c2c1cccc2	0.72	1.0
Compound_821	O=C1C=CC(=O)c2c1c(O)ccc2	0.74	1.0
Compound_822	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CC=C2)C)C	0.48	0.0
Compound_823	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C	0.44	0.0
Compound_824	OCC1(C)CCCC2(C1CCC1=CC(CCC21)C(C)C)C	0.51	1.0
Compound_825	CC(C1CCC2C(=C1)CCC1C2(C)CCCC1(C)C(=O)OC(COC(=O)C1(C)CCCC2(C1CCC1=CC(CCC21)C(C)C)C)COC(=O)C1(C)CCCC2(C1CCC1=CC(CCC21)C(C)C)C)C	0.47	0.0
Compound_826	C1=CC2C(C1)C1CCC2C1	0.89	1.0
Compound_827	CC(=CCC1CCCC1=O)CCC=C(C)C	0.49	0.0
Compound_828	OS(=O)(=O)c1cccc2c1cccc2	0.57	1.0
Compound_829	OS(=O)(=O)c1cccc2c1cccc2	0.57	1.0
Compound_830	OS(=O)(=O)c1cccc2c1cccc2	0.57	1.0
Compound_831	OS(=O)(=O)c1ccc2c(c1)cccc2	0.57	1.0
Compound_832	OS(=O)(=O)c1ccc2c(c1)cccc2	0.57	1.0
Compound_833	OS(=O)(=O)c1ccc2c(c1)cccc2	0.57	1.0
Compound_834	Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.53	1.0
Compound_835	OS(=O)(=O)c1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O	0.55	1.0
Compound_836	OS(=O)(=O)c1ccc2c(c1)cc(cc2S(=O)(=O)O)S(=O)(=O)O	0.55	1.0
Compound_837	OS(=O)(=O)c1c2ccccc2cc(c1S(=O)(=O)O)S(=O)(=O)O	0.56	1.0
Compound_838	OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O	0.55	1.0
Compound_839	OS(=O)(=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O	0.55	1.0
Compound_840	OS(=O)(=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O	0.55	1.0
Compound_841	OS(=O)(=O)c1ccc2c(c1)cc(cc2)S(=O)(=O)O	0.55	1.0
Compound_842	OS(=O)(=O)c1ccc2c(c1)cccc2S(=O)(=O)O	0.55	1.0
Compound_843	Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O	0.55	1.0
Compound_844	OC(=O)Cc1cccc2c1cccc2	0.69	1.0
Compound_845	Cc1cc2cccc(c2cc1C)S(=O)(=O)O	0.62	1.0
Compound_846	Oc1cc2cc(ccc2cc1O)S(=O)(=O)O	0.6	1.0
Compound_847	Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O	0.53	1.0
Compound_848	Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O	0.53	1.0
Compound_849	OS(=O)(=O)c1ccc2c(c1)cc(cc2S(=O)(=O)O)S(=O)(=O)O	0.55	1.0
Compound_850	Brc1cccc2c1cccc2	0.95	1.0
Compound_851	Brc1ccc2c(c1)cccc2	0.95	1.0
Compound_852	Brc1ccc2c3c1cccc3CC2	0.97	1.0
Compound_853	c1ccc2c(c1)cccc2	0.99	1.0
Compound_854	c1cc2cccc3c2c(c1)CC3	1.0	1.0
Compound_855	CC(=O)c1cccc2c1cccc2	0.84	1.0
Compound_856	CC(=O)c1ccc2c(c1)cccc2	0.84	1.0
Compound_857	Cc1cccc2c1cccc2	0.99	1.0
Compound_858	Cc1ccc2c(c1)cccc2	0.99	1.0
Compound_859	Cc1nc2c(o1)ccc1c2cccc1	0.82	1.0
Compound_860	CNCc1cccc2c1cccc2	0.45	0.0
Compound_861	NCCCCCCNS(=O)(=O)c1cccc2c1cccc2	0.12	0.0
Compound_862	Clc1cccc2c1cccc2	0.93	1.0
Compound_863	ClCc1cccc2c1cccc2	0.92	1.0
Compound_864	ClS(=O)(=O)c1ccc2c(c1)cccc2	0.91	1.0
Compound_865	ClS(=O)(=O)c1cccc2c1cccc2	0.91	1.0
Compound_866	COc1ccc2c(c1)ccc(c2)C(=O)C	0.72	1.0
Compound_867	COc1ccc2c(c1)cc(cc2)OC	0.78	1.0
Compound_868	COc1ccc2c(c1)cccc2	0.81	1.0
Compound_869	OS(=O)(=O)c1ccc2c(c1)cccc2	0.57	1.0
Compound_870	O=C1C(=O)c2c3c1cccc3ccc2	0.83	1.0
Compound_871	O=C1Cc2c3c1cccc3ccc2	0.85	1.0
Compound_872	O=c1oc(nc2c1cccc2)c1ccccc1NS(=O)(=O)c1ccc2c(c1)cccc2	0.19	0.0
Compound_873	O=Cc1cccc2c1cccc2	0.88	1.0
Compound_874	c1ccc(cc1)c1cnc(o1)c1cccc2c1cccc2	0.79	1.0
Compound_875	c1ccc2c(c1)c(ccc2c1nc2c(o1)cccc2)c1nc2c(o1)cccc2	0.72	1.0
Compound_876	OC(=O)c1cccc2c1cccc2	0.76	1.0
Compound_877	OC(=O)c1ccc2c(c1)cccc2	0.76	1.0
Compound_878	Brc1ccc2c(c1)ccc(c2)C(=O)O	0.83	1.0
Compound_879	OC(=O)c1ccc2c(c1)ccc(c2)C(=O)O	0.66	1.0
Compound_880	Oc1ccc2c(c1)ccc(c2)C(=O)O	0.8	1.0
Compound_881	OC(=O)c1cc2ccccc2cc1O	0.69	1.0
Compound_882	OC(=O)Cc1cccc2c1cccc2	0.69	1.0
Compound_883	OC(=O)Cc1ccc2c(c1)cccc2	0.69	1.0
Compound_884	O=Cc1c(O)ccc2c1cccc2	0.96	1.0
Compound_885	Oc1ccc2c(c1)cccc2	0.98	1.0
Compound_886	Oc1cc2ccccc2cc1O	1.0	1.0
Compound_887	Oc1ccc2c(c1)cc(cc2)O	0.99	1.0
Compound_888	Oc1ccc2c(c1)ccc(c2)Br	0.99	1.0
Compound_889	OS(=O)(=O)c1ccc(cc1)N=c1cc2c(c3c1cccc3)nc1c(n2c2ccccc2)cccc1	0.29	0.0
Compound_890	OS(=O)(=O)c1cccc2c1cccc2	0.57	1.0
Compound_891	OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O	0.55	1.0
Compound_892	Sc1ccc2c(c1)cccc2	0.97	1.0
Compound_893	O=c1c2c3[nH]c4ccc5c(c4[nH]c3ccc2c(=O)c2c1cccc2S(=O)(=O)O)c(=O)c1c(c5=O)cccc1	0.46	0.0
Compound_894	c1ccc2c(c1)cc1c(c2)cccc1	0.99	1.0
Compound_895	Clc1cc2c(c3c1[nH]c1c([nH]3)c(Cl)cc3c1c(=O)c1c(c3=O)cccc1)c(=O)c1c(c2=O)cccc1	0.2	0.0
Compound_896	O=c1c2ccccc2c2c3c1cccc3[nH]n2	0.56	1.0
Compound_897	O=c1c2c3[nH]c4ccc5c(c4[nH]c3ccc2c(=O)c2c1cccc2)c(=O)c1c(c5=O)cccc1	0.22	0.0
Compound_898	CC(=O)C(C(=O)Nc1ccccc1C)N=Nc1ccc(cc1N(=O)=O)S(=O)(=O)O	0.62	1.0
Compound_899	CC(=O)C(C(=O)Nc1ccccc1Cl)N=Nc1ccc(cc1N(=O)=O)S(=O)(=O)O	0.61	1.0
Compound_900	N#[N+]c1ccc(cc1N(=O)=O)Cl	0.42	0.0
Compound_901	CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1N(=O)=O)N(C)C)C	0.33	0.0
Compound_902	OC(=O)c1ccc(c(c1)N=Cc1c(O)ccc2c1cccc2)N=Cc1c(O)ccc2c1cccc2	0.32	0.0
Compound_903	Oc1cc(cc2c1c(N)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O	0.73	1.0
Compound_904	Nc1ccc2c(c1N=Nc1ccccc1S(=O)(=O)Oc1ccc(cc1)C(c1ccc(cc1)OS(=O)(=O)c1ccccc1N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)(C)C)c(O)cc(c2)S(=O)(=O)O	0.82	1.0
Compound_905	Nc1ccc2c(c1N=Nc1ccccc1S(=O)(=O)Oc1ccc(cc1)C(c1ccc(cc1)OS(=O)(=O)c1ccccc1N=Nc1c(N)ccc3c1cccc3S(=O)(=O)O)(C)C)cccc2S(=O)(=O)O	0.82	1.0
Compound_906	Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O	0.81	1.0
Compound_907	Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O	0.83	1.0
Compound_908	Cc1cccc(c1Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)Oc1ccc(cc1)C1CCCCC1)c(O)cc(c2)S(=O)(=O)O)C	0.7	1.0
Compound_909	CCCCCCCCCCOC(=O)Nc1ccc(c(c1)C)c1cc(c(cc1C)N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.42	0.0
Compound_910	Nc1c(N=Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O	0.66	1.0
Compound_911	Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O	0.89	1.0
Compound_912	Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O	0.89	1.0
Compound_913	Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O	0.88	1.0
Compound_914	Clc1cc(ccc1c1ccc(cc1Cl)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)O	0.68	1.0
Compound_915	Nc1ccc2c(c1N=Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O	0.89	1.0
Compound_916	O=N(=O)c1cc(ccc1Nc1cccc(c1)N=Nc1ccc(c(c1)C)O)S(=O)(=O)NS(=O)(=O)C	0.53	1.0
Compound_917	Cc1ccc(cc1)S(=O)(=O)Oc1ccc(c(c1)C)N=Nc1cccc(c1)Nc1ccc(cc1N(=O)=O)S(=O)(=O)O	0.78	1.0
Compound_918	Cc1ccc(c(c1)C)NS(=O)(=O)c1cc(ccc1Cl)N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)O	0.61	1.0
Compound_919	CCN(S(=O)(=O)c1cc(N=Nc2c(N)ccc3c2c(O)cc(c3)S(=O)(=O)O)ccc1C)c1ccccc1	0.48	0.0
Compound_920	CCN(S(=O)(=O)c1ccccc1N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)O)c1ccccc1	0.48	0.0
Compound_921	CCN(S(=O)(=O)c1ccccc1N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)O)C1CCCCC1	0.34	0.0
Compound_922	Nc1ccc2c(c1N=Nc1ccccc1S(=O)(=O)N(C1CCCCC1)C)c(O)cc(c2)S(=O)(=O)O	0.48	0.0
Compound_923	O=N(=O)c1cc(ccc1N)S(=O)(=O)O	0.79	1.0
Compound_924	Clc1ccc(c(c1)N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)O)Cl	0.85	1.0
Compound_925	Clc1ccc(c(c1)C(F)(F)F)N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)O	0.83	1.0
Compound_926	Nc1ccc2c(c1N=Nc1ccccc1C(F)(F)F)c(O)cc(c2)S(=O)(=O)O	0.85	1.0
Compound_927	Nc1ccc2c(c1N=Nc1ccccc1C(F)(F)F)c(O)cc(c2)S(=O)(=O)O	0.85	1.0
Compound_928	Nc1ccc2c(c1N=Nc1ccccc1S(=O)(=O)c1ccccc1)c(O)cc(c2)S(=O)(=O)O	0.89	1.0
Compound_929	Nc1ccc2c(c1N=Nc1ccccc1S(=O)(=O)Oc1ccccc1)c(O)cc(c2)S(=O)(=O)O	0.9	1.0
Compound_930	Oc1ccc2c(c1C=Nc1cc3[nH]c(=O)[nH]c3cc1N=Cc1c(O)ccc3c1cccc3)cccc2	0.14	0.0
Compound_931	O=N(=O)c1ccccc1N(=O)=O	0.82	1.0
Compound_932	O=N(=O)c1cc(ccc1Nc1ccccc1)S(=O)(=O)Nc1ccccc1	0.56	1.0
Compound_933	O=N(=O)c1ccccc1Nc1ccccc1	0.64	1.0
Compound_934	Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)C	0.56	1.0
Compound_935	Cc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.56	1.0
Compound_936	Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.53	1.0
Compound_937	Clc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.53	1.0
Compound_938	O=C(C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.22	0.0
Compound_939	Clc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.54	1.0
Compound_940	Clc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1Cl)C(=O)C	0.54	1.0
Compound_941	CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccccc1N(=O)=O	0.57	1.0
Compound_942	O=C(Nc1ccc(cc1N(=O)=O)Cl)CC(=O)C	0.37	0.0
Compound_943	CC(=O)Nc1ccccc1N(=O)=O	0.62	1.0
Compound_944	CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc(N)c(c2)N)ccc(c1)OC(=O)C	0.23	0.0
Compound_945	O=C1CC(C)(C)CC(=O)C1N=Nc1ccc(cc1N(=O)=O)Cl	0.48	0.0
Compound_946	N#CC1=C(C)C(N=Nc2ccc(cc2N(=O)=O)Cl)C(=O)N(C1=O)CCCOCCOc1ccccc1	0.14	0.0
Compound_947	O=N(=O)c1c(ccc(c1C)C)N(=O)=O	0.77	1.0
Compound_948	Nc1c(C)cccc1N	0.65	1.0
Compound_949	Clc1ccc(c(c1)N(=O)=O)N=NC1C(=Nn2c1nc1ccccc1c2=O)C	0.31	0.0
Compound_950	Cc1ccc(c(c1)N(=O)=O)N	0.67	1.0
Compound_951	OCCNc1ccc(cc1N(=O)=O)C	0.22	0.0
Compound_952	Cc1ccc(c(c1)N)N	0.65	1.0
Compound_953	Clc1ccc(c(c1)N(=O)=O)N=NC1C(C)N=NC1=O	0.44	0.0
Compound_954	CCC(Nc1c(cc(cc1N(=O)=O)C(C)(C)C)N(=O)=O)C	0.21	0.0
Compound_955	CCC(Nc1c(cc(c(c1N(=O)=O)C)C)N(=O)=O)CC	0.14	0.0
Compound_956	CCc1cccc(c1N(=O)=O)N(=O)=O	0.68	1.0
Compound_957	CCCC(=O)Nc1c(C)cc(cc1N(=O)=O)C(=O)OC	0.27	0.0
Compound_958	CCCCC(CN1C(=O)C(N=Nc2ccccc2N(=O)=O)C(=C(C1=O)C#N)C)CC	0.15	0.0
Compound_959	CCCCc1ccc(cc1)N(c1c(N(c2ccc(cc2)CCCC)c2ccc(cc2)C)c2ccccc2c2c1cccc2)c1ccc(cc1)C	0.52	1.0
Compound_960	CCCCCCCCCCNS(=O)(=O)c1ccccc1N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)O	0.25	0.0
Compound_961	CCCCN1C(=O)C(=C(C(C1=O)C#N)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.13	0.0
Compound_962	CCCCN1C(=O)C(N=Nc2ccc(cc2N(=O)=O)Cl)C(=C(C1=O)C#N)C	0.14	0.0
Compound_963	CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CCC	0.74	1.0
Compound_964	CCCN1C(=O)C(=C(C(C1=O)C#N)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.16	0.0
Compound_965	CCCSc1ccc(c(c1)NC(=NCCS(=O)(=O)O)NC(=O)OC)N(=O)=O	0.28	0.0
Compound_966	CCN(S(=O)(=O)c1cc(N=Nc2c(N)ccc3c2c(O)cc(c3)S(=O)(=O)O)ccc1C)c1ccccc1	0.48	0.0
Compound_967	CCN1C(=O)C(N=Nc2ccc(cc2N(=O)=O)Cl)C(=C(C1=O)C#N)C	0.2	0.0
Compound_968	CCN1C(=O)C(N=Nc2ccccc2N(=O)=O)C(=C(C1=O)C#N)C	0.15	0.0
Compound_969	CCN1C(=O)C(N=Nc2ccc(cc2N(=O)=O)OC)C(=C(C1=O)C#N)C	0.19	0.0
Compound_970	CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC	0.52	1.0
Compound_971	CCOc1ccc(c(c1)N(=O)=O)N	0.57	1.0
Compound_972	CCOc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.48	0.0
Compound_973	CCOc1ccc(cc1)Nc1ccc(cc1N(=O)=O)S(=O)(=O)N(C)C	0.58	1.0
Compound_974	CCOc1ccc(cc1)Nc1ccc(cc1N(=O)=O)S(=O)(=O)N	0.57	1.0
Compound_975	Nc1ccc(cc1N)c1ccc(c(c1)N)N	0.68	1.0
Compound_976	Nc1ccccc1N	0.66	1.0
Compound_977	Nc1ccccc1N	0.66	1.0
Compound_978	COc1ccc(c(c1)N(=O)=O)[N+]#N	0.78	1.0
Compound_979	N#CC1=C(C)C(N=Nc2ccc(cc2N(=O)=O)Cl)C(=O)N(C1=O)C	0.18	0.0
Compound_980	COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC	0.73	1.0
Compound_981	N#CC1=C(C)C(C(=NC1=O)O)N=Nc1ccc(cc1N(=O)=O)OC	0.31	0.0
Compound_982	N#CC1=C(C)C(N=Nc2ccc(cc2N(=O)=O)OC)C(=O)N(C1=O)CCCOC(C)C	0.19	0.0
Compound_983	COc1ccc(c(c1)N(=O)=O)N	0.75	1.0
Compound_984	COc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.63	1.0
Compound_985	COc1ccc(c(c1)N(=O)=O)N=NC1C(=O)N(C)C(=O)N(C1=O)c1cccc(c1)Cl	0.22	0.0
Compound_986	COc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.62	1.0
Compound_987	COCC(=O)Nc1cc(ccc1N=C(NC(=O)OC)NC(=O)OC)Sc1ccccc1	0.26	0.0
Compound_988	CCN(c1ccc2c(c1)oc(=O)c(c2)C1N(C)c2c(N1C)cccc2)CC	0.09	0.0
Compound_989	O=N(=O)c1cc(ccc1N)S(=O)(=O)Nc1ccccc1	0.55	1.0
Compound_990	Clc1ccc(c(c1)N(=O)=O)N	0.48	0.0
Compound_991	Clc1cc(N(=O)=O)c(c(c1)N(=O)=O)N	0.55	1.0
Compound_992	Fc1ccc(c(c1)N(=O)=O)N	0.52	1.0
Compound_993	Oc1ccc(c(c1)N(=O)=O)N	0.72	1.0
Compound_994	Clc1ccc(c(c1)N)N(=O)=O	0.48	0.0
Compound_995	Nc1c(cccc1N(=O)=O)N(=O)=O	0.71	1.0
Compound_996	O=N(=O)c1ccc2c(c1N)cccc2	0.58	1.0
Compound_997	Nc1c(N)ccc2c1cc(cc2S(=O)(=O)O)S(=O)(=O)O	0.81	1.0
Compound_998	O=C1c2ccccc2c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(c(c2N)N)c2c(C1=O)cccc2	0.51	1.0
Compound_999	O=N(=O)c1cc(ccc1N)S(=O)(=O)O	0.79	1.0
Compound_1000	Nc1ccc(cc1N)c1ccc(c(c1)N)N	0.68	1.0
Compound_1001	Nc1ccc2c(c1N=Nc1ccccc1)cccc2	0.68	1.0
Compound_1002	O=N(=O)c1ccccc1N	0.67	1.0
Compound_1003	Nc1cc2nc3ccccc3nc2cc1N	0.21	0.0
Compound_1004	O=N(=O)c1cc(ccc1Nc1ccccc1)S(=O)(=O)N	0.55	1.0
Compound_1005	Oc1ccc(cc1)Nc1ccccc1N(=O)=O	0.7	1.0
Compound_1006	OCC(CNc1ccc(cc1N(=O)=O)C(F)(F)F)O	0.28	0.0
Compound_1007	OCCCNc1ccc(cc1N(=O)=O)O	0.2	0.0
Compound_1008	OCCNc1ccc(cc1N(=O)=O)C(F)(F)F	0.23	0.0
Compound_1009	OCCNc1ccc(cc1N(=O)=O)O	0.25	0.0
Compound_1010	OCCNc1ccccc1N(=O)=O	0.24	0.0
Compound_1011	CCOc1ccc(c(c1)N)N	0.58	1.0
Compound_1012	OCC1OC(OC2C(O)C(N)CC(C2O)NC)C2C(C1O)OC1(O2)OC(C(CO)N)C(C(C1O)O)O	0.07	0.0
Compound_1013	OCC1OC(OC2CC3CCC4C(C3(CC2O)C)CCC2(C4C(O)C3C2C(C2(O3)CCC(CO2)C)C)C)C(C(C1OC1OC(CO)C(C(C1OC1OC(CO)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)O)OC1OCC(C(C1O)O)O)O)O)O	0.28	0.0
Compound_1014	O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2	0.84	1.0
Compound_1015	OCC1OC(OC2C(N)CC(C(C2O)OC2OC(CN)C(C(C2O)O)O)N)C(C(C1O)N)O	0.0	0.0
Compound_1016	OCC1OC(OC2C(N)CC(C(C2O)OC2OC(CN)C(C(C2O)O)O)N)C(C(C1O)N)O	0.0	0.0
Compound_1017	CNC1C(O)C(OCC1(C)O)OC1C(N)CC(C(C1O)OC1OC(C(O)C)C(C(C1N)O)O)N	0.13	0.0
Compound_1018	OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=N)N)O)NC(=N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC	0.09	0.0
Compound_1019	C1Oc2c(O1)cccc2	0.78	1.0
Compound_1020	CCc1ccc(c(c1)OC)O	0.5	0.0
Compound_1021	CCCc1ccc(c(c1)OC)O	0.56	1.0
Compound_1022	COc1cc(CN)ccc1O	0.42	0.0
Compound_1023	COc1cc(C=O)ccc1O	0.67	1.0
Compound_1024	COc1ccccc1O	0.33	0.0
Compound_1025	COc1cc(C)ccc1OC	0.52	1.0
Compound_1026	COc1cc(CCl)ccc1OC	0.61	1.0
Compound_1027	NCCc1ccc(c(c1)OC)OC	0.18	0.0
Compound_1028	COc1cc(CO)ccc1OC	0.59	1.0
Compound_1029	COc1cc(cc(c1O)OC)C(=O)O	0.67	1.0
Compound_1030	COc1cc(cc(c1OC)OC)C(=O)O	0.64	1.0
Compound_1031	COc1cc(ccc1O)C(=O)C	0.69	1.0
Compound_1032	COc1cc(ccc1O)C(=O)O	0.82	1.0
Compound_1033	COc1c(OC)cc(cc1OC)C	0.61	1.0
Compound_1034	COc1cc(C)ccc1O	0.44	0.0
Compound_1035	COc1cc(C=O)cc(c1OC)OC	0.64	1.0
Compound_1036	COc1cc(ccc1O)CC(=O)O	0.73	1.0
Compound_1037	COc1cc(ccc1OC)C(=O)O	0.76	1.0
Compound_1038	O=Cc1ccc(c(c1)O)OC	0.67	1.0
Compound_1039	COc1cc(C=O)ccc1OC	0.64	1.0
Compound_1040	COc1cccc(c1O)OC	0.59	1.0
Compound_1041	COc1c(OC)cccc1OC	0.61	1.0
Compound_1042	COc1ccccc1OC	0.45	0.0
Compound_1043	O=Cc1ccc2c(c1)OCO2	0.6	1.0
Compound_1044	OC(=O)c1cc(O)c(c(c1)O)O	0.57	1.0
Compound_1045	OC(=O)c1ccc(c(c1)O)O	0.75	1.0
Compound_1046	O=Cc1ccc(c(c1)O)O	0.87	1.0
Compound_1047	Oc1ccccc1O	0.98	1.0
Compound_1048	Oc1c(O)cccc1O	0.99	1.0
Compound_1049	OCc1ccc2c(c1)OCO2	0.63	1.0
Compound_1050	OCCc1ccc(c(c1)O)O	0.68	1.0
Compound_1051	Cc1ccc(cc1)n1c(=O)c2cc(c(c3c2c(c1=O)ccc3)N)S(=O)(=O)O	0.26	0.0
Compound_1052	Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c1cccc2c1ccnc2	0.08	0.0
Compound_1053	c1ccc2c(c1)cncc2	0.99	1.0
Compound_1054	Cc1cc(cc(c1)C)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1cc(C)cc(c1)C	0.13	0.0
Compound_1055	Cc1ccc(c(c1)C)n1c(=O)c2cccc3c2c(c1=O)ccc3N	0.07	0.0
Compound_1056	CCCCC(Cn1c(=O)c2ccc(c3c2c(c1=O)ccc3OC)OC)CC	0.17	0.0
Compound_1057	CCCCNc1ccc2c3c1cccc3c(=O)n(c2=O)CCCC	0.05	0.0
Compound_1058	CCCCNc1ccc2c3c1cccc3c(=O)n(c2=O)CCCC	0.05	0.0
Compound_1059	CCOc1cc2c3c4c1c1nc5c(n1c(=O)c4ccc3c(=O)n1c2nc2c1cccc2)cccc5	0.19	0.0
Compound_1060	CCOc1ccc(cc1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)OCC	0.19	0.0
Compound_1061	CCOc1ccc(cc1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1cc(C)cc(c1)C	0.19	0.0
Compound_1062	CCOc1ccc2c3c1c(OCC)ccc3c(=O)n(c2=O)C	0.21	0.0
Compound_1063	Clc1ccc(cc1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)Cl	0.15	0.0
Compound_1064	O=c1c2ccc3c4c2c(c(=O)n1C)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)C	0.16	0.0
Compound_1065	Cn1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)CCS(=O)(=O)O	0.19	0.0
Compound_1066	COc1ccc2c3c1cccc3c(=O)n(c2=O)C	0.22	0.0
Compound_1067	COc1cccc2c1n1c(=O)c3cccc4c3c(c1n2)ccc4	0.18	0.0
Compound_1068	COc1ccc(cc1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)OC	0.18	0.0
Compound_1069	COc1ccc2c3c1c(OC)ccc3c(=O)n(c2=O)Cc1ccccc1	0.18	0.0
Compound_1070	COc1ccc(cc1)Cn1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)Cc1ccc(cc1)OC	0.16	0.0
Compound_1071	COCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n1c3nc2c1ccc(c2)C	0.07	0.0
Compound_1072	COc1ccc2c3c1cccc3c(=O)n(c2=O)CC(C[N+](C)(C)C)(C)C	0.13	0.0
Compound_1073	Fc1cncc2c1cccc2	0.91	1.0
Compound_1074	Nc1ccc2c3c1cccc3c(=O)[nH]c2=O	0.42	0.0
Compound_1075	N#CSc1cccc(c1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1cccc(c1)SC#N	0.16	0.0
Compound_1076	O=c1c2ccc3c4c2c(c(=O)n1c1ccc(cc1)N=Nc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)N=Nc1ccccc1	0.17	0.0
Compound_1077	O=c1c2ccc3c4c2c(c(=O)n1CCc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)CCc1ccccc1	0.08	0.0
Compound_1078	O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c1c(s3)cccc1	0.22	0.0
Compound_1079	O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4sc1c3cccc1	0.22	0.0
Compound_1080	O=c1c2ccc3c4c2c(c(=O)n1CCCN1CCN(CC1)CCCn1c(=O)c2ccc5c6c2c(c1=O)ccc6c1n(c5=O)c2c(n1)cccc2)ccc4c1n(c3=O)c2c(n1)cccc2	0.05	0.0
Compound_1081	O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c1n(c3=O)c2c(n1)cccc2	0.21	0.0
Compound_1082	O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2	0.21	0.0
Compound_1083	O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)c(=O)[nH]c1=O	0.35	0.0
Compound_1084	O=c1[nH]c2c([nH]1)cc1c(c2)nc2n1c(=O)c1c3c2cccc3ccc1	0.11	0.0
Compound_1085	OC(=O)c1nccc2c1cccc2	0.65	1.0
Compound_1086	OCCCNc1ccc2c3c1cccc3c(=O)n(c2=O)CCCO	0.05	0.0
Compound_1087	O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)c2c3c1cccc3c(cc2)S(=O)(=O)O	0.33	0.0
Compound_1088	Brc1c(Br)c(Br)c2c(c1Br)C(=O)n1c2nc2c3c1cccc3ccc2	0.16	0.0
Compound_1089	Cc1nc2ccccc2c(=O)n1c1ccccc1C	0.04	0.0
Compound_1090	CCN(c1ccc(cc1)c1nc(Oc2ccc(cc2)C(c2ccc(cc2)Oc2nc(nc3c2cccc3)c2ccc(cc2)N(CC)CC)(C)C)c2c(n1)cccc2)CC	0.13	0.0
Compound_1091	CCN(c1ccc2c(c1)oc(=N)c(c2)c1nc(=O)c2c([nH]1)cccc2)CC	0.06	0.0
Compound_1092	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc(=O)c2c([nH]1)cccc2)CC	0.06	0.0
Compound_1093	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc(=O)c2c([nH]1)cccc2)CC	0.06	0.0
Compound_1094	Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)n1c2nc2c3c1cccc3ccc2	0.17	0.0
Compound_1095	Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)n1c2nc2c3c1cccc3ccc2	0.17	0.0
Compound_1096	COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC	0.28	0.0
Compound_1097	COc1cc2nc(Cl)nc(c2cc1OC)N	0.2	0.0
Compound_1098	COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl	0.21	0.0
Compound_1099	O=C1c2ccccc2c2n1c1cccc3c1c(n2)c(cc3)S(=O)(=O)Nc1ccccc1	0.29	0.0
Compound_1100	O=C1c2ccccc2c2n1c1cccc3c1c(n2)ccc3	0.17	0.0
Compound_1101	O=C1c2ccccc2c2n1c1cccc3c1c(n2)ccc3	0.17	0.0
Compound_1102	O=C1c2ccccc2c2n1c1cccc3c1c(n2)ccc3S(=O)(=O)Nc1ccccc1	0.29	0.0
Compound_1103	O=C1c2ccccc2c2n1c1c3c(n2)cccc3ccc1S(=O)(=O)Nc1ccccc1	0.29	0.0
Compound_1104	O=c1c2cccc3c2c(c2n1c1cccc4c1c(n2)ccc4)ccc3	0.17	0.0
Compound_1105	N#CC(C1=NC(=C2C(=O)NC(=O)NC2=O)c2c1cccc2)c1nc2ccccc2c(=O)[nH]1	0.13	0.0
Compound_1106	OCCNc1ccc2c3c1cccc3c(=O)n1c2nc2cccc3c2c1ccc3	0.02	0.0
Compound_1107	OCCNc1ccc2c3c1cccc3c1n(c2=O)c2cccc3c2c(n1)ccc3	0.02	0.0
Compound_1108	CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C	0.25	0.0
Compound_1109	CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C	0.24	0.0
Compound_1110	CNc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C	0.27	0.0
Compound_1111	C=CCc1ccc2c(c1)OCO2	0.83	1.0
Compound_1112	C=CCc1ccccc1	0.91	1.0
Compound_1113	CC1CC(=CC(O1)c1ccccc1)C	0.71	1.0
Compound_1114	C=CCc1ccc(c(c1)OC)OC(OC)C	0.44	0.0
Compound_1115	C=CCc1ccc(c(c1)OC)O	0.24	0.0
Compound_1116	C=CCc1ccc(c(c1)OC)OC(=O)C	0.6	1.0
Compound_1117	C=CCc1ccc(c(c1)OC)OC=O	0.64	1.0
Compound_1118	C=CCc1ccc(c(c1)OC)OC(=O)Cc1ccccc1	0.63	1.0
Compound_1119	COc1ccc(cc1)CC=C	0.51	1.0
Compound_1120	C=CCc1ccc(c(c1)OC)OC	0.32	0.0
Compound_1121	C=CCc1ccc(cc1)O	0.77	1.0
Compound_1122	C=CCc1ccccc1O	0.73	1.0
Compound_1123	c1ccc2c(c1)C1=NC3=NC(=NC4NC(=NC5=NC(=NC2N1)c1ccccc51)c1c4cccc1)c1c3cccc1	0.35	0.0
Compound_1124	C[N+](Cc1ccc2c(c1)C1=Nc3[nH]c(c4c3cc(cc4)C[N+](C)(C)C)NC3=NC(=NC4=NC(=NC2=N1)c1ccc(cc41)C[N+](C)(C)C)c1c3cccc1)(C)C	0.09	0.0
Compound_1125	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1126	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1127	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1128	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1129	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1130	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1131	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1132	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1133	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1134	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1135	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1136	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1137	F[B-]1(F)ON=C(c2ccccc2)C(=NO[B-](ON=C(C(=NO1)c1ccccc1)c1ccccc1)(F)F)c1ccccc1	0.47	0.0
Compound_1138	OS(=O)(=O)c1cccc2c1c1N=C3N=C(c4c3cccc4)N=C3N=C(N=C4N=C(Nc2[nH]1)c1ccccc41)c1c3cccc1S(=O)(=O)O	0.4	0.0
Compound_1139	CCCCC(COCCCNS(=O)(=O)c1ccc2c(c1)C1=Nc3[nH]c(c4c3ccc(c4)S(=O)(=O)NCCCOCC(CCCC)CC)N=C3N=C(N=c4[nH]c(=NC2=N1)c1c4cccc1S(=O)(=O)NCCCOCC(CCCC)CC)c1c3cccc1)CC	0.04	0.0
Compound_1140	Brc1cc2C3=Nc4[nH]c(c5c4c(Cl)c(c(c5)Br)Br)N=C4N=C(NC5=NC(=NC(=N3)c2cc1Br)c1cc(Br)c(c(c51)Cl)Br)c1c4cc(Br)c(c1Br)Br	0.68	1.0
Compound_1141	OCCS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)c1N=C3N=C(c4c3ccc(c4)S(=O)(=O)O)N=c3[nH]c(=NC4=NC(=Nc2[nH]1)c1cc(ccc41)S(=O)(=O)O)c1c3ccc(c1)S(=O)(=O)O	0.37	0.0
Compound_1142	OS(=O)(=O)c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2ccc(c1)S(=O)(=O)O	0.43	0.0
Compound_1143	OS(=O)(=O)c1ccc2c(c1)c1=NC3=NC(=NC4=NC(=Nc5[nH]c(N=c2[nH]1)c1ccccc51)c1c4c(ccc1)S(=O)(=O)O)c1c3cccc1	0.42	0.0
Compound_1144	N#CC(=C(N=Cc1c(O)ccc2c1cccc2)C#N)N=Cc1c(O)c(cc2c1cccc2)C(=O)O	0.24	0.0
Compound_1145	Oc1ccccc1C=NCCN(CCN=Cc1ccccc1O)CCN=Cc1ccccc1O	0.1	0.0
Compound_1146	OS(=O)(=O)c1cccc2c1C1N=C3N=C(c4c3cccc4)N=C3NC(N=C4N=C(N=C2N1)c1cccc(c41)S(=O)(=O)O)c1c3cccc1	0.48	0.0
Compound_1147	OS(=O)(=O)c1cccc2c1C1N=C3N=C(c4c3cccc4)N=C3NC(N=C4N=C(N=C2N1)c1cccc(c41)S(=O)(=O)O)c1c3cccc1	0.48	0.0
Compound_1148	Fc1nc(Nc2cccc(c2)NS(=O)(=O)c2cccc3c2C2=Nc4[nH]c(c5c4cccc5S(=O)(=O)O)N=C4N=C(N=c5[nH]c(=NC3=N2)c2c5cccc2S(=O)(=O)O)c2c4cccc2S(=O)(=O)O)c(c(n1)F)Cl	0.28	0.0
Compound_1149	N#CC(=C(N=Cc1ccccc1O)C#N)N=Cc1ccccc1O	0.48	0.0
Compound_1150	c1ccc2c(c1)C1=NC3=NC(=Nc4[nH]c(N=C5N=C(NC2=N1)c1ccccc51)c1c4cccc1)c1c3cccc1	0.65	1.0
Compound_1151	c1ccc(cc1)C1=NCCN1	0.06	0.0
Compound_1152	C1CN=C(O1)c1cccc(c1)C1=NCCO1	0.16	0.0
Compound_1153	c1ccc(cc1)C1=NCCO1	0.25	0.0
Compound_1154	ON=C(c1cc(CCCCCC(C)(C)C)ccc1O)C	0.28	0.0
Compound_1155	CC(=O)ON=Cc1ccc2c(c1)c(=O)c1c(s2)cccc1	0.54	1.0
Compound_1156	Cc1c(cccc1NC1=NC(=O)c2c1c(Cl)c(Cl)c(c2Cl)Cl)NC1=NC(=O)c2c1c(Cl)c(Cl)c(c2Cl)Cl	0.13	0.0
Compound_1157	CC1CN=C(N1)c1ccccc1	0.19	0.0
Compound_1158	CCCCc1ccc(cc1)N=Cc1ccc(cc1)OC	0.71	1.0
Compound_1159	CCCCCCCCCc1ccc(c(c1)C=NO)O	0.55	1.0
Compound_1160	CCCS(=O)(=O)ON=C(C(F)(F)F)c1ccc(cc1)OCCCOc1ccc(cc1)C(=NOS(=O)(=O)CCC)C(F)(F)F	0.41	0.0
Compound_1161	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	0.68	1.0
Compound_1162	NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N	0.35	0.0
Compound_1163	NC(=N)c1ccccc1	0.3	0.0
Compound_1164	Clc1ccccc1c1nc(c(n1C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1ccccc1Cl)c1ccccc1)c1ccccc1	0.32	0.0
Compound_1165	Clc1cccc2c1C1=NC2=NC2=NC(=NC3=NC(=Nc4[nH]c(N1)c1ccccc41)c1ccccc31)c1c2cccc1	0.66	1.0
Compound_1166	COC(=O)c1ccccc1N=Cc1ccc(c(c1)OC)O	0.45	0.0
Compound_1167	COc1ccc(cc1)C=Nc1ccccc1C(=O)OC	0.55	1.0
Compound_1168	COC(=O)c1ccccc1N=Cc1ccccc1	0.57	1.0
Compound_1169	N=C1NC(=N)c2c1cccc2	0.31	0.0
Compound_1170	c1ccc2c(c1)C1=NC2=Nc2[nH]c(c3c2cccc3)N=C2N=C(N=c3[nH]c(=N1)c1ccccc31)c1c2cccc1	0.65	1.0
Compound_1171	ClCCN(CN=C(c1cccc(c1)N(=O)=O)O)CCCl	0.51	1.0
Compound_1172	O=C1CC(=O)N=C(N1)c1ccccc1	0.24	0.0
Compound_1173	Oc1ccccc1C=Nc1cccc(c1)N=Cc1ccccc1O	0.6	1.0
Compound_1174	ON=C(C(=NO)c1ccccc1)c1ccccc1	0.53	1.0
Compound_1175	ON=C(C(c1ccccc1)O)c1ccccc1	0.53	1.0
Compound_1176	ON=Cc1ccc(cc1O)O	0.54	1.0
Compound_1177	ON=Cc1ccccc1O	0.59	1.0
Compound_1178	NC(=N)c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=N)N	0.35	0.0
Compound_1179	COc1cc(ccc1[n+]1nc(nn1c1ccccc1)c1ccccc1)c1ccc(c(c1)OC)[n+]1nc(nn1c1ccccc1)c1ccccc1	0.32	0.0
Compound_1180	c1ccc2c(c1)[I+]c1c2cccc1	0.94	1.0
Compound_1181	OS(=O)(=O)c1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	0.55	1.0
Compound_1182	OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)O)S(=O)(=O)O	0.55	1.0
Compound_1183	CCC(=Cc1oc2c([n+]1CCCS(=O)(=O)O)cc(cc2)c1ccccc1)C=c1oc2c(n1CCCS(=O)(=O)O)cc(cc2)c1ccccc1	0.2	0.0
Compound_1184	O=N(=O)c1ccccc1c1ccccc1	0.79	1.0
Compound_1185	Brc1cc2c3c4c1cccc4c(=O)c1c3c3c(c2=O)cccc3c(c1)Br	0.93	1.0
Compound_1186	Brc1ccc(cc1)c1ccc(cc1)Br	0.9	1.0
Compound_1187	Brc1ccc(cc1)c1ccccc1	0.9	1.0
Compound_1188	BrCC(=O)c1ccc(cc1)c1ccccc1	0.63	1.0
Compound_1189	BrCc1cccc(c1)c1ccccc1	0.71	1.0
Compound_1190	c1ccc(cc1)N(c1ccccc1)N=Cc1ccc2c3c1ccc1c3c(cc2)ccc1	0.68	1.0
Compound_1191	O1CC1COc1ccc(cc1)c1ccc(cc1)OCC1OC1	0.66	1.0
Compound_1192	CC=CCCc1ccc(cc1)c1ccc(cc1)C	0.7	1.0
Compound_1193	c1ccc2c(c1)c(c1ccccc1)c1c(c2c2ccccc2)cccc1	0.81	1.0
Compound_1194	c1ccc(cc1)c1cc(cc(c1)c1ccccc1)c1ccccc1	0.52	1.0
Compound_1195	c1ccc(cc1)c1cccc(c1)c1cccc(c1)c1ccccc1	0.52	1.0
Compound_1196	c1cc(cc(c1)c1ccccc1)c1ccccc1	0.52	1.0
Compound_1197	c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1	0.52	1.0
Compound_1198	c1ccc(cc1)c1ccc(cc1)c1ccccc1	0.52	1.0
Compound_1199	c1ccc(cc1)c1ccccc1	0.52	1.0
Compound_1200	c1ccc(cc1)c1ccccc1c1ccccc1	0.71	1.0
Compound_1201	c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3	0.99	1.0
Compound_1202	c1ccc2c(c1)c1c2cccc1	0.99	1.0
Compound_1203	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	0.99	1.0
Compound_1204	c1ccc2c(c1)c1ccccc1cc2	0.99	1.0
Compound_1205	c1ccc2c(c1)c1cccc3c1c2ccc3	0.99	1.0
Compound_1206	c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2	0.99	1.0
Compound_1207	c1cc2ccc3c4c2c(c1)ccc4ccc3	0.99	1.0
Compound_1208	c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3	0.99	1.0
Compound_1209	c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4	0.99	1.0
Compound_1210	O=C(C(=C)C)Oc1ccc(cc1)c1ccc(cc1)OC(=O)C(=C)C	0.69	1.0
Compound_1211	CC(=O)c1ccc(cc1)c1ccccc1	0.54	1.0
Compound_1212	O=C(Nc1ccc(cc1C)c1ccc(c(c1)C)NC(=O)CC(=O)C)CC(=O)C	0.31	0.0
Compound_1213	CC(=O)Oc1ccc(cc1)c1ccc(cc1)Br	0.75	1.0
Compound_1214	Cc1oc2c([n+]1CCCCS(=O)(=O)[O-])cc(cc2)c1ccccc1	0.28	0.0
Compound_1215	Cc1ccc(cc1C)N(c1ccc(c(c1)C)C)c1ccc(cc1)c1ccccc1	0.64	1.0
Compound_1216	O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1	0.18	0.0
Compound_1217	Cc1cc(c2c(c1N)cccc2)c1cc(C)c(c2c1cccc2)N	0.87	1.0
Compound_1218	Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N	0.9	1.0
Compound_1219	Cc1cc(cc(c1OCC1OC1)C)c1cc(C)c(c(c1)C)OCC1OC1	0.54	1.0
Compound_1220	Cc1cccc(c1)N(c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1cccc(c1)C)c1ccccc1	0.71	1.0
Compound_1221	Nc1ccc(cc1C)c1ccc(c(c1)C)N	0.93	1.0
Compound_1222	Nc1ccc(c(c1)C)c1ccc(cc1C)N	0.92	1.0
Compound_1223	Nc1ccc(c(c1)C)c1ccc(cc1C)N	0.92	1.0
Compound_1224	Cc1ccc(cc1)c1ccccc1	0.64	1.0
Compound_1225	Cc1ccc(cc1)Oc1ccc(cc1)c1ccccc1	0.69	1.0
Compound_1226	Cc1cccc(c1OP(=O)(Oc1c(C)cccc1C)Oc1ccc(cc1)c1ccc(cc1)OP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C)C	0.88	1.0
Compound_1227	Cc1oc2c(n1)cc(cc2)c1ccccc1	0.77	1.0
Compound_1228	CCc1ccccc1c1ccccc1	0.83	1.0
Compound_1229	CCc1c(ccc(c1CC)CC)c1ccccc1	0.81	1.0
Compound_1230	CCc1ccc(c(c1)F)c1ccc(cc1)CCc1ccc(cc1)Cl	0.89	1.0
Compound_1231	CCc1ccc(cc1)c1cc(F)c(cc1F)c1ccc(cc1)CC	0.85	1.0
Compound_1232	CCc1ccc(cc1)c1ccc(c(c1)F)c1cc(F)c(c(c1)F)F	0.9	1.0
Compound_1233	CCc1ccc(cc1)c1ccc(cc1)I	0.94	1.0
Compound_1234	CCc1ccc(cc1)c1ccccc1	0.69	1.0
Compound_1235	CCCc1ccc(c(c1)F)c1ccc(cc1)c1ccc(cc1)CC	0.87	1.0
Compound_1236	CCCc1ccc(c(c1)F)c1ccc(c(c1)F)c1ccc(cc1)Cl	0.87	1.0
Compound_1237	CCCc1ccc(cc1)c1ccc(c(c1F)F)OCC	0.84	1.0
Compound_1238	CCCc1ccc(cc1)c1ccc(cc1F)c1ccc(cc1F)F	0.84	1.0
Compound_1239	CCCc1ccc(cc1)c1ccc(c(c1)F)B(O)O	0.68	1.0
Compound_1240	CCCc1ccc(cc1)c1ccc(c(c1)F)c1cc(F)c(c(c1)F)F	0.88	1.0
Compound_1241	CCCc1ccc(cc1)c1ccc(c(c1)F)c1ccc(cc1)CC	0.87	1.0
Compound_1242	CCCc1ccc(cc1)c1cc(F)c(cc1F)c1ccc(cc1)CCC	0.87	1.0
Compound_1243	CCCc1ccc(cc1)c1ccc(c(c1F)F)c1ccc(cc1)CC	0.9	1.0
Compound_1244	CCCc1ccc(cc1)c1ccc(cc1)C#Cc1c(F)cc(cc1F)CC	0.86	1.0
Compound_1245	CCCc1ccc(cc1)c1ccccc1	0.78	1.0
Compound_1246	CCCc1cnc(nc1)c1ccc(cc1)c1ccc(cc1)F	0.62	1.0
Compound_1247	CCCCc1cc(F)c(c(c1)F)C#Cc1ccc(cc1)c1ccc(cc1)CCC	0.82	1.0
Compound_1248	CCCCc1ccc(cc1)c1ccc(c(c1F)F)c1ccc(cc1)CC	0.84	1.0
Compound_1249	CCCCc1ccc(cc1)c1ccc(cc1)C(=O)O	0.66	1.0
Compound_1250	CCCCc1ccc(cc1)c1ccc(cc1)I	0.81	1.0
Compound_1251	CCCCc1ccc(cc1)c1ccccc1	0.65	1.0
Compound_1252	CCCCc1cnc(nc1)c1ccc(cc1)c1ccc(cc1)F	0.57	1.0
Compound_1253	CCCCCc1ccc(c(c1)F)c1ccc(cc1)CCc1ccc(cc1)Cl	0.82	1.0
Compound_1254	CCCCCc1ccc(c(c1)F)c1ccc(c(c1)F)c1ccc(cc1)Cl	0.82	1.0
Compound_1255	CCCCCc1ccc(cc1)c1ccc(c(c1F)F)OCC	0.73	1.0
Compound_1256	CCCCCc1ccc(cc1)c1ccc(c(c1)F)B(O)O	0.65	1.0
Compound_1257	CCCCCc1ccc(cc1)c1ccc(c(c1)F)c1cc(F)c(c(c1)F)F	0.81	1.0
Compound_1258	CCCCCc1ccc(cc1)c1ccc(cc1)C	0.7	1.0
Compound_1259	CCCCCc1ccc(cc1)c1ccc(cc1)C(=O)O	0.71	1.0
Compound_1260	CCCCCc1ccc(cc1)c1ccc(cc1F)c1ccc(cc1F)F	0.79	1.0
Compound_1261	CCCCCc1ccc(cc1)c1ccc(cc1F)c1ccc(cc1F)Cl	0.82	1.0
Compound_1262	CCCCCc1ccc(cc1)c1ccc(cc1)I	0.84	1.0
Compound_1263	CCCCCc1ccc(cc1)c1ccc(cc1)OC	0.53	1.0
Compound_1264	CCCCCc1ccc(cc1)c1ccccc1	0.71	1.0
Compound_1265	CCCCCc1cnc(nc1)c1ccc(cc1)c1ccc(cc1)F	0.55	1.0
Compound_1266	CCCCCCc1ccc(cc1)c1ccccc1	0.78	1.0
Compound_1267	CCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)O	0.72	1.0
Compound_1268	CCCCCCCc1ccc(cc1)c1ccccc1	0.78	1.0
Compound_1269	CCCCCOc1ccc(cc1)c1ccccc1	0.74	1.0
Compound_1270	CCC(=Cc1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)Cl)C=c1oc2c(n1CCC(S(=O)(=O)O)C)cc(cc2)c1ccccc1	0.27	0.0
Compound_1271	CCn1nc2c3c1c1ccccc1c(=O)c3ccc2c1ccc2c3c1nn(c3c1c(c2=O)cccc1)CC	0.31	0.0
Compound_1272	Nc1ccc(cc1C)c1ccc(c(c1)C)N	0.93	1.0
Compound_1273	Nc1ccc(cc1)c1ccc(cc1)N	0.94	1.0
Compound_1274	Nc1ccc(cc1)c1ccc(cc1)N	0.94	1.0
Compound_1275	Clc1ccc(cc1)c1ccccc1	0.79	1.0
Compound_1276	ClCc1ccc(cc1)c1ccc(cc1)CCl	0.73	1.0
Compound_1277	CN(CCOCCS(=O)(=O)c1ccc(cc1c1ccc(cc1)Cl)N1CCC=N1)C	0.19	0.0
Compound_1278	COC(=O)c1ccccc1c1ccc(cc1)C	0.67	1.0
Compound_1279	COC(=O)c1ccccc1c1ccc(cc1)CBr	0.75	1.0
Compound_1280	COc1ccc2c(c1)c1ccccc1o2	0.77	1.0
Compound_1281	COc1nc(OC)nc(n1)c1ccc2c3c1ccc1c3c(cc2)ccc1	0.37	0.0
Compound_1282	COCc1ccc(cc1)c1ccc(cc1)COC	0.79	1.0
Compound_1283	Brc1ccc(c(c1)F)c1cc(F)c(c(c1)F)F	0.95	1.0
Compound_1284	Fc1ccccc1c1ccccc1	0.84	1.0
Compound_1285	Ic1ccc(cc1)c1ccc(cc1)I	0.89	1.0
Compound_1286	Ic1ccc(cc1)c1ccccc1	0.89	1.0
Compound_1287	c1ccc(cc1)Nc1ccc(cc1)c1ccc(cc1)Nc1ccccc1	0.94	1.0
Compound_1288	c1ccc2c(c1)[nH]c1c2cccc1	0.98	1.0
Compound_1289	OC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)O)N	0.23	0.0
Compound_1290	Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)N	0.86	1.0
Compound_1291	Nc1ccccc1c1ccccc1	0.91	1.0
Compound_1292	Nc1ccc(c(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)N	0.78	1.0
Compound_1293	Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N	0.74	1.0
Compound_1294	Nc1ccc(cc1)c1ccc(cc1)Cl	0.88	1.0
Compound_1295	Nc1ccc(cc1)c1ccccc1	0.92	1.0
Compound_1296	Nc1ccc(c2c1cccc2)c1ccc(c2c1cccc2)N	0.85	1.0
Compound_1297	Nc1cccc(c1)Oc1ccc(cc1)c1ccc(cc1)Oc1cccc(c1)N	0.73	1.0
Compound_1298	Nc1ccccc1c1cc(F)c(c(c1)F)F	0.88	1.0
Compound_1299	O=C(Nc1ccccc1c1ccccc1)OC1CCNCC1	0.09	0.0
Compound_1300	O=C1C(=O)c2ccccc2c2c1cccc2	0.85	1.0
Compound_1301	O=C1C=CC(=Nc2ccc3c(c2)c2ccccc2[nH]3)C=C1	0.51	1.0
Compound_1302	O=c1c2ccccc2c2c3c1ccc1c3c(cc2)sc2c1cccc2	0.93	1.0
Compound_1303	O=C1OC(=O)c2c1cc(cc2)c1ccc2c(c1)C(=O)OC2=O	0.58	1.0
Compound_1304	O=C1OC(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)C(=O)OC1=O	0.59	1.0
Compound_1305	O=Cc1ccc(cc1)c1ccccc1	0.54	1.0
Compound_1306	c1ccc(cc1)c1ccc(cc1)c1nnc(o1)c1ccccc1	0.57	1.0
Compound_1307	c1ccc2c(c1)oc1c2cccc1	0.97	1.0
Compound_1308	OC(=O)c1cc(ccc1C(=O)O)c1ccc(c(c1)C(=O)O)C(=O)O	0.73	1.0
Compound_1309	OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)O	0.57	1.0
Compound_1310	Oc1ccc(cc1)c1ccc(cc1)C(=O)O	0.79	1.0
Compound_1311	OC(=O)c1ccccc1c1ccccc1C(=O)O	0.61	1.0
Compound_1312	OC(=O)Cc1ccc(cc1)c1ccccc1	0.68	1.0
Compound_1313	Oc1ccc(cc1)c1ccc(cc1)F	0.92	1.0
Compound_1314	Oc1ccc(cc1)c1ccc(cc1)O	0.92	1.0
Compound_1315	Oc1ccc(cc1)c1ccccc1	0.62	1.0
Compound_1316	c1ccc2c(c1)sc1c2cccc1	1.0	1.0
Compound_1317	CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)Cc1[nH]cnc1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCNC(=N)N)Cc1ccc(cc1)O)C	0.06	0.0
Compound_1318	O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)C1CCCCC1	0.05	0.0
Compound_1319	C=CCCCCCCCCC(=O)NC(C(=O)O)Cc1ccccc1	0.06	0.0
Compound_1320	O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C	0.21	0.0
Compound_1321	O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C	0.21	0.0
Compound_1322	C[N+](c1cccc(c1)S(=O)(=O)O)(Cc1cccc(c1)S(=O)(=O)O)C	0.4	0.0
Compound_1323	CCN(c1ccc(cc1)S(=O)(=O)O)CC	0.6	1.0
Compound_1324	CCN(c1cccc(c1)S(=O)(=O)O)CC	0.6	1.0
Compound_1325	CN(c1ccc(cc1)S(=O)(=O)O)C	0.66	1.0
Compound_1326	CCN(c1ccc2c(c1)oc1c(n2)ccc(=[N+](CC)CC)c1)CC	0.23	0.0
Compound_1327	CN(c1ccc2c(c1)n(c1ccccc1)c1c(n2)cc(c(=O)c1)C)C	0.07	0.0
Compound_1328	C=CCN1c2ccccc2C(=O)C1=O	0.37	0.0
Compound_1329	CC(=O)OCCN(c1cccc(c1)NC(=O)C)CCOC(=O)C	0.15	0.0
Compound_1330	OCCN(c1cccc(c1)NC(=O)C)CCO	0.11	0.0
Compound_1331	CC(=O)N(c1ccccc1)CCOC(=O)C	0.33	0.0
Compound_1332	CC(=O)OCCN(c1cccc(c1)C)CCOC(=O)C	0.4	0.0
Compound_1333	CC(=O)OCCN(c1cccc(c1)NC(=O)c1ccccc1)CCOC(=O)C	0.09	0.0
Compound_1334	CC(=O)OCCN(c1ccccc1)CCOC(=O)C	0.39	0.0
Compound_1335	Fc1ccc(c(c1)F)N(C(=O)n1cnn(c1=O)c1ccc(cc1Cl)Cl)C(C)C	0.22	0.0
Compound_1336	Cc1ccc(cc1)N(=O)(C)C	0.71	1.0
Compound_1337	OCCN(c1cccc(c1)C)CCO	0.35	0.0
Compound_1338	OCCN(c1ccccc1C)CCO	0.34	0.0
Compound_1339	CCN(c1ccccc1)C(=O)C	0.62	1.0
Compound_1340	CCN(c1ccccc1C)C(=O)C	0.62	1.0
Compound_1341	O=C=Nc1ccc(c(c1)N(C(=O)Cl)CC)C	0.54	1.0
Compound_1342	CCC(=O)Nc1cccc(c1)N(CC)CC	0.32	0.0
Compound_1343	CCN(c1cccc(c1)NC(=O)C)CC	0.55	1.0
Compound_1344	CCN(c1cccc(c1)C(=O)Nc1ccccc1)CC	0.45	0.0
Compound_1345	CCN(c1cccc(c1)C)CC	0.75	1.0
Compound_1346	CCN(c1cccc(c1)O)CC	0.53	1.0
Compound_1347	CCN(c1ccccc1)CC	0.74	1.0
Compound_1348	CCN(c1cccc2c1cccc2)CC	0.51	1.0
Compound_1349	CCN(c1ccc2c(c1)n(c1ccccc1)c1c(n2)ccc(=N)c1)CC	0.1	0.0
Compound_1350	CCN(c1cccc(c1)C)Cc1cccc(c1)S(=O)(=O)O	0.5	0.0
Compound_1351	CCN(c1ccccc1)Cc1cccc(c1)S(=O)(=O)O	0.51	1.0
Compound_1352	CCN(c1cccc(c1)C)Cc1ccccc1	0.56	1.0
Compound_1353	CCN(c1ccccc1)Cc1ccccc1	0.56	1.0
Compound_1354	ClCCN(c1ccccc1)CC	0.44	0.0
Compound_1355	CCN(c1ccccc1)CCN(C)C	0.28	0.0
Compound_1356	OCCN(c1cccc(c1)C)CC	0.32	0.0
Compound_1357	OCCN(c1ccccc1)CC	0.33	0.0
Compound_1358	CCN(c1ccccc1)CCOCCN(c1ccccc1)CC	0.24	0.0
Compound_1359	CCOC(=O)CN(c1ccc(cc1Br)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)CC(=O)OCC	0.18	0.0
Compound_1360	CCOc1ccccc1c1cc(cc(n1)c1ccccc1OCC)c1ccc(cc1)N(C)C	0.15	0.0
Compound_1361	CCN(c1ccc2c(c1)oc1c(n2)ccc(=Nc2ccccc2)c1)CC	0.22	0.0
Compound_1362	Cc1ccccc1N1CN(CN(C1)c1ccccc1C)c1ccccc1C	0.24	0.0
Compound_1363	CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C	0.2	0.0
Compound_1364	N=c1ccc2c(c1)sc1c(n2)ccc(c1)N(C)C	0.13	0.0
Compound_1365	CN(c1cc2oc3cc(=N)c(cc3nc2cc1C)C)C	0.16	0.0
Compound_1366	N=NC1Sc2c(N1C)cccc2	0.38	0.0
Compound_1367	N=NC1Sc2c(N1C)cccc2	0.38	0.0
Compound_1368	CN(c1ccccc1)C(=O)C	0.68	1.0
Compound_1369	CN(c1ccccc1C)C	0.71	1.0
Compound_1370	CN(c1ccc(cc1)Br)C	0.71	1.0
Compound_1371	Cc1ccc(cc1)N(C)C	0.69	1.0
Compound_1372	CN(c1ccc(cc1)C(=O)C)C	0.69	1.0
Compound_1373	CN(c1ccc(cc1)c1cc(nc(c1)c1ccccc1)c1ccccc1)C	0.36	0.0
Compound_1374	O=Cc1ccc(cc1)N(C)C	0.72	1.0
Compound_1375	OCCc1ccc(cc1)N(C)C	0.49	0.0
Compound_1376	CN(c1ccccc1)C	0.7	1.0
Compound_1377	CN(c1cccc2c1c(ccc2)N(C)C)C	0.64	1.0
Compound_1378	CN(c1ccccc1)Cc1ccccc1	0.44	0.0
Compound_1379	ClCCN(c1ccc(cc1)C=O)C	0.33	0.0
Compound_1380	OCCN(c1ccc(cc1)C)C	0.26	0.0
Compound_1381	OCCN(c1ccccc1)C	0.27	0.0
Compound_1382	N#CC(=CN1C(C)Cc2c1cccc2)C(=O)OC	0.21	0.0
Compound_1383	COC(=O)c1ccccc1N(C)C	0.59	1.0
Compound_1384	COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C	0.78	1.0
Compound_1385	COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C	0.78	1.0
Compound_1386	OCCN(c1cccc(c1)Cl)CCO	0.38	0.0
Compound_1387	OCCN(c1cccc(c1)NC(=O)c1ccccc1)CCO	0.06	0.0
Compound_1388	OCCN(c1ccccc1)CCO	0.34	0.0
Compound_1389	OS(=O)(=O)c1ccc(cc1)Nc1ccccc1	0.65	1.0
Compound_1390	OS(=O)(=O)c1ccc(cc1)Nc1ccccc1	0.65	1.0
Compound_1391	OS(=O)(=O)c1ccc(cc1)Nc1ccccc1	0.65	1.0
Compound_1392	OS(=O)(=O)c1ccccc1Nc1ccccc1	0.66	1.0
Compound_1393	c1ccc(cc1)N(c1ccccc1)c1ccccc1	0.72	1.0
Compound_1394	c1ccc(cc1)Nc1ccccc1	0.99	1.0
Compound_1395	c1ccc(cc1)Nc1ccccc1	0.99	1.0
Compound_1396	Cc1ccc(cc1C)Nc1ccc(c(c1)C)C	0.92	1.0
Compound_1397	COc1cccc(c1)Nc1ccccc1	0.83	1.0
Compound_1398	O=CN(c1ccccc1)c1ccccc1	0.68	1.0
Compound_1399	OS(=O)(=O)c1ccc(cc1)Nc1ccc(cc1)S(=O)(=O)O	0.72	1.0
Compound_1400	OC(C[N+](C)(C)C)COc1cc2c(c(c1C)C)sc1c(c2=O)cccc1	0.16	0.0
Compound_1401	CCOc1ccc(cc1)C=O	0.9	1.0
Compound_1402	OP(=O)(OCCOc1ccccc1)O	0.69	1.0
Compound_1403	OC(=O)COc1ccc(cc1C)Cl	0.62	1.0
Compound_1404	OC(=O)COc1ccc(cc1C)Cl	0.62	1.0
Compound_1405	C=CCOc1c(Br)cc(cc1Br)Br	0.77	1.0
Compound_1406	Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br	0.82	1.0
Compound_1407	C(Oc1ccccc1)COc1ccccc1	0.78	1.0
Compound_1408	C=CCOc1ccccc1	0.71	1.0
Compound_1409	C=CCOc1ccccc1C=O	0.79	1.0
Compound_1410	CC(=O)Oc1ccccc1	0.9	1.0
Compound_1411	CC(=O)Oc1ccccc1C	0.82	1.0
Compound_1412	CC(=O)Oc1ccccc1C(=O)O	0.32	0.0
Compound_1413	CC(=O)Oc1cccc(c1)OC(=O)C	0.49	0.0
Compound_1414	CC(=O)Oc1ccc(cc1)C	0.87	1.0
Compound_1415	CC(=O)Oc1ccc(cc1)C(=O)O	0.66	1.0
Compound_1416	CC(=O)Oc1ccc2c(c1)ccc(c2)C(=O)O	0.49	0.0
Compound_1417	CC(=O)Oc1cccc(c1)O	0.74	1.0
Compound_1418	CC(=O)Oc1ccc2c(c1)cccc2	0.67	1.0
Compound_1419	CC(Oc1ccc(cc1)Cl)(C)C	0.83	1.0
Compound_1420	CC(COc1ccc2c(c1)cccc2)C	0.89	1.0
Compound_1421	CC(Oc1cccc(c1)N)C	0.76	1.0
Compound_1422	OCC(Oc1ccccc1)C	0.83	1.0
Compound_1423	O=C(C(O)C)Oc1ccc2c(c1)cccc2	0.45	0.0
Compound_1424	CC(COc1ccccc1)O	0.87	1.0
Compound_1425	OC(=O)C(Oc1ccc(cc1C)Cl)C	0.83	1.0
Compound_1426	OC(=O)C(Oc1ccc(cc1C)Cl)C	0.83	1.0
Compound_1427	OC(COc1cccc(c1C)C)COc1cccc(c1C)C	0.55	1.0
Compound_1428	O=C(Oc1cccc(c1)C)Cc1ccccc1	0.72	1.0
Compound_1429	OCCOc1cccc(c1)C	0.76	1.0
Compound_1430	Cc1cccc(c1)OCCOc1cccc(c1)C	0.74	1.0
Compound_1431	O=C(Cc1ccccc1)Oc1ccc(cc1)C	0.72	1.0
Compound_1432	O=CCOc1ccc(cc1)C	0.76	1.0
Compound_1433	OCCOc1ccc(cc1)C	0.76	1.0
Compound_1434	O=C1COc2c(OC1)ccc(c2)C	0.57	1.0
Compound_1435	CCC(=O)Oc1ccc(cc1)C	0.86	1.0
Compound_1436	CCc1ccc(cc1)OC(=O)C	0.89	1.0
Compound_1437	CCCCCCc1cnc(nc1)c1ccc(cc1)OCC	0.46	0.0
Compound_1438	CCCOc1ccc(cc1)C(=O)O	0.98	1.0
Compound_1439	CCCOc1ccccc1	0.85	1.0
Compound_1440	CCOc1ccccc1C=O	0.84	1.0
Compound_1441	CCOc1cc(C=O)ccc1O	0.71	1.0
Compound_1442	CCOc1cc(COC(C)C)ccc1O	0.66	1.0
Compound_1443	COCc1ccc(c(c1)OCC)O	0.57	1.0
Compound_1444	CCOc1ccccc1O	0.67	1.0
Compound_1445	CCOc1cc(C)ccc1O	0.7	1.0
Compound_1446	CCOc1cccc(c1)S	0.85	1.0
Compound_1447	CCOc1ccc(cc1)Br	0.9	1.0
Compound_1448	CCOc1ccc(cc1)C	0.85	1.0
Compound_1449	CCOc1ccc(cc1)C#Cc1ccc(cc1)C	0.81	1.0
Compound_1450	CCOc1ccc(cc1)C(=O)C	0.87	1.0
Compound_1451	CCOc1ccc(cc1)C(=O)O	0.96	1.0
Compound_1452	CCOc1ccc(cc1)n1[nH]nnc1=S	0.49	0.0
Compound_1453	CCOc1ccc(cc1)CC(=O)O	0.9	1.0
Compound_1454	CCOc1cccc(c1)N	0.78	1.0
Compound_1455	CCOc1ccccc1	0.89	1.0
Compound_1456	CCOc1ccccc1C(=O)O	0.8	1.0
Compound_1457	CCOc1ccc2c(c1)cccc2	0.89	1.0
Compound_1458	COc1cc(C=O)ccc1OC(=O)C(C)C	0.61	1.0
Compound_1459	COc1ccccc1OC(=O)Cc1ccccc1	0.68	1.0
Compound_1460	COc1cc(C=O)ccc1OC(=O)C	0.69	1.0
Compound_1461	C=CCOc1ccccc1OC	0.45	0.0
Compound_1462	COc1cc(C)ccc1OC(=O)C	0.64	1.0
Compound_1463	COc1ccccc1OC(=O)C	0.7	1.0
Compound_1464	NCCNCCNCCNCC(COc1ccccc1)O	0.13	0.0
Compound_1465	O=CCOc1ccccc1	0.81	1.0
Compound_1466	OC(=O)COc1ccc(cc1)Cl	0.87	1.0
Compound_1467	OC(=O)COc1ccccc1	0.82	1.0
Compound_1468	OC(=O)COc1ccc2c(c1)cccc2	0.69	1.0
Compound_1469	Oc1cccc2c1OCCO2	0.75	1.0
Compound_1470	OCC(COc1ccc(cc1)Cl)O	0.46	0.0
Compound_1471	OCCOc1c(Br)cc(cc1Br)Br	0.68	1.0
Compound_1472	OCCOc1ccccc1O	0.68	1.0
Compound_1473	OCCOc1ccccc1	0.74	1.0
Compound_1474	OCC1OC(Oc2cc(O)c3c(c2)OC(CC3=O)c2ccc(cc2)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O	0.41	0.0
Compound_1475	CCC1CCC(CC1)c1ccc(c(c1)F)C(=O)Oc1ccc(cc1)OC(F)(F)F	0.71	1.0
Compound_1476	c1ccc(c(c1)COc1ccccc1)COc1ccccc1	0.92	1.0
Compound_1477	c1ccc(cc1)COc1ccc2c(c1)cccc2	0.91	1.0
Compound_1478	O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.69	1.0
Compound_1479	O=C(c1ccccc1O)Oc1ccc(cc1)C(C)(C)C	0.65	1.0
Compound_1480	OC(=O)C(Cc1ccc(cc1)OCc1c(Cl)cccc1Cl)NC(=O)OC(C)(C)C	0.11	0.0
Compound_1481	Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)OC(=O)c1ccc(cc1)C(=O)Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(C)cc(c1O)C(C)(C)C	0.61	1.0
Compound_1482	Cc1ccc(cc1)OC(=O)c1ccccc1O	0.67	1.0
Compound_1483	Cc1ccc(cc1)OC(=O)c1ccccc1	0.68	1.0
Compound_1484	Cc1ccc(cc1)OCc1ccccc1	0.8	1.0
Compound_1485	O=C(c1ccccc1)Oc1ccccc1C	0.8	1.0
Compound_1486	CCCC1CCC(CC1)c1ccc(c(c1)F)C(=O)Oc1ccc(cc1)OC(F)(F)F	0.78	1.0
Compound_1487	CCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)CCC	0.71	1.0
Compound_1488	CCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.78	1.0
Compound_1489	CCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.83	1.0
Compound_1490	CCc1ccc(cc1)c1cc(F)c(c(c1)F)C(Oc1cc(F)c(c(c1)F)F)(F)F	0.9	1.0
Compound_1491	CCc1ccc(cc1)OC(=O)c1ccc(cc1)OC	0.63	1.0
Compound_1492	CCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.64	1.0
Compound_1493	CCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.78	1.0
Compound_1494	CCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)Cl)C#N	0.79	1.0
Compound_1495	CCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.69	1.0
Compound_1496	CCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.78	1.0
Compound_1497	CCCc1ccc(cc1)c1cc(F)c(c(c1)F)C(Oc1cc(F)c(c(c1)F)F)(F)F	0.85	1.0
Compound_1498	CCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C(=O)Oc1ccc(cc1)C	0.64	1.0
Compound_1499	CCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C(=O)Oc1ccc(cc1)F	0.66	1.0
Compound_1500	CCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.66	1.0
Compound_1501	CCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)F	0.76	1.0
Compound_1502	CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.78	1.0
Compound_1503	CCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.67	1.0
Compound_1504	CCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.76	1.0
Compound_1505	CCCCc1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)CCCC	0.6	1.0
Compound_1506	CCCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.66	1.0
Compound_1507	CCCCCc1ccc(cc1)C(=O)Oc1cc(F)c(c(c1)F)C#N	0.64	1.0
Compound_1508	CCCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.64	1.0
Compound_1509	CCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.75	1.0
Compound_1510	CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)C	0.67	1.0
Compound_1511	CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)C1CCC(CC1)CCC	0.65	1.0
Compound_1512	CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)CCC	0.67	1.0
Compound_1513	CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)CCCCC	0.67	1.0
Compound_1514	CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)OC	0.67	1.0
Compound_1515	CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.64	1.0
Compound_1516	CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_1517	CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)CCC	0.65	1.0
Compound_1518	CCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.8	1.0
Compound_1519	CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.66	1.0
Compound_1520	CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.8	1.0
Compound_1521	CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)CCC	0.67	1.0
Compound_1522	CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)CCCCC	0.67	1.0
Compound_1523	CCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_1524	CCCCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)CCCCCCC	0.67	1.0
Compound_1525	CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)OC(CCCCCC)C	0.7	1.0
Compound_1526	CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)OC(CCCCCC)C	0.7	1.0
Compound_1527	CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)OC(CCCCCC)C	0.7	1.0
Compound_1528	CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)CCCCC	0.8	1.0
Compound_1529	CCCCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)CCCCC	0.8	1.0
Compound_1530	CCCCCOCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.65	1.0
Compound_1531	CCCCOCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.71	1.0
Compound_1532	CCCOCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.67	1.0
Compound_1533	CCOC(=O)c1ccc(cc1)OCc1ccccc1	0.77	1.0
Compound_1534	CCOCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N	0.74	1.0
Compound_1535	CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC	0.3	0.0
Compound_1536	COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O	0.15	0.0
Compound_1537	COc1cc(ccc1O)C1Oc2cc(O)cc(c2C(=O)C1=O)O	0.91	1.0
Compound_1538	N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1ccc(cc1)Cl)C#N	0.66	1.0
Compound_1539	C=CCc1ccc(c(c1)OC)OCc1ccccc1	0.65	1.0
Compound_1540	CC=Cc1ccc(c(c1)OC)OC(=O)c1ccccc1	0.63	1.0
Compound_1541	CC=Cc1ccc(c(c1)OC)OCc1ccccc1	0.73	1.0
Compound_1542	COc1ccc(cc1)C(=O)Oc1ccc(cc1)C	0.59	1.0
Compound_1543	C=CCCc1ccc(cc1)C(=O)Oc1cc(F)c(c(c1)F)C#N	0.73	1.0
Compound_1544	O=C(c1ccccc1N)Oc1ccc2c(c1)cccc2	0.56	1.0
Compound_1545	Oc1cc2OC(c3ccc(c(c3)O)O)C(=O)C(=O)c2c(c1)O	0.94	1.0
Compound_1546	Oc1cc2OC(c3cc(O)c(c(c3)O)O)C(Cc2c(c1)O)O	0.26	0.0
Compound_1547	Oc1cc2OC(c3ccc(c(c3)O)O)C(Cc2c(c1)O)O	0.26	0.0
Compound_1548	O=C(c1ccccc1)Oc1cccc(c1)OC(=O)c1ccccc1	0.55	1.0
Compound_1549	O=C(c1ccccc1)Oc1ccc2c(c1)cccc2	0.85	1.0
Compound_1550	O=C(c1ccccc1)Oc1ccccc1	0.93	1.0
Compound_1551	O=C(c1ccc(cc1)OCc1ccccc1)OCc1ccccc1	0.91	1.0
Compound_1552	O=C(c1ccccc1)Oc1ccc(cc1)C(=O)O	0.7	1.0
Compound_1553	O=C(c1ccccc1O)Oc1ccccc1	0.67	1.0
Compound_1554	O=C1Oc2ccccc2C(=O)C1C1CC(Cc2c1cccc2)c1ccc(cc1)OCc1ccc(cc1)C(F)(F)F	0.63	1.0
Compound_1555	Oc1ccc(c(c1)O)C1Oc2cc(O)cc(c2C(=O)C1=O)O	0.97	1.0
Compound_1556	Oc1cccc(c1)OC(=O)c1ccccc1	0.75	1.0
Compound_1557	Oc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1=O)O	0.97	1.0
Compound_1558	Oc1ccc(cc1)OCc1ccccc1	0.96	1.0
Compound_1559	Oc1cc2OC(c3ccc(c(c3)O)O)C(=O)C(=O)c2c(c1)O	0.94	1.0
Compound_1560	c1ccc(cc1)[S](c1ccccc1)c1ccccc1	0.82	1.0
Compound_1561	c1ccc(cc1)[S](c1ccccc1)c1ccccc1	0.82	1.0
Compound_1562	c1ccc(cc1)[S](c1ccccc1)c1ccccc1	0.82	1.0
Compound_1563	c1ccc(cc1)[S](c1ccccc1)c1ccccc1	0.82	1.0
Compound_1564	c1ccc(cc1)[S](c1ccccc1)c1ccccc1	0.82	1.0
Compound_1565	O=S(=O)(c1cccc(c1)S(=O)(=O)O)c1cccc(c1)S(=O)(=O)O	0.52	1.0
Compound_1566	O=S(=O)(c1cccc(c1)S(=O)(=O)O)c1ccccc1	0.5	0.0
Compound_1567	O=N(=O)c1ccccc1S(=O)(=O)c1ccccc1	0.74	1.0
Compound_1568	Clc1ccc(cc1)Sc1ccccc1N(=O)=O	0.52	1.0
Compound_1569	O=N(=O)c1ccccc1Sc1ccccc1	0.73	1.0
Compound_1570	Oc1ccccc1S(=O)(=O)c1ccccc1O	0.77	1.0
Compound_1571	CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1S(=O)(=O)N)N(=O)=O	0.49	0.0
Compound_1572	OC(=O)C(c1ccc2c(c1)CC(=O)c1c(S2)cccc1)C	0.53	1.0
Compound_1573	CC(c1ccc(cc1)Sc1ccccc1)(C)C	0.84	1.0
Compound_1574	Cc1c(C)cccc1S(=O)(=O)c1cccc(c1C)C	0.85	1.0
Compound_1575	Cc1ccc(cc1C)S(=O)(=O)c1ccc(c(c1)C)C	0.85	1.0
Compound_1576	Cc1ccc(c(c1)C)S(=O)(=O)c1ccc(cc1C)C	0.85	1.0
Compound_1577	Cc1cc(C)c(c(c1)C)Sc1ccccc1	0.83	1.0
Compound_1578	Cc1cc(Sc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O	0.54	1.0
Compound_1579	Cc1ccc(cc1)Sc1ccc(cc1)C(=O)c1ccccc1	0.63	1.0
Compound_1580	Cc1ccc(cc1)Sc1ccccc1	0.82	1.0
Compound_1581	Cc1ccccc1Sc1ccccc1	0.88	1.0
Compound_1582	CCCCCCC(=NOC(=O)c1ccccc1)C(=O)c1ccc(cc1)Sc1ccccc1	0.49	0.0
Compound_1583	Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl	0.95	1.0
Compound_1584	Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl	0.89	1.0
Compound_1585	Clc1ccc(cc1)S(=O)c1ccc(cc1)Cl	0.72	1.0
Compound_1586	Clc1ccc(cc1)Sc1ccc(cc1)Cl	0.61	1.0
Compound_1587	Clc1ccc2c(c1)Nc1c(S2)cccc1	0.61	1.0
Compound_1588	O=C1N(C)C(=O)N(C(=O)C1C1=Nc2c3c1cccc3c(cc2Sc1ccccc1)Sc1ccccc1)C	0.08	0.0
Compound_1589	O=C1N(C)C(=O)N(C(=O)C1C1=Nc2c3c1cccc3c(cc2)Sc1ccccc1)C	0.09	0.0
Compound_1590	CSc1ccc2c(c1)Nc1c(S2)cccc1	0.58	1.0
Compound_1591	Clc1ccccc1[S](c1ccccc1)c1ccccc1	0.92	1.0
Compound_1592	Clc1ccccc1[S](c1ccccc1Cl)c1ccccc1	0.92	1.0
Compound_1593	c1ccc(cc1)[S](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S](c1ccccc1)c1ccccc1	0.85	1.0
Compound_1594	c1ccc(cc1)[S](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S](c1ccccc1)c1ccccc1	0.85	1.0
Compound_1595	c1ccc(cc1)Sc1ccccc1[S](c1ccccc1)c1ccccc1	0.89	1.0
Compound_1596	c1ccc(cc1)Sc1ccc(cc1)[S](c1ccccc1)c1ccccc1	0.82	1.0
Compound_1597	FC(c1ccc(cc1)Sc1ccccc1)(F)F	0.78	1.0
Compound_1598	c1ccc2c(c1)Sc1c(N2)cccc1	0.62	1.0
Compound_1599	Nc1ccc(c(c1)S(=O)(=O)O)Sc1ccc(cc1S(=O)(=O)O)N	0.81	1.0
Compound_1600	Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N	0.24	0.0
Compound_1601	Nc1ccc(cc1)Sc1ccc(cc1)N(=O)=O	0.8	1.0
Compound_1602	Nc1ccc(cc1)Sc1ccc(cc1)N	0.83	1.0
Compound_1603	Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N	0.24	0.0
Compound_1604	Nc1ccccc1S(=O)(=O)c1ccccc1	0.4	0.0
Compound_1605	Clc1ccc(cc1)Sc1ccccc1N	0.78	1.0
Compound_1606	Nc1ccccc1Sc1ccccc1	0.83	1.0
Compound_1607	Nc1ccccc1Sc1ccccc1N(=O)=O	0.77	1.0
Compound_1608	Nc1ccccc1Sc1ccccc1N	0.85	1.0
Compound_1609	O=C1c2cccc(c2C(=O)c2c1cccc2Sc1ccccc1)Sc1ccccc1	0.91	1.0
Compound_1610	O=C1c2cccc(c2C(=O)c2c1cccc2Sc1ccccc1)Sc1ccccc1	0.91	1.0
Compound_1611	O=S(=O)(c1ccccc1)c1ccccc1	0.82	1.0
Compound_1612	O=S(=O)(c1cccc2c1cccc2)c1cccc2c1cccc2	0.84	1.0
Compound_1613	O=S(c1ccccc1)c1ccccc1	0.74	1.0
Compound_1614	Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl	0.9	1.0
Compound_1615	OC1=Nc2ccccc2Sc2c1cccc2	0.58	1.0
Compound_1616	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)Sc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.83	1.0
Compound_1617	c1ccc(cc1)Sc1ccccc1	0.78	1.0
Compound_1618	c1ccc2c(c1)Sc1c(S2)cccc1	0.94	1.0
Compound_1619	Sc1ccc(cc1)Sc1ccc(cc1)S	0.8	1.0
Compound_1620	Clc1cc(C)c2c(c1)sc(c2OS(=O)(=O)O)c1sc2c(c1OS(=O)(=O)O)c(C)cc(c2)Cl	0.53	1.0
Compound_1621	Nc1cc(Cl)c(cc1S(=O)(=O)O)C	0.52	1.0
Compound_1622	Nc1cc(Cl)c(cc1S(=O)(=O)O)C	0.52	1.0
Compound_1623	Oc1ccc(c(c1)C)Cl	0.95	1.0
Compound_1624	Oc1cc(C)c(c(c1)C)Cl	0.97	1.0
Compound_1625	Oc1cc(C)c(c(c1)C)Cl	0.97	1.0
Compound_1626	Clc1ccc(c(c1)C(=O)O)C(=O)O	0.79	1.0
Compound_1627	Clc1cccc(c1)C(=O)C	0.9	1.0
Compound_1628	Clc1c(C)cccc1Cl	0.72	1.0
Compound_1629	Nc1ccc(c(c1)Cl)C	0.97	1.0
Compound_1630	Clc1ccc(c(c1)C)Cl	0.72	1.0
Compound_1631	Oc1ccc(c(c1)C)Cl	0.95	1.0
Compound_1632	Cc1ccccc1Cl	0.72	1.0
Compound_1633	Clc1cccc(c1C)Cl	0.72	1.0
Compound_1634	Cc1c(N)cccc1Cl	0.97	1.0
Compound_1635	Clc1ccc(c(c1)C)O	0.95	1.0
Compound_1636	Cc1ccc(c(c1)Cl)Cl	0.72	1.0
Compound_1637	Cc1cccc(c1)Cl	0.96	1.0
Compound_1638	O=C=Nc1ccc(c(c1)Cl)C	0.76	1.0
Compound_1639	Cc1ccc(cc1)Cl	0.96	1.0
Compound_1640	Clc1ccc(c(c1)Cl)C	0.72	1.0
Compound_1641	Clc1ccc(c(c1)N)C	0.97	1.0
Compound_1642	Clc1ccc(c(c1)N)C	0.97	1.0
Compound_1643	Clc1ccc2c(c1)c(C)cs2	0.92	1.0
Compound_1644	Clc1ccc2c(c1)nc(o2)C	0.76	1.0
Compound_1645	CCc1cccc(c1)Cl	0.94	1.0
Compound_1646	CCN(C(=O)SCc1ccc(cc1)Cl)CC	0.87	1.0
Compound_1647	CCC(=Cc1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)Cl)C=c1oc2c(n1CCCS(=O)(=O)O)cc(cc2)Cl	0.22	0.0
Compound_1648	CCO[Si](c1ccc(cc1)Cl)(OCC)OCC	0.81	1.0
Compound_1649	ClC(=O)c1ccccc1Cl	0.76	1.0
Compound_1650	Clc1ccc(cc1)C(=O)Cl	0.91	1.0
Compound_1651	Clc1cccc(c1)C(=O)Cl	0.91	1.0
Compound_1652	O=C(c1ccccc1Cl)OOC(=O)c1ccccc1Cl	0.41	0.0
Compound_1653	Clc1ccccc1c1nc(c(n1n1c(nc(c1c1ccccc1)c1ccccc1)c1ccccc1Cl)c1ccccc1)c1ccccc1	0.71	1.0
Compound_1654	O=C=NS(=O)(=O)c1ccccc1Cl	0.4	0.0
Compound_1655	Clc1ccccc1S(=O)(=O)Cl	0.7	1.0
Compound_1656	O=Cc1ccccc1Cl	0.76	1.0
Compound_1657	Clc1ccccc1Cl	0.63	1.0
Compound_1658	N#[N+]c1cccc(c1)Cl	0.79	1.0
Compound_1659	N#[N+]c1cccc(c1)Cl	0.79	1.0
Compound_1660	Clc1cccc(c1)Br	0.92	1.0
Compound_1661	Clc1ccc(c(c1)Cl)C(=O)OOC(=O)c1ccc(cc1Cl)Cl	0.41	0.0
Compound_1662	O=Cc1ccc(cc1Cl)Cl	0.76	1.0
Compound_1663	Clc1cccc(c1)Cl	0.93	1.0
Compound_1664	Clc1cc(SSc2cc(Cl)cc(c2)Cl)cc(c1)Cl	0.58	1.0
Compound_1665	Clc1ccc(cc1)Br	0.92	1.0
Compound_1666	O=C(c1ccc(cc1)Cl)OOC(=O)c1ccc(cc1)Cl	0.32	0.0
Compound_1667	O=Cc1ccc(cc1)Cl	0.91	1.0
Compound_1668	Clc1ccc(cc1)Cl	0.93	1.0
Compound_1669	Clc1ccc(cc1)SSc1ccc(cc1)Cl	0.58	1.0
Compound_1670	Clc1ccc2c(c1)[nH]c(=O)o2	0.51	1.0
Compound_1671	Clc1ccc2c(c1)c(=O)c1c(s2)cccc1	0.81	1.0
Compound_1672	O=C=Nc1cccc(c1)Cl	0.77	1.0
Compound_1673	O=Cc1cccc(c1)Cl	0.91	1.0
Compound_1674	O=Cc1c(Cl)cccc1Cl	0.76	1.0
Compound_1675	Clc1cccc(c1)SSc1cccc(c1)Cl	0.58	1.0
Compound_1676	Clc1ccccc1	0.93	1.0
Compound_1677	Clc1ccccc1Br	0.71	1.0
Compound_1678	Clc1ccc2c(c1)nn[nH]2	0.69	1.0
Compound_1679	Clc1ccc2c(c1)[nH]c(=S)o2	0.56	1.0
Compound_1680	BrCc1csc2c1cc(Cl)cc2	0.83	1.0
Compound_1681	ClCc1ccc(cc1)Cl	0.91	1.0
Compound_1682	ClCc1cccc(c1)Cl	0.91	1.0
Compound_1683	ClCc1ccccc1Cl	0.7	1.0
Compound_1684	COc1ccc(cc1Br)Cl	0.78	1.0
Compound_1685	COc1ccc(c(c1)Cl)C	0.7	1.0
Compound_1686	COc1cc(ccc1OC)c1c(nc(n1n1c(nc(c1c1ccccc1)c1ccccc1)c1ccccc1Cl)c1ccccc1Cl)c1ccccc1Cl	0.57	1.0
Compound_1687	COc1ccc(cc1)Cl	0.77	1.0
Compound_1688	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl	0.27	0.0
Compound_1689	NC(=O)c1ccccc1Cl	0.75	1.0
Compound_1690	OC(=O)c1c(N)cccc1Cl	0.17	0.0
Compound_1691	Clc1ccc(c(c1)N)C(=O)O	0.17	0.0
Compound_1692	Clc1ccc(c(c1)N)S	0.72	1.0
Compound_1693	Nc1cc(Cl)cc(c1)Cl	0.92	1.0
Compound_1694	Nc1cccc(c1)Cl	0.92	1.0
Compound_1695	NCc1ccccc1Cl	0.56	1.0
Compound_1696	NCc1ccc(cc1)Cl	0.59	1.0
Compound_1697	OC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl	0.3	0.0
Compound_1698	Clc1ccc(cc1S(=O)(=O)N)S(=O)(=O)Cl	0.32	0.0
Compound_1699	Clc1ccccc1S(=O)(=O)N	0.41	0.0
Compound_1700	Brc1ccc(c(c1)C(=O)O)Cl	0.87	1.0
Compound_1701	OC(=O)c1c(Cl)cccc1Cl	0.86	1.0
Compound_1702	Clc1ccc(c(c1)C(=O)O)O	0.4	0.0
Compound_1703	OC(=O)c1cc(Cl)c(cc1Cl)C(=O)O	0.79	1.0
Compound_1704	Clc1ccc(c(c1)C(=O)O)Cl	0.86	1.0
Compound_1705	OC(=O)c1ccc(cc1)Cl	0.93	1.0
Compound_1706	Clc1ccc(c(c1)C(=O)O)C(=O)O	0.79	1.0
Compound_1707	Clc1ccc(c(c1)Cl)C(=O)O	0.86	1.0
Compound_1708	Clc1cccc(c1)C(=O)O	0.93	1.0
Compound_1709	OC(=O)c1cccc(c1Cl)Cl	0.86	1.0
Compound_1710	OC(=O)c1ccccc1Cl	0.86	1.0
Compound_1711	O=Cc1cc(Cl)ccc1O	0.8	1.0
Compound_1712	Clc1ccc(cc1)Oc1ccc(cc1O)Cl	1.0	1.0
Compound_1713	Oc1cccc(c1)Cl	0.97	1.0
Compound_1714	Oc1ccc(cc1)Cl	0.97	1.0
Compound_1715	OCc1ccc(cc1Cl)Cl	0.29	0.0
Compound_1716	OCCNc1cccc(c1)Cl	0.29	0.0
Compound_1717	Clc1c(S)cccc1Cl	0.64	1.0
Compound_1718	Clc1ccc(c(c1)Cl)S	0.64	1.0
Compound_1719	Clc1ccc(c(c1)S)Cl	0.64	1.0
Compound_1720	Clc1cccc(c1S)Cl	0.64	1.0
Compound_1721	Sc1ccc(c(c1)Cl)Cl	0.64	1.0
Compound_1722	Sc1cc(Cl)cc(c1)Cl	0.87	1.0
Compound_1723	Sc1cccc(c1)Cl	0.87	1.0
Compound_1724	Sc1ccc(cc1)Cl	0.87	1.0
Compound_1725	Sc1ccccc1Cl	0.64	1.0
Compound_1726	Clc1ccc(cc1Cl)n1nnnc1S	0.64	1.0
Compound_1727	SCc1ccc(cc1)Cl	0.77	1.0
Compound_1728	O=N(=O)c1ccccc1F	0.46	0.0
Compound_1729	Fc1ccc(cc1)N(=O)=O	0.65	1.0
Compound_1730	OC(=O)c1cccc(c1F)F	0.76	1.0
Compound_1731	OC(=O)Cc1cccc(c1F)F	0.61	1.0
Compound_1732	ClC[Si](c1ccc(cc1)F)(c1ccc(cc1)F)C	0.84	1.0
Compound_1733	Fc1ccc(c(c1)Cl)C(=O)C	0.74	1.0
Compound_1734	CC(=O)c1ccc(cc1)F	0.82	1.0
Compound_1735	CC(=O)Cc1ccc(cc1N(=O)=O)F	0.55	1.0
Compound_1736	CC(=O)Nc1ccc(cc1)F	0.85	1.0
Compound_1737	CC(=O)Nc1ccccc1F	0.82	1.0
Compound_1738	Fc1ccc(c(c1)C)C(=O)O	0.73	1.0
Compound_1739	OCc1c(F)c(F)c(c(c1F)F)C	0.51	1.0
Compound_1740	Fc1c(C)cccc1F	0.7	1.0
Compound_1741	Cc1ccccc1F	0.7	1.0
Compound_1742	Cc1cccc(c1)F	0.86	1.0
Compound_1743	Cc1ccc(cc1)F	0.86	1.0
Compound_1744	Fc1ccc2c(c1)[nH]c(c2)C	0.92	1.0
Compound_1745	CCc1ccc(cc1)C#Cc1ccc(c(c1)F)F	0.86	1.0
Compound_1746	CCCc1ccc(cc1)C#Cc1ccc(c(c1)F)F	0.85	1.0
Compound_1747	CCCc1ccc(cc1)C#Cc1ccc(c(c1F)F)OCC	0.84	1.0
Compound_1748	CCCc1cnc(nc1)c1ccc(c(c1)F)F	0.6	1.0
Compound_1749	CCCCc1ccc(cc1)C#Cc1ccc(c(c1)F)F	0.82	1.0
Compound_1750	CCCCCc1ccc(cc1)C#Cc1ccc(c(c1F)F)OCC	0.75	1.0
Compound_1751	CCCCCc1ccc(cc1)C#Cc1ccc(c(c1)F)F	0.83	1.0
Compound_1752	CCCCCc1cnc(nc1)c1ccc(cc1)F	0.55	1.0
Compound_1753	CCOc1ccc(cc1)C#Cc1ccc(cc1F)Cl	0.9	1.0
Compound_1754	CCOc1ccc(cc1)C#Cc1ccc(cc1)F	0.89	1.0
Compound_1755	COC(=O)c1ccc(cc1)F	0.84	1.0
Compound_1756	COc1ccc(cc1F)Br	0.78	1.0
Compound_1757	COc1c(F)cc(cc1F)Br	0.78	1.0
Compound_1758	COc1ccc(cc1F)C(=O)C	0.8	1.0
Compound_1759	COc1c(F)cccc1F	0.71	1.0
Compound_1760	COc1cccc(c1)F	0.74	1.0
Compound_1761	COc1ccc(cc1)F	0.74	1.0
Compound_1762	COc1ccccc1F	0.71	1.0
Compound_1763	COCc1c(F)c(F)c(c(c1F)F)CO	0.64	1.0
Compound_1764	Fc1ccccc1Br	0.71	1.0
Compound_1765	Fc1ccccc1C(F)(F)F	0.64	1.0
Compound_1766	O=Cc1ccccc1F	0.74	1.0
Compound_1767	Fc1ccccc1Cl	0.6	1.0
Compound_1768	Fc1c(B(c2c(F)c(F)c(c(c2F)F)F)c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F	0.9	1.0
Compound_1769	O=Cc1ccc(c(c1)F)F	0.74	1.0
Compound_1770	Sc1ccc(c(c1)F)F	0.66	1.0
Compound_1771	Fc1ccccc1F	0.65	1.0
Compound_1772	Fc1cccc2c1cccc2	0.9	1.0
Compound_1773	Fc1cccc(c1)Br	0.85	1.0
Compound_1774	O=Cc1cccc(c1)F	0.81	1.0
Compound_1775	O=Cc1ccc(cc1Cl)F	0.71	1.0
Compound_1776	Fc1cccc(c1)Cl	0.85	1.0
Compound_1777	O=Cc1ccc(cc1F)F	0.74	1.0
Compound_1778	Fc1ccc(c(c1)F)S	0.66	1.0
Compound_1779	Fc1cccc(c1)F	0.85	1.0
Compound_1780	Fc1cccc(c1)S	0.8	1.0
Compound_1781	Fc1cccc(c1)SSc1cccc(c1)F	0.63	1.0
Compound_1782	Fc1ccc(cc1)Br	0.85	1.0
Compound_1783	ClC(=O)c1ccc(cc1)F	0.81	1.0
Compound_1784	O=C=Nc1ccc(cc1)F	0.71	1.0
Compound_1785	O=Cc1ccc(cc1)F	0.81	1.0
Compound_1786	O=Cc1ccc(c(c1)Oc1ccccc1)F	0.93	1.0
Compound_1787	Fc1ccc(cc1)Cl	0.85	1.0
Compound_1788	Fc1ccc(cc1)F	0.85	1.0
Compound_1789	ClCCCOc1ccc(cc1)F	0.81	1.0
Compound_1790	Fc1ccc(cc1)S	0.8	1.0
Compound_1791	O=Cc1cccc(c1F)F	0.74	1.0
Compound_1792	O=Cc1c(F)cccc1Cl	0.71	1.0
Compound_1793	O=Cc1c(F)cccc1F	0.74	1.0
Compound_1794	Fc1ccccc1	0.85	1.0
Compound_1795	Fc1ccccc1S	0.66	1.0
Compound_1796	Fc1ccccc1SSc1ccccc1F	0.77	1.0
Compound_1797	O=C1Cc2c(N1)c(F)ccc2	0.43	0.0
Compound_1798	NC(=O)c1c(F)cccc1F	0.69	1.0
Compound_1799	NC(=O)c1ccc(cc1)F	0.74	1.0
Compound_1800	Fc1ccc(c(c1)Br)N	0.88	1.0
Compound_1801	Nc1ccc(c(c1F)F)F	0.88	1.0
Compound_1802	Brc1ccc(c(c1)F)N	0.88	1.0
Compound_1803	Clc1ccc(c(c1)F)N	0.88	1.0
Compound_1804	Fc1cc(F)c(c(c1)F)N	0.88	1.0
Compound_1805	Fc1ccc(cc1N)C(F)(F)F	0.81	1.0
Compound_1806	Fc1ccc(c(c1)N)F	0.88	1.0
Compound_1807	Nc1ccccc1F	0.88	1.0
Compound_1808	Fc1cccc(c1N)F	0.88	1.0
Compound_1809	Nc1ccc(c(c1)C(F)(F)F)F	0.81	1.0
Compound_1810	Nc1ccc(c(c1)S(=O)(=O)O)F	0.65	1.0
Compound_1811	Nc1ccc(c(c1)F)F	0.88	1.0
Compound_1812	Fc1cc(F)c(cc1N)F	0.88	1.0
Compound_1813	Nc1cccc(c1)F	0.84	1.0
Compound_1814	Nc1ccc(c(c1)Cl)F	0.88	1.0
Compound_1815	Nc1ccc(cc1)F	0.84	1.0
Compound_1816	Fc1ccc(c(c1)F)N	0.88	1.0
Compound_1817	OB(c1cc(F)c(c(c1)F)F)O	0.48	0.0
Compound_1818	Fc1ccc(c(c1)F)C(=O)O	0.76	1.0
Compound_1819	Fc1ccc(c(c1)C(=O)O)F	0.76	1.0
Compound_1820	OC(=O)c1c(F)cccc1F	0.76	1.0
Compound_1821	OC(=O)c1ccc(c(c1)F)F	0.76	1.0
Compound_1822	Fc1cccc(c1)C(=O)O	0.83	1.0
Compound_1823	OC(=O)c1ccc(cc1)F	0.83	1.0
Compound_1824	OC(=O)c1ccccc1F	0.76	1.0
Compound_1825	OC(=O)Cc1ccccc1F	0.61	1.0
Compound_1826	OC(=O)Cc1cc(F)c(cc1F)F	0.61	1.0
Compound_1827	Fc1ccc(c(c1)Br)O	0.91	1.0
Compound_1828	Brc1ccc(c(c1)F)O	0.91	1.0
Compound_1829	Clc1ccc(c(c1)F)O	0.79	1.0
Compound_1830	Fc1ccc(c(c1)F)O	0.87	1.0
Compound_1831	Fc1ccc(cc1O)C(F)(F)F	0.81	1.0
Compound_1832	Fc1ccc(c(c1)O)F	0.87	1.0
Compound_1833	Oc1ccccc1F	0.87	1.0
Compound_1834	Oc1ccc(c(c1)Cl)F	0.79	1.0
Compound_1835	Oc1cccc(c1)F	0.93	1.0
Compound_1836	Oc1ccc(cc1)F	0.93	1.0
Compound_1837	Oc1ccc2c(c1)c(F)c(cc2)F	0.95	1.0
Compound_1838	OCc1cccc(c1F)F	0.4	0.0
Compound_1839	O=N(=O)c1cc(ccc1[n+]1ccccc1)N(=O)=O	0.34	0.0
Compound_1840	Clc1cc(c(cc1n1[nH]c2c(c1=O)cc(cc2N(=O)=O)N(=O)=O)Cl)S(=O)(=O)O	0.41	0.0
Compound_1841	OC(=O)c1cc(N=Nc2cccc(c2)N(=O)=O)ccc1O	0.52	1.0
Compound_1842	O=N(=O)c1cccc(c1)N(=O)=O	0.97	1.0
Compound_1843	O=N(=O)c1cc(ccc1Sc1nc2c(s1)cccc2)N(=O)=O	0.59	1.0
Compound_1844	O=C1c2cc(ccc2c2c1cc(cc2N(=O)=O)N(=O)=O)N(=O)=O	0.84	1.0
Compound_1845	O=N(=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)N(=O)=O)C	0.93	1.0
Compound_1846	O=N(=O)c1c(C)c(N(=O)=O)c(c(c1C(C)(C)C)N(=O)=O)C	0.95	1.0
Compound_1847	Cc1c(C)c(N(=O)=O)c(c(c1C)N(=O)=O)C(C)(C)C	0.95	1.0
Compound_1848	O=N(=O)c1ccc(c(c1)N(=O)=O)C	0.97	1.0
Compound_1849	O=N(=O)c1cc(N(=O)=O)c(c(c1)N(=O)=O)C	0.97	1.0
Compound_1850	Cc1c(cccc1N(=O)=O)N(=O)=O	0.97	1.0
Compound_1851	O=N(=O)c1ccc(c(c1)N)C	0.86	1.0
Compound_1852	CN1C(=O)C(N=Nc2cccc(c2)N(=O)=O)C(=O)c2c1cccc2	0.25	0.0
Compound_1853	N#Cc1c(N)cccc1N(=O)=O	0.87	1.0
Compound_1854	O=N(=O)c1ccc(c(c1)N)F	0.69	1.0
Compound_1855	Nc1ccc(c(c1)N(=O)=O)Cl	0.66	1.0
Compound_1856	Nc1ccc(c(c1)N(=O)=O)F	0.69	1.0
Compound_1857	Nc1cccc(c1)N(=O)=O	0.93	1.0
Compound_1858	O=N(=O)c1ccc(c(c1)N)Cl	0.66	1.0
Compound_1859	OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O	0.82	1.0
Compound_1860	O=C(c1cc2ccccc2cc1O)Nc1cccc(c1)N(=O)=O	0.4	0.0
Compound_1861	O=C1OCCN1N=Cc1ccc(o1)N(=O)=O	0.16	0.0
Compound_1862	OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C	0.16	0.0
Compound_1863	OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C	0.0	0.0
Compound_1864	OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C	0.0	0.0
Compound_1865	OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C	0.0	0.0
Compound_1866	OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C	0.0	0.0
Compound_1867	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)Br)C)C	0.72	1.0
Compound_1868	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)Cl)C)C	0.72	1.0
Compound_1869	CCC(C(C)C)C=CC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C	0.76	1.0
Compound_1870	OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCC(C(C)C)C)C)C)C1)C	0.4	0.0
Compound_1871	CCC(C(C)C)CCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C	0.76	1.0
Compound_1872	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C)C	0.4	0.0
Compound_1873	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)c1ccccc1)C)C	0.51	1.0
Compound_1874	CCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.55	1.0
Compound_1875	CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.55	1.0
Compound_1876	CCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.55	1.0
Compound_1877	CCCCCCCCC=CCCCCCCCCOC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.52	1.0
Compound_1878	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C	0.49	0.0
Compound_1879	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Cl)C)C	0.54	1.0
Compound_1880	CCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.55	1.0
Compound_1881	OCC12C(O)CC(CC2(O)CCC2C1C(O)CC1(C2(O)CCC1C1=CC(=O)OC1)C)OC1OC(C)C(C(C1O)O)O	0.21	0.0
Compound_1882	OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O	0.41	0.0
Compound_1883	OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O	0.41	0.0
Compound_1884	OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2=O)C)C	0.1	0.0
Compound_1885	OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C	0.03	0.0
Compound_1886	CC(=C)C1CCC2(C1C1CCC3C(C1(C)CC2)(C)CCC1C3(C)CCC(C1(C)C)O)C(=O)O	0.1	0.0
Compound_1887	CC1(C)C2CCC3(C1C1(OCCO1)CCC3(C)C)C2	0.6	1.0
Compound_1888	CC1(C)C2CCC3(C1C1(OCCO1)CCC3(C)C)C2	0.6	1.0
Compound_1889	CCOC(=O)C12CCCC2C2CC1CC2	0.75	1.0
Compound_1890	CCOC(=O)C12CCCC2C2CC1CC2	0.75	1.0
Compound_1891	CCOC(=O)C12CCCC2C2CC1CC2	0.75	1.0
Compound_1892	OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O	0.29	0.0
Compound_1893	OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)OCC(=O)OC(C)(C)C)C)C)C	0.11	0.0
Compound_1894	CC(=O)OCC1CCC(C23C41C2CC(C4(C)C)C3)(C)C	0.58	1.0
Compound_1895	OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(C=CC(C(C)C)C)C)C)C1)C	0.1	0.0
Compound_1896	CC1(C)CCC2C3(C41CCC(C4)C3(C)C)O2	0.56	1.0
Compound_1897	CC1(C)CCC2C3(C41CCC(C4)C3(C)C)O2	0.56	1.0
Compound_1898	OCC1CCC(C23C41C2CC(C4(C)C)C3)(C)C	0.57	1.0
Compound_1899	O=C1CCC(C23C1C(C)(C)C(C3)CC2)(C)C	0.25	0.0
Compound_1900	O=COC1CC(C2C31CCCC(C3)(C)CC2)(C)C	0.32	0.0
Compound_1901	CCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.55	1.0
Compound_1902	CCCCCCC(CCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C)O	0.31	0.0
Compound_1903	CCN(CCSCC(=O)OC1CC(C)(C=C)C(O)C(C23C(C1(C)C(C)CC2)C(=O)CC3)C)CC	0.08	0.0
Compound_1904	O=c1c2cc3[nH]c4ccccc4c(=O)c3cc2[nH]c2c1cc(cc2)S(=O)(=O)O	0.44	0.0
Compound_1905	CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2	0.22	0.0
Compound_1906	Nc1cc(C)[n+](c2c1cccc2)CCCCCCCCCC[n+]1c(C)cc(c2c1cccc2)N	0.01	0.0
Compound_1907	c1ccc(cc1)C[n+]1cccc2c1cccc2	0.34	0.0
Compound_1908	CC[n+]1c(C=CC=c2ccc3c(n2CC)cccc3)ccc2c1cccc2	0.17	0.0
Compound_1909	c1ccc2c(n1)c1ncccc1cc2	0.97	1.0
Compound_1910	c1ccc2c(n1)c1ncccc1cc2	0.97	1.0
Compound_1911	c1ccc2c(n1)c1ncccc1cc2	0.97	1.0
Compound_1912	C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O	0.03	0.0
Compound_1913	C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O	0.03	0.0
Compound_1914	C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O	0.03	0.0
Compound_1915	CC[N+](CCC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2)(CC)C	0.01	0.0
Compound_1916	CC[n+]1c(C=Cc2ccc(cc2)N(C)C)ccc2c1cccc2	0.08	0.0
Compound_1917	OC(=O)c1cc(nc2c1cccc2)c1nc2ccccc2c(c1)C(=O)O	0.36	0.0
Compound_1918	O=c1[nH]c2ccccc2c(c1N=Nc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O)O	0.37	0.0
Compound_1919	OS(=O)(=O)Oc1c2c3nc4C=CC5=c6ccccc6=C(C6=CCc(c3ccc2c(c2c1cccc2)OS(=O)(=O)O)c4C56)OS(=O)(=O)O	0.38	0.0
Compound_1920	OS(=O)(=O)c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccc(cc1)S(=O)(=O)O	0.4	0.0
Compound_1921	O=c1c2ccc3c4c2c(c2c1cccc2)ccc4[nH]c1c3ccc2c1c(OS(=O)(=O)O)c1c(c2OS(=O)(=O)O)cccc1	0.49	0.0
Compound_1922	O=C(c1c(=O)[nH]c2c3c1c1ccccc1c(=O)c3c(cc2Oc1ccc(cc1S(=O)(=O)O)C(CC(C)(C)C)(C)C)Nc1ccc(cc1)S(=O)(=O)O)c1ccccc1	0.34	0.0
Compound_1923	CCC(c1ccc(cc1)Oc1cc(Nc2ccccc2S(=O)(=O)O)c2c3c1[nH]c(=O)c(c3c1c(c2=O)cccc1)C(=O)c1ccccc1)(C)C	0.35	0.0
Compound_1924	O=c1c2ccccc2c2c3c1c(ccc3n(c(=O)c2)C)Nc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O	0.3	0.0
Compound_1925	Oc1c(N=Nc2ccc3c(c2)ccc(c3)S(=O)(=O)O)cc(c2c1nccc2)S(=O)(=O)O	0.55	1.0
Compound_1926	O=C1C(c2ccc3c(n2)c(ccc3)S(=O)(=O)O)C(=O)c2c1cccc2	0.44	0.0
Compound_1927	O=C1C(c2ccc3c(n2)ccc(c3)S(=O)(=O)O)C(=O)c2c1cccc2	0.44	0.0
Compound_1928	O=C1C(c2ccc3c(n2)ccc(c3)c2nc3c(s2)c(c(cc3)C)S(=O)(=O)O)C(=O)c2c1cccc2	0.45	0.0
Compound_1929	O=C1C(c2ccc3c(n2)c(C)cc(c3)S(=O)(=O)O)C(=O)c2c1cccc2	0.43	0.0
Compound_1930	Cc1ccc(c(c1)S(=O)(=O)O)Nc1cc(C)c2c3c1c(=O)c1c(c3c(c(=O)[nH]2)C(=O)c2ccccc2)cccc1	0.3	0.0
Compound_1931	Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C	0.3	0.0
Compound_1932	N=C1C=Cc2c(C1)c(c1ccccc1)n(c1c2ccc(=N)c1)C	0.11	0.0
Compound_1933	C(CCCc1c2ccccc2nc2c1cccc2)CCCc1c2ccccc2nc2c1cccc2	0.82	1.0
Compound_1934	c1ccc(cc1)c1c2ccccc2nc2c1cccc2	0.98	1.0
Compound_1935	c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1	0.94	1.0
Compound_1936	c1ccc2c(c1)ccc1c2nccc1	1.0	1.0
Compound_1937	c1ccc2c(c1)nccc2	1.0	1.0
Compound_1938	c1ccc2c(n1)c1ncccc1cc2	0.97	1.0
Compound_1939	c1ccc2c(n1)c1ncccc1cc2	0.97	1.0
Compound_1940	c1ccc2c(c1)nc(cc2)c1ccc2c(n1)cccc2	0.94	1.0
Compound_1941	c1ccc2c(c1)nc1c(c2)cccc1	1.0	1.0
Compound_1942	CC(c1ccc2c(c1)cccn2)(C)C	0.73	1.0
Compound_1943	CC(c1ccnc2c1cccc2)C	0.93	1.0
Compound_1944	CC(c1ccc2c(c1)cccn2)C	0.93	1.0
Compound_1945	CC(Cc1ccc2c(c1)cccn2)C	0.81	1.0
Compound_1946	CC(Cc1ccc2c(n1)cccc2)C	0.6	1.0
Compound_1947	CC(Cn1cnc2c1c1ccccc1nc2N)C	0.14	0.0
Compound_1948	OC(=O)c1c(O)c(C)nc2c1cccc2	0.44	0.0
Compound_1949	Cc1ccc(c(c1)C(=O)c1ccc2c(c1)C(=O)C(C2=O)c1nc2ccccc2cc1O)C	0.41	0.0
Compound_1950	Cc1cc(c2ccccc2)c2c(n1)c1nc(C)cc(c1cc2)c1ccccc1	0.91	1.0
Compound_1951	Cc1ccc2c(n1)c(O)ccc2	0.96	1.0
Compound_1952	Cc1ccc2c(n1)c1nc(C)ccc1cc2	0.93	1.0
Compound_1953	Cc1ccnc2c1cccc2	0.98	1.0
Compound_1954	Cc1ccc2c(c1)[nH]c1c(c2=O)cc2c(c1)c(=O)c1c([nH]2)cc(cc1)C	0.27	0.0
Compound_1955	Cc1ccc2c(c1)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cc(cc1)C	0.27	0.0
Compound_1956	Cc1ccc2c(c1)c(O)c1c(n2)cc2c(c1)nc1c(c2O)cccc1	0.63	1.0
Compound_1957	Cc1ccc2c(c1)ccc(n2)C	0.95	1.0
Compound_1958	Cc1ccc2c(c1)cccn2	0.98	1.0
Compound_1959	Cc1ccc2c(n1)cccc2	0.98	1.0
Compound_1960	Cc1nn(c(c1)C)Cc1ccc2c(c1)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cccc1	0.17	0.0
Compound_1961	CCC(c1cccc2c1nccc2)C	0.82	1.0
Compound_1962	CCC(c1ccc2c(c1)cccn2)C	0.82	1.0
Compound_1963	CCc1ccc2c(c1)ccc(n2)CC	0.64	1.0
Compound_1964	CCCC(CCC(CCCc1ccc2c(c1O)nccc2)C)C	0.2	0.0
Compound_1965	CCCCC(CCC(c1ccc2c(c1O)nccc2)C)CC	0.24	0.0
Compound_1966	CCCN(c1cc(C=c2sc3c(n2C)cccc3)c2c([n+]1c1ccccc1)cccc2)CCCN(C)C	0.02	0.0
Compound_1967	CCN(CCCNS(=O)(=O)c1ccc2c(c1)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cc(cc1)S(=O)(=O)NCCCN(CC)CC)CC	0.07	0.0
Compound_1968	CCn1c(=Cc2ccc3c([n+]2CCCS(=O)(=O)[O-])cccc3)ccc2c1cccc2	0.2	0.0
Compound_1969	CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F	0.0	0.0
Compound_1970	CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.03	0.0
Compound_1971	CCOC(=O)c1ccc2c(c1)C(=O)C(C2=O)c1nc2ccccc2cc1O	0.28	0.0
Compound_1972	CCOCCOC(=O)c1ccc2c(c1)C(=O)C(C2=O)c1nc2ccccc2cc1O	0.27	0.0
Compound_1973	c1ccc2c(c1)nccc2	1.0	1.0
Compound_1974	Nc1cc2nc3cc(N)c(cc3cc2cc1C)C	0.43	0.0
Compound_1975	CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.03	0.0
Compound_1976	CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C	0.32	0.0
Compound_1977	Nc1c2CCCCc2nc2c1cccc2	0.38	0.0
Compound_1978	O=C1C(c2ccc3c(n2)c(ccc3)N2C(=O)c3c(C2=O)c(Cl)c(c(c3Cl)Cl)Cl)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl	0.13	0.0
Compound_1979	O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl	0.55	1.0
Compound_1980	O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2c3c1ccc1c3c(c(c2Cl)Cl)c2c(c1=O)cccc2	0.39	0.0
Compound_1981	Clc1ccc2c(n1)cccc2	0.92	1.0
Compound_1982	Clc1ccc2c(c1)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cc(cc1)Cl	0.3	0.0
Compound_1983	Clc1cccc2c1[nH]c1cc3c(cc1c2=O)[nH]c1c(c3=O)cccc1Cl	0.3	0.0
Compound_1984	Clc1ccc2c(c1)[nH]c1c(c2=O)cc2c(c1)c(=O)c1c([nH]2)cc(cc1)Cl	0.3	0.0
Compound_1985	Cc1ccc(cc1)Nc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C	0.07	0.0
Compound_1986	Clc1cccc(c1)Nc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C	0.07	0.0
Compound_1987	O=c1c2ccccc2c2c3c1c(ccc3n(c(=O)c2)C)NC1CCCCC1	0.12	0.0
Compound_1988	COC(=O)c1ccc2c(c1)C(=O)C(C2=O)c1nc2ccccc2cc1O	0.34	0.0
Compound_1989	COc1ccc2c(c1)cccn2	0.89	1.0
Compound_1990	Nc1ccc2c(n1)cccc2	0.42	0.0
Compound_1991	Nc1c2ccccc2nc2c1cccc2	0.53	1.0
Compound_1992	Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1	0.0	0.0
Compound_1993	Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1	0.0	0.0
Compound_1994	O=C1C(c2ccc3c(n2)ccc2c3cccc2)C(=O)c2c1cccc2	0.54	1.0
Compound_1995	O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2	0.54	1.0
Compound_1996	O=C1c2ccccc2C(=O)c2c1c1[nH]c3ccc4c5c3c(c1cc2)ccc5c(=O)c1c4cccc1	0.43	0.0
Compound_1997	O=C1c2ccccc2c2c3c1ccc1c3c3c(n2)ccc2c3c(n1)c1ccccc1C2=O	0.61	1.0
Compound_1998	O=c1c2cc3[nH]c4ccccc4c(=O)c3cc2[nH]c2c1cccc2	0.27	0.0
Compound_1999	O=C1N(Cc2ccc3c(c2)c(=O)c2c([nH]3)cc3c(c2)[nH]c2c(c3=O)cccc2)C(=O)c2c1cccc2	0.11	0.0
Compound_2000	O=c1c2cccc3c2c(c2c1cccc2)cc1n3c(=O)c2c(n1)cccc2	0.16	0.0
Compound_2001	Clc1cnc2c(c1)ccc(c2C(=O)O)Cl	0.75	1.0
Compound_2002	OC(=O)c1ccc2c(n1)cccc2	0.65	1.0
Compound_2003	Oc1cc2ccccc2nc1C1C(=O)c2c(C1=O)cccc2	0.48	0.0
Compound_2004	Oc1c(nc2c(c1Br)c(Br)ccc2)C1C(=O)c2c(C1=O)cccc2	0.45	0.0
Compound_2005	Oc1cc2ccccc2nc1C1C(=O)c2c(C1=O)cc1c(c2)cccc1	0.48	0.0
Compound_2006	Oc1c(nc2c(c1Br)cccc2)C1C(=O)c2c(C1=O)cccc2	0.45	0.0
Compound_2007	Oc1c(nc2c(c1Br)cccc2)C1C(=O)c2c(C1=O)cccc2	0.45	0.0
Compound_2008	Clc1ccc2c(c1)c(O)c1c(n2)C(=O)c2c(C1=O)nc1c(c2O)cc(cc1)Cl	0.38	0.0
Compound_2009	Oc1c2ccccc2nc2c1c(ccc2N(=O)=O)Sc1ccccc1	0.51	1.0
Compound_2010	O=C1c2ccc3c(c2C(=O)c2c1c1nc4ccccc4c(c1cc2)O)nc1c(c3O)cccc1	0.33	0.0
Compound_2011	Brc1cc(Br)c2c(c1O)nccc2	0.43	0.0
Compound_2012	Ic1cc(c2c(c1O)nccc2)S(=O)(=O)O	0.2	0.0
Compound_2013	Clc1cc(Cl)c2c(c1O)nccc2	0.43	0.0
Compound_2014	Oc1ccc(c2c1nccc2)S(=O)(=O)O	0.3	0.0
Compound_2015	Clc1ccc(c2c1cccn2)O	0.68	1.0
Compound_2016	Oc1ccc2c(c1)ccc(=O)[nH]2	0.56	1.0
Compound_2017	Oc1cccc2c1nccc2	0.99	1.0
Compound_2018	Oc1cccc2c1nccc2	0.99	1.0
Compound_2019	Oc1ccc2c(c1)[nH]c(=O)cc2	0.5	0.0
Compound_2020	Oc1cc2ccccc2nc1C1C(=O)c2c(C1=O)cccc2	0.48	0.0
Compound_2021	Oc1cc2ccccc2nc1C1C(=O)c2c(C1=O)cccc2	0.48	0.0
Compound_2022	O=C1C(c2ccc3c(n2)ccc(c3)c2nc3c(s2)c(c(cc3)C)S(=O)(=O)O)C(=O)c2c1cccc2	0.45	0.0
Compound_2023	OC(=O)c1ccc2c(c1)C(=O)C(C2=O)c1ccc2c(n1)ccc(c2)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.37	0.0
Compound_2024	CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC	0.0	0.0
Compound_2025	Oc1cccc2c1nccc2	0.99	1.0
Compound_2026	c1ccc(cc1)[I+]c1ccccc1	0.69	1.0
Compound_2027	c1ccc(cc1)[I+]c1ccccc1	0.69	1.0
Compound_2028	Ic1cccc(c1)N(=O)=O	0.64	1.0
Compound_2029	Brc1ccccc1I	0.75	1.0
Compound_2030	Brc1ccc(cc1)I	0.93	1.0
Compound_2031	CC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I	0.3	0.0
Compound_2032	CC(=O)O[I](c1ccc(cc1)C)OC(=O)C	0.6	1.0
Compound_2033	Ic1cc(C)c(c(c1)C)O	0.95	1.0
Compound_2034	Cc1cccc(c1)I	0.94	1.0
Compound_2035	Cc1ccc(cc1)I	0.94	1.0
Compound_2036	CCOc1ccc(cc1)I	0.9	1.0
Compound_2037	COc1ccc(cc1I)C(=O)O	0.83	1.0
Compound_2038	Ic1cccc2c1cccc2	0.93	1.0
Compound_2039	Ic1ccc(cc1)I	0.92	1.0
Compound_2040	Ic1ccccc1	0.92	1.0
Compound_2041	Ic1ccc(c(c1)F)N	0.88	1.0
Compound_2042	OC(=O)c1c(I)c(C(=O)O)c(c(c1I)N)I	0.23	0.0
Compound_2043	Nc1ccc(cc1)I	0.9	1.0
Compound_2044	Ic1cc(I)c(c(c1)C(=O)O)O	0.39	0.0
Compound_2045	Ic1cccc(c1)C(=O)O	0.92	1.0
Compound_2046	OC(=O)c1ccc(cc1)I	0.92	1.0
Compound_2047	OC(=O)c1ccccc1I	0.85	1.0
Compound_2048	Oc1ccccc1I	0.88	1.0
Compound_2049	Oc1ccc(cc1)I	0.95	1.0
Compound_2050	C=C1CCC2(C1C2)C(C)C	0.66	1.0
Compound_2051	OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	0.22	0.0
Compound_2052	OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	0.22	0.0
Compound_2053	OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	0.22	0.0
Compound_2054	OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	0.22	0.0
Compound_2055	OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1O)OP(=O)(O)O)O	0.25	0.0
Compound_2056	O=C1CC2C(C1(CC2)CS(=O)(=O)O)(C)C	0.3	0.0
Compound_2057	O=C1CC2C(C1(CC2)CS(=O)(=O)O)(C)C	0.3	0.0
Compound_2058	O=C1CC2C(C1(CC2)CS(=O)(=O)O)(C)C	0.3	0.0
Compound_2059	OC1(CCCCC1)S(=O)(=O)O	0.57	1.0
Compound_2060	BrC1CCCCC1	0.97	1.0
Compound_2061	BrC1CCCCC1Br	0.94	1.0
Compound_2062	BrCC(C1CCC(C(C1)Br)Br)Br	0.91	1.0
Compound_2063	C1CCC(CC1)Cc1nccnc1	0.59	1.0
Compound_2064	O=C1CC2CC(C1C)C2(C)C	0.61	1.0
Compound_2065	CC1CC(O)CC(C1)(C)C	0.28	0.0
Compound_2066	CC1CC(O)CC(C1)(C)C	0.28	0.0
Compound_2067	CC1CCC(C(=O)C1)C(S)(C)C	0.22	0.0
Compound_2068	CC1CCC(C(=O)C1)C(S)(C)C	0.22	0.0
Compound_2069	CC1CCC(C(=O)C1)C(S)(C)C	0.22	0.0
Compound_2070	CC(=C)C1CCC(C(C1)O)C	0.21	0.0
Compound_2071	CC(=C)C1CCC(C(C1)O)C	0.21	0.0
Compound_2072	CC(=C)C1CCC(C(=O)C1)C	0.42	0.0
Compound_2073	CC(=C)C1CCC(C(=O)C1)C	0.42	0.0
Compound_2074	CC1CCC2CC1C2(C)C	0.63	1.0
Compound_2075	CC1CCC2CC1C2(C)C	0.63	1.0
Compound_2076	CC1CCC2CC1C2(C)C	0.63	1.0
Compound_2077	CC1CCC(=C(C)C)C(=O)C1	0.37	0.0
Compound_2078	CC1CCC(=C(C)C)C(=O)C1	0.37	0.0
Compound_2079	CC1CC(C)CC(C1)C	0.77	1.0
Compound_2080	CC1CCC(CC1)C	0.74	1.0
Compound_2081	CC1CCC(CC1)C	0.74	1.0
Compound_2082	CC1CCC(CC1)C(OC(=O)C)(C)C	0.52	1.0
Compound_2083	CC1CCC(CC1)C(OC(=O)C)(C)C	0.52	1.0
Compound_2084	CC1CCCC(C1)C	0.71	1.0
Compound_2085	CC1CCCC(C1)C	0.71	1.0
Compound_2086	CC1CCCCC1O	0.35	0.0
Compound_2087	CC1CCCCC1O	0.35	0.0
Compound_2088	C[Si](C1CC2CC1CC2)(Cl)Cl	0.73	1.0
Compound_2089	C[Si](C1CCCCC1)(Cl)Cl	0.73	1.0
Compound_2090	C=CC(=O)OC1CCCCC1	0.76	1.0
Compound_2091	C=CC(=O)OCC1CCC2C(C1)O2	0.71	1.0
Compound_2092	C=CC1CCC(C(C1)C=C)C=C	0.86	1.0
Compound_2093	C=CC1CCC2C(C1)O2	0.77	1.0
Compound_2094	C=CC1CCCCC1	0.9	1.0
Compound_2095	C=COCC1CCC(CC1)COC=C	0.78	1.0
Compound_2096	C1CCC(CC1)SSC1CCCCC1	0.73	1.0
Compound_2097	C1CCC2C(C1)O2	0.86	1.0
Compound_2098	C1CCCCC1	0.94	1.0
Compound_2099	CC(=O)OC1(C)CCC(CC1)C(=C)C	0.47	0.0
Compound_2100	CC(=C)C1CCC(CC1)(C)O	0.22	0.0
Compound_2101	C=C1CCCC(C1C=C(C(=O)C)C)(C)C	0.53	1.0
Compound_2102	CC(=O)C=CC1C(=C)CCCC1(C)C	0.53	1.0
Compound_2103	CC(=O)C1C2CCC(C1(C)C)C2	0.78	1.0
Compound_2104	CC(=O)C1CCCC(C1)(C)C	0.51	1.0
Compound_2105	CC(=O)OC1CCC(CC1)C(C)(C)C	0.34	0.0
Compound_2106	CC(=O)OC1CCC(CC1)C(C)(C)C	0.34	0.0
Compound_2107	CC(=O)OC1CCC(CC1)C(C)(C)C	0.34	0.0
Compound_2108	CC(=O)OC1(C)CCC(CC1)C(OC(=O)C)(C)C	0.46	0.0
Compound_2109	C#CC1(CCCCC1)OC(=O)C	0.63	1.0
Compound_2110	CC(=O)OC1CCCCC1	0.75	1.0
Compound_2111	CC(=O)OCC=C1C2CCC(C1(C)C)C2	0.55	1.0
Compound_2112	ClC(=O)OC1(CCCCC1)C(C)(C)C	0.39	0.0
Compound_2113	O=C1CCC(CC1C(C)(C)C)C(C)(C)C	0.19	0.0
Compound_2114	CC(C1CCC(=O)CC1)(C)C	0.25	0.0
Compound_2115	C=CC(=O)OC1CCC(CC1)C(C)(C)C	0.4	0.0
Compound_2116	O=C(OC1CCC(CC1)C(C)(C)C)OOC(=O)OC1CCC(CC1)C(C)(C)C	0.49	0.0
Compound_2117	ClC(=O)OC1CCC(CC1)C(C)(C)C	0.39	0.0
Compound_2118	OC1CCC(CC1)C(C)(C)C	0.16	0.0
Compound_2119	CC(C1CCCCC1)(C)C	0.6	1.0
Compound_2120	O=C1CCCCC1C(C)(C)C	0.19	0.0
Compound_2121	CC(OOC1(CCCCC1)OOC(C)(C)C)(C)C	0.46	0.0
Compound_2122	O=C1CC2(C(C1C)C2)C(C)C	0.63	1.0
Compound_2123	CC1CCC(C(=O)C1)C(C)C	0.2	0.0
Compound_2124	CC1CCC(C(=O)C1)C(C)C	0.2	0.0
Compound_2125	CC1CCC(C(=O)C1)C(C)C	0.2	0.0
Compound_2126	CC1CCC(C(=O)C1)C(C)C	0.2	0.0
Compound_2127	OCC1CCC(CC1)C(C)C	0.72	1.0
Compound_2128	OCC1CCC(CC1)C(C)C	0.72	1.0
Compound_2129	CC(C1CCC(CC1)C(=O)O)C	0.71	1.0
Compound_2130	CC(=O)OC1(C)CCC(=C(C)C)CC1	0.48	0.0
Compound_2131	CC(=CCC1(C)CC2C(CC1=O)C2(C)C)C	0.46	0.0
Compound_2132	O=CC1CC2(CCC1(C)C=C2)C(C)C	0.76	1.0
Compound_2133	O=CC1CC2(C)CCC1(C=C2)C(C)C	0.76	1.0
Compound_2134	O=CC1CC2C=C(C1CC2C(C)C)C	0.68	1.0
Compound_2135	N#CC1CC2CC(C1C=C2C)C(C)C	0.74	1.0
Compound_2136	O=CC1CC2CC(C1C=C2C)C(C)C	0.74	1.0
Compound_2137	CC(=O)OC1(C)CCC(CC1)C(C)C	0.29	0.0
Compound_2138	CC(C1CCC(CC1)(C)O)C	0.09	0.0
Compound_2139	CC(C1CCC(C(=O)C1=O)C)C	0.44	0.0
Compound_2140	CC(C1CCC(C(=O)C1=O)C)C	0.44	0.0
Compound_2141	CC(C1CCC(C(=O)C1)C)C	0.2	0.0
Compound_2142	CC1CCC(CC1)C(C)C	0.63	1.0
Compound_2143	CC1CCC(CC1)C(C)C	0.63	1.0
Compound_2144	ON=C1CC(C)CCC1C(C)C	0.42	0.0
Compound_2145	CC(C1CCC(CC1)C(O)C)C	0.57	1.0
Compound_2146	CC(=O)OC1CCC(CC1)C(C)C	0.4	0.0
Compound_2147	CC(C1CCC(CC1)O)C	0.31	0.0
Compound_2148	CC(C1CCCCC1)C	0.73	1.0
Compound_2149	O=CC(C1CCC(=C)CC1)C	0.73	1.0
Compound_2150	O=CC(C1CCCCC1)C	0.86	1.0
Compound_2151	CC(OC(=O)OC1CCCCC1)Cl	0.74	1.0
Compound_2152	SCC(C1CCC(C(C1)S)C)C	0.7	1.0
Compound_2153	CC(C1CCCCC1)O	0.68	1.0
Compound_2154	CC(=O)OC(C1CCCC(C1)(C)C)C	0.52	1.0
Compound_2155	CC(C1CCCCC1)OC(=O)C	0.74	1.0
Compound_2156	O=COC(C1CCCC(C1)(C)C)C	0.52	1.0
Compound_2157	CC=CC(=O)C1C(=C)CCCC1(C)C	0.53	1.0
Compound_2158	CC=CC(=O)OC(C1CCCCC1)C	0.68	1.0
Compound_2159	C=C1CCC2CC1C2(C)C	0.62	1.0
Compound_2160	C=C1CCC2CC1C2(C)C	0.62	1.0
Compound_2161	OC1C2(C)CCC(C1(C)C)C2	0.46	0.0
Compound_2162	OC1C2(C)CCC(C1(C)C)C2	0.46	0.0
Compound_2163	O=C1C2(C)CCC(C1(C)C)C2	0.65	1.0
Compound_2164	O=C1C2(C)CCC(C1(C)C)C2	0.65	1.0
Compound_2165	O=C1C2(C)CCC(C1(C)C)C2	0.65	1.0
Compound_2166	O=C1CC2C(C1(C)CC2)(C)C	0.08	0.0
Compound_2167	O=C1CC2C(C1(C)CC2)(C)C	0.08	0.0
Compound_2168	O=C1CC2C(C1(C)CC2)(C)C	0.08	0.0
Compound_2169	C=C1C2CCC(C1(C)C)C2	0.77	1.0
Compound_2170	C=C1C2CCC(C1(C)C)C2	0.77	1.0
Compound_2171	C=C1C2CCC(C1(C)C)C2	0.77	1.0
Compound_2172	C=C1C2CCC(C1(C)C)C2	0.77	1.0
Compound_2173	CC1(O)C2(C)CCC(C1(C)C)C2	0.46	0.0
Compound_2174	O=C1C(=O)C2(C(C1CC2)(C)C)C	0.53	1.0
Compound_2175	O=C1C(=O)C2(C(C1CC2)(C)C)C	0.53	1.0
Compound_2176	O=C1C(=O)C2(C(C1CC2)(C)C)C	0.53	1.0
Compound_2177	O=CC1CCC2CC1C2(C)C	0.65	1.0
Compound_2178	OCC=C1C2CCC(C1(C)C)C2	0.36	0.0
Compound_2179	BrC1C(=O)C2(C(C1CC2)(C)C)C	0.68	1.0
Compound_2180	C=C1CC2C(C1CC2)(C)C	0.59	1.0
Compound_2181	O=C1CC(=O)CC(C1)(C)C	0.49	0.0
Compound_2182	O=C1C(C)(C)CCCC1(C)O	0.34	0.0
Compound_2183	CC12C3C1CC(C2(C)C)C3	0.86	1.0
Compound_2184	ON=C1C2(C)CCCC1(C)CC2	0.32	0.0
Compound_2185	O=C1CCCC(=O)C1C	0.59	1.0
Compound_2186	O=CC1CC2CC(C1C)C2(C)C	0.83	1.0
Compound_2187	N#CC1C(C)C2CC1(C)CC2	0.65	1.0
Compound_2188	CC1CC(=O)CC(C1)(C)C	0.39	0.0
Compound_2189	CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C	0.7	1.0
Compound_2190	O=C1C(C)CC(CC1=O)(C)C	0.43	0.0
Compound_2191	CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C	0.32	0.0
Compound_2192	OCC1CC(C)CC(C1)C	0.62	1.0
Compound_2193	CC1CC(COC(=O)C)CC(C1)C	0.74	1.0
Compound_2194	N#CC1C2CC(C(C1C)C2)C	0.74	1.0
Compound_2195	CC(=O)C=CC1C(=C)CCC(C1(C)C)C	0.65	1.0
Compound_2196	CC(=O)C=CC1C(C)CCC(C1(C)C)C	0.7	1.0
Compound_2197	CC1CCC(CC1)C(O)(C)C	0.49	0.0
Compound_2198	OOC(C1CCC(CC1)C)(C)C	0.46	0.0
Compound_2199	CC1CCC(CC1)O	0.66	1.0
Compound_2200	CC1CCC2C(C1)(C=CC#N)C2(C)C	0.52	1.0
Compound_2201	CC1CCC2CC1SC2(C)C	0.63	1.0
Compound_2202	CC1CCCC(=O)C1	0.65	1.0
Compound_2203	O=C1C(C)CCCC1=O	0.56	1.0
Compound_2204	CC1CCCC(C1=O)(C)C	0.42	0.0
Compound_2205	CC1CCCC(C1)O	0.45	0.0
Compound_2206	CC1CCCCC1	0.8	1.0
Compound_2207	CC1CCCCC1=O	0.52	1.0
Compound_2208	CCC(OOC1(CCCCC1)OOC(CC)(C)C)(C)C	0.53	1.0
Compound_2209	CCC1CCC(CC1)C(=O)Oc1ccc(c(c1)F)F	0.74	1.0
Compound_2210	CCC1CCC(CC1)C(=O)Oc1ccc(cc1)F	0.81	1.0
Compound_2211	CCC1CCC(CC1)C(=O)O	0.75	1.0
Compound_2212	CCC1CCCCC1	0.83	1.0
Compound_2213	CCCC(OOC1(OOC(CCC)(C)C)CC(C)CC(C1)(C)C)(C)C	0.57	1.0
Compound_2214	CCCCC(C(=O)OCC1CCC(CC1)COC(=O)C(CCCC)CC)CC	0.62	1.0
Compound_2215	CCCCC(COC(=O)C1CCC2C(C1)O2)CC	0.74	1.0
Compound_2216	CCCCCC=C1CCCCC1=O	0.64	1.0
Compound_2217	CCCCCCC=C1CCCCC1=O	0.64	1.0
Compound_2218	CCO[Si](C1CCCCC1)(OCC)OCC	0.81	1.0
Compound_2219	CCOC(=O)C1CCC(CC1)C(=O)OCC	0.71	1.0
Compound_2220	CCOC1(OCC)CCCCC1	0.71	1.0
Compound_2221	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.47	0.0
Compound_2222	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.47	0.0
Compound_2223	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.47	0.0
Compound_2224	Cl[Si](C1CC2CC1CC2)(Cl)Cl	0.86	1.0
Compound_2225	Cl[Si](C1CCCCC1)(Cl)Cl	0.87	1.0
Compound_2226	ClC1CCCCC1	0.87	1.0
Compound_2227	O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C	0.22	0.0
Compound_2228	CO[Si](C1CCCCC1)(OC)C	0.56	1.0
Compound_2229	CO[Si](C1CCCCC1)(C1CCCCC1)OC	0.66	1.0
Compound_2230	CO[Si](C1CCCCC1)(OC)OC	0.55	1.0
Compound_2231	CO[SiH](CCC1CCCCC1)OC	0.7	1.0
Compound_2232	COC(=O)C1(C)CCC(CC1)C	0.55	1.0
Compound_2233	COC(=O)C1CCC(CC1)C(=O)OC	0.65	1.0
Compound_2234	COC(=O)C1CCC(CC1)C(=O)OC	0.65	1.0
Compound_2235	COC(=O)C1CCC(CC1)C(=O)O	0.58	1.0
Compound_2236	COC(=O)C1CC(=O)C(CC1=O)C(=O)OC	0.6	1.0
Compound_2237	COC(=O)C1CCC2C(C1)O2	0.67	1.0
Compound_2238	COC(=O)C1CCCCC1	0.83	1.0
Compound_2239	NCC1CCC(CC1)C(=O)O	0.08	0.0
Compound_2240	NCC1CCCC(C1)CN	0.36	0.0
Compound_2241	CC1(O)CCC(CC1)C(O)(C)C	0.1	0.0
Compound_2242	OC1C(O)CC(CC1O)(O)C(=O)O	0.49	0.0
Compound_2243	OC1C(O)C(O)C(C(C1O)O)O	0.69	1.0
Compound_2244	OC1C(O)C(O)C(C(C1O)O)O	0.69	1.0
Compound_2245	OC1CCC(CC1)O	0.71	1.0
Compound_2246	OC1CCC(CC1)O	0.71	1.0
Compound_2247	OC1CCC(CC1)O	0.71	1.0
Compound_2248	O=C(OCC1CCC2C(C1)O2)CCCCC(=O)OCC1CCC2C(C1)O2	0.74	1.0
Compound_2249	O=C(OC1CCCCC1)C=CC(=O)OC1CCCCC1	0.78	1.0
Compound_2250	O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2	0.81	1.0
Compound_2251	O=C(C1CCC(CC1)CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O	0.22	0.0
Compound_2252	O=C=NCC1(CCCCC1)CN=C=O	0.4	0.0
Compound_2253	O=C=NCC1CCCC(C1)CN=C=O	0.38	0.0
Compound_2254	O=C1CCC(=O)CC1	0.74	1.0
Compound_2255	O=C1CCCC(=O)C1	0.72	1.0
Compound_2256	O=C1CCCCC1	0.78	1.0
Compound_2257	O=C1CCCCC1=O	0.66	1.0
Compound_2258	O=CC1CCCCC1	0.9	1.0
Compound_2259	O=COC1CCCCC1	0.81	1.0
Compound_2260	OC(=O)C1CCC(CC1)C(=O)O	0.65	1.0
Compound_2261	OC(=O)C1CCC(CC1)C(=O)O	0.65	1.0
Compound_2262	OC(=O)C1CCCCC1	0.68	1.0
Compound_2263	OCC1CCC(CC1)CO	0.88	1.0
Compound_2264	OCC1CCC(CC1)CO	0.88	1.0
Compound_2265	C#CC1(O)CCCCC1	0.6	1.0
Compound_2266	OC1CCCCC1	0.67	1.0
Compound_2267	OCC1CCC(CC1)COC=C	0.74	1.0
Compound_2268	ON=C1C(=NO)CCCC1=NO	0.36	0.0
Compound_2269	ON=C1CCCCC1	0.49	0.0
Compound_2270	OOC1(CCCCC1)OOC1(O)CCCCC1	0.57	1.0
Compound_2271	SC1CCCCC1	0.83	1.0
Compound_2272	N#Cc1ccccc1	0.86	1.0
Compound_2273	N#Cc1ccccc1	0.86	1.0
Compound_2274	N#Cc1ccccc1N=Cc1cc(ccc1Cl)N(=O)=O	0.56	1.0
Compound_2275	N#Cc1cccc(c1)N(=O)=O	0.9	1.0
Compound_2276	N#Cc1ccc(cc1)N(=O)=O	0.9	1.0
Compound_2277	N#Cc1ccc(cc1)Br	0.93	1.0
Compound_2278	N#Cc1ccccc1Br	0.82	1.0
Compound_2279	BrCc1ccc(cc1)c1ccccc1C#N	0.84	1.0
Compound_2280	C=CC(=O)Oc1ccc(cc1)c1ccc(cc1)C#N	0.79	1.0
Compound_2281	CC(C(C(C)C)Oc1cccc(c1C#N)C#N)C	0.67	1.0
Compound_2282	CC(CC(C)C)COc1cccc(c1C#N)C#N	0.6	1.0
Compound_2283	N#Cc1ccc2c3c1c(ccc3c1c3c2ccc(c3c(cc1)C#N)C(=O)OCC(C)C)C(=O)OCC(C)C	0.47	0.0
Compound_2284	CCC(COc1ccc(cc1)c1ccc(cc1)C#N)C	0.76	1.0
Compound_2285	CCC1CCC(CC1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2286	CCC1CCC(CC1)c1cnc(nc1)c1ccc(cc1)C#N	0.53	1.0
Compound_2287	CCC1COC(OC1)c1cc(F)c(c(c1)F)C#N	0.64	1.0
Compound_2288	N#Cc1cc(C)ccc1C	0.83	1.0
Compound_2289	N#Cc1ccc(cc1)C	0.91	1.0
Compound_2290	N#Cc1ccccc1c1ccc(cc1)C	0.84	1.0
Compound_2291	CCCC1COC(OC1)c1ccc(cc1)C#N	0.66	1.0
Compound_2292	CCCC1COC(OC1)c1ccc(cc1)C#N	0.66	1.0
Compound_2293	CCc1ccc(cc1)c1ccc(cc1)C#N	0.79	1.0
Compound_2294	CCC1CCC(CC1)C(=O)Oc1ccc(c(c1)F)C#N	0.65	1.0
Compound_2295	CCCCC1COC(OC1)c1ccc(cc1)C#N	0.64	1.0
Compound_2296	CCCCC1COC(OC1)c1ccc(cc1)C#N	0.64	1.0
Compound_2297	CCCc1ccc(cc1)c1ccc(c(c1)F)c1ccc(cc1)C#N	0.82	1.0
Compound_2298	CCCc1ccc(cc1)c1ccc(cc1)C#N	0.83	1.0
Compound_2299	CCCc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C#N	0.83	1.0
Compound_2300	CCCc1ccc(cc1)c1ccc(cc1F)c1ccc(cc1)C#N	0.82	1.0
Compound_2301	CCCCCC1COC(OC1)c1ccc(cc1)C#N	0.61	1.0
Compound_2302	CCCCCC1COC(OC1)c1ccc(cc1)C#N	0.61	1.0
Compound_2303	CCCCc1ccc(cc1)c1ccc(cc1)C#N	0.76	1.0
Compound_2304	CCCCc1ccc(cc1)c1cnc(nc1)c1ccc(cc1)C#N	0.57	1.0
Compound_2305	CCCCCc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2306	CCCCCc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2307	CCCCCc1cnc(nc1)c1ccc(cc1)C#N	0.55	1.0
Compound_2308	CCCCCCc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2309	CCCCCCC1COC(OC1)c1ccc(cc1)C#N	0.61	1.0
Compound_2310	CCCCCCCc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2311	CCCCCCCc1cnc(nc1)c1ccc(cc1)C#N	0.54	1.0
Compound_2312	CCCCCCCCc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2313	CCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2314	CCCCCCOc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2315	CCCCCOc1ccc(cc1)c1ccc(cc1)C#N	0.73	1.0
Compound_2316	CCCCOc1ccc(cc1)c1ccc(cc1)C#N	0.75	1.0
Compound_2317	CCCOc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_2318	CCOc1ccc(cc1)c1ccc(cc1)C#N	0.81	1.0
Compound_2319	N#Cc1ccc(cc1)Cl	0.92	1.0
Compound_2320	N#Cc1cccc(c1)Cl	0.92	1.0
Compound_2321	N#Cc1ccccc1Cl	0.81	1.0
Compound_2322	ClCc1ccc(cc1)C#N	0.87	1.0
Compound_2323	CNC(=O)c1cc(C#N)cc(c1N)C	0.5	0.0
Compound_2324	COC(=O)c1ccc(cc1)C#N	0.83	1.0
Compound_2325	COc1cc(C#N)cc(c1OC)OC	0.64	1.0
Compound_2326	COc1ccc(cc1)C#N	0.71	1.0
Compound_2327	COP(=S)(Oc1ccc(cc1)C#N)OC	0.91	1.0
Compound_2328	N#Cc1ccc(cc1)C(F)(F)F	0.75	1.0
Compound_2329	N#Cc1ccccc1F	0.75	1.0
Compound_2330	N#Cc1cccc(c1)F	0.85	1.0
Compound_2331	N#Cc1ccc(cc1)F	0.85	1.0
Compound_2332	N#Cc1cccc(c1)C#N	0.89	1.0
Compound_2333	N#Cc1ccc(cc1)C#N	0.89	1.0
Compound_2334	N#Cc1ccc(cc1)c1ccccc1	0.67	1.0
Compound_2335	N#Cc1ccc2c(c1)cc[nH]2	0.88	1.0
Compound_2336	N#Cc1ccc(cc1N)Cl	0.92	1.0
Compound_2337	N#Cc1ccccc1N	0.9	1.0
Compound_2338	N#Cc1ccc(cc1)N	0.95	1.0
Compound_2339	O=Cc1ccc(cc1)C#N	0.78	1.0
Compound_2340	N#Cc1ccccc1N=C(c1snc(c1Cl)Cl)O	0.38	0.0
Compound_2341	N#Cc1ccc(cc1)NCC(=O)O	0.12	0.0
Compound_2342	N#Cc1ccc(cc1)O	0.77	1.0
Compound_2343	N#Cc1ccc(cc1)c1ccc(cc1)O	0.68	1.0
Compound_2344	N#Cc1ccc2c(c1)ccc(c2)O	0.91	1.0
Compound_2345	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)Nc1cccc(c1)OS(=O)(=O)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	0.51	1.0
Compound_2346	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)Nc1cccc(c1)OS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.51	1.0
Compound_2347	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)Nc1cccc(c1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.51	1.0
Compound_2348	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)Nc1cccc(c1)OS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.51	1.0
Compound_2349	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)Nc1cccc(c1)OS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.51	1.0
Compound_2350	OCCS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)N	0.13	0.0
Compound_2351	Nc1cccc(c1)NC(=O)c1ccccc1	0.66	1.0
Compound_2352	O=C(c1ccccc1)Nc1cccc(c1)n1[nH]nnc1=S	0.36	0.0
Compound_2353	O=C(c1ccccc1)Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1	0.41	0.0
Compound_2354	O=C(c1ccc(cc1)C(=O)Nc1ccccc1C(=O)O)Nc1ccccc1C(=O)O	0.18	0.0
Compound_2355	ON(C(=O)c1ccccc1)c1ccccc1	0.68	1.0
Compound_2356	c1ccco1	0.94	1.0
Compound_2357	c1ccc2c(c1)occ2	0.96	1.0
Compound_2358	C1COc2c(O1)csc2	0.82	1.0
Compound_2359	Cc1cscc1	0.96	1.0
Compound_2360	O=Cc1cscc1	0.93	1.0
Compound_2361	c1ccc2c(c1)oc(n2)c1ccc(s1)c1nc2c(o1)cccc2	0.67	1.0
Compound_2362	OCc1cscc1	0.62	1.0
Compound_2363	c1cccs1	0.96	1.0
Compound_2364	c1ccc2c(c1)scc2	0.96	1.0
Compound_2365	OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1	0.0	0.0
Compound_2366	CCn1c(C)cc(c1C)C=Cc1oc2c([n+]1CC)cccc2	0.29	0.0
Compound_2367	CCOc1ccc(cc1)[N+](=C1C=CC(=c2c3cccc4c3c(n2CC)ccc4)C=C1)C	0.21	0.0
Compound_2368	C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C	0.33	0.0
Compound_2369	C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C	0.33	0.0
Compound_2370	Cn1c2ccccc2c(c1c1ccccc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2	0.21	0.0
Compound_2371	CCCCCCOC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN=C1O	0.07	0.0
Compound_2372	OCC1OC(C(C1O)O)n1cc(c2c1ncnc2N)I	0.1	0.0
Compound_2373	CNC1CC2OC(C1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O	0.02	0.0
Compound_2374	COC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O	0.06	0.0
Compound_2375	COC(=O)C1(OC)CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C	0.12	0.0
Compound_2376	OC(=O)CC(CC(C=Cc1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O	0.11	0.0
Compound_2377	OC(=O)CC(CC(C=Cc1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O	0.11	0.0
Compound_2378	c1ccc(cc1)CC(n1ccc2c1cccc2)n1ccc2c1cccc2	0.32	0.0
Compound_2379	c1ccn(c1)Cc1ccco1	0.39	0.0
Compound_2380	CCn1c(=C2C=CC(=[N+](CC)CC)C=C2)c2c3c1ccc(c3ccc2)Br	0.12	0.0
Compound_2381	O=C(OC(C)(C)C)CC1CC(CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2)OC(O1)(C)C	0.07	0.0
Compound_2382	Clc1ccc(cc1)Cn1c2ccc(cc2c(c1CC(C(=O)O)(C)C)SC(C)(C)C)C(C)C	0.19	0.0
Compound_2383	CC(CC(n1ccc2c1cccc2)n1ccc2c1cccc2)CCC=C(C)C	0.19	0.0
Compound_2384	CC(C=Cn1ccc2c1cccc2)CCCC(O)(C)C	0.2	0.0
Compound_2385	CC(CC(n1ccc2c1cccc2)n1ccc2c1cccc2)CCCC(O)(C)C	0.15	0.0
Compound_2386	OCCCC(C1=CCC(CC1)n1ccc2c1cc(C)cc2C)(C)C	0.13	0.0
Compound_2387	CCCCCCCCC=CCCCCCCCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC	0.09	0.0
Compound_2388	CCCCCCCCn1c(C)c(c2c1cccc2)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)CCCCCCCC	0.1	0.0
Compound_2389	CCCCn1c(C)c(c2c1cccc2)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)CCCC	0.14	0.0
Compound_2390	CCn1c2ccccc2c2c1cccc2	0.34	0.0
Compound_2391	CCn1c2ccc3c(c2c2c1cccc2)oc1c(n3)c(Cl)c2c(c1Cl)nc1c(o2)c2c(cc1)n(c1c2cccc1)CC	0.25	0.0
Compound_2392	CCn1c2cc3oc4c(nc3cc2c2c1cccc2)c(Cl)c1c(c4Cl)nc2c(o1)cc1c(c2)c2ccccc2n1CC	0.26	0.0
Compound_2393	CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N	0.42	0.0
Compound_2394	CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C	0.05	0.0
Compound_2395	Cn1c(cc2c1cccc2)c1ccccc1	0.35	0.0
Compound_2396	O=c1n(C)c(c2c1c(c1ccccc1)n(c2=O)C)c1ccccc1	0.09	0.0
Compound_2397	Cn1cccc1	0.36	0.0
Compound_2398	CC(=O)c1cccn1C	0.34	0.0
Compound_2399	N#CCCn1c2ccccc2c2c1c1c(c3c2CNC3=O)c2c(n1C)cccc2	0.05	0.0
Compound_2400	NC(=N)SCCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C	0.06	0.0
Compound_2401	OCCn1c2ccccc2c2c1cccc2	0.2	0.0
Compound_2402	c1cccnc1	0.86	1.0
Compound_2403	c1cccnc1	0.86	1.0
Compound_2404	c1cccnc1	0.86	1.0
Compound_2405	c1cccnc1	0.86	1.0
Compound_2406	c1cccnc1	0.86	1.0
Compound_2407	c1cccnc1	0.86	1.0
Compound_2408	c1cccnc1	0.86	1.0
Compound_2409	c1cccnc1	0.86	1.0
Compound_2410	S=c1ccccn1O	0.48	0.0
Compound_2411	S=c1ccccn1O	0.48	0.0
Compound_2412	Nc1ccc(cn1)I	0.43	0.0
Compound_2413	O=n1ccccc1SSc1ccccn1=O	0.52	1.0
Compound_2414	OS(=O)(=O)c1ccc(cc1)c1nc(nnc1c1ccc(cc1)S(=O)(=O)O)c1ccccn1	0.42	0.0
Compound_2415	OS(=O)(=O)c1ccc(cc1)c1nc(nnc1c1ccc(cc1)S(=O)(=O)O)c1ccccn1	0.42	0.0
Compound_2416	OC(=O)c1ccncc1	0.49	0.0
Compound_2417	Brc1ccccn1	0.87	1.0
Compound_2418	Brc1cccnc1	0.88	1.0
Compound_2419	c1ccc(cc1)Cc1ccccn1	0.69	1.0
Compound_2420	c1ccc(cc1)Cc1ccncc1	0.92	1.0
Compound_2421	c1ccc(cc1)CCCc1ccncc1	0.96	1.0
Compound_2422	C(Cc1ccncc1)Cc1ccncc1	0.92	1.0
Compound_2423	C(N=Cc1ccccn1)CN=Cc1ccccn1	0.35	0.0
Compound_2424	C=Cc1ccncc1	0.86	1.0
Compound_2425	C=Cc1ccccn1	0.86	1.0
Compound_2426	n1ccc(cc1)c1ccncc1	0.88	1.0
Compound_2427	c1ccc(cc1)c1nc(nnc1c1ccccc1)c1ccccn1	0.76	1.0
Compound_2428	c1ccc(nc1)c1ccccn1	0.86	1.0
Compound_2429	n1ccc(cc1)c1ccccn1	0.88	1.0
Compound_2430	c1ccc(nc1)c1cccnc1	0.89	1.0
Compound_2431	c1ccc(nc1)c1nc(nc(n1)c1ccccn1)c1ccccn1	0.72	1.0
Compound_2432	C1CCc2c(C1)cncc2	0.84	1.0
Compound_2433	Cc1ccc(cn1)C(=C)C	0.8	1.0
Compound_2434	CC(=O)c1cccnc1	0.48	0.0
Compound_2435	CC(Cc1cccnc1)(C)C	0.7	1.0
Compound_2436	CC(=CCCc1ccncc1)CCC=C(C)C	0.52	1.0
Compound_2437	CC(Cc1cccnc1)C	0.8	1.0
Compound_2438	OCc1c(CO)cnc(c1O)C	0.19	0.0
Compound_2439	Cc1cncc(c1)C	0.87	1.0
Compound_2440	Cc1cc(C)nc(c1)C	0.85	1.0
Compound_2441	Cc1cc(C)nc(c1)N	0.38	0.0
Compound_2442	Nc1ccc(cn1)C	0.36	0.0
Compound_2443	Cc1cccc(n1)C	0.88	1.0
Compound_2444	Cc1cccnc1	0.89	1.0
Compound_2445	Cc1ccnc(c1)c1nccc(c1)C	0.85	1.0
Compound_2446	Cc1ccnc(c1)C	0.88	1.0
Compound_2447	Cc1ccncc1	0.89	1.0
Compound_2448	Clc1ccc(cn1)C	0.89	1.0
Compound_2449	Cc1cccc(n1)N	0.36	0.0
Compound_2450	Cc1ccccn1	0.92	1.0
Compound_2451	CCc1cccnc1	0.88	1.0
Compound_2452	CCc1ccncc1	0.88	1.0
Compound_2453	CCc1ccc(nc1)C	0.83	1.0
Compound_2454	CCCCCCc1ccc(nc1)C	0.56	1.0
Compound_2455	CCN(c1ccc(c(n1)C)N=C1c2nnc(n2N=C1C(C)(C)C)c1cccc(c1)C)CC	0.21	0.0
Compound_2456	CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2	0.02	0.0
Compound_2457	CCS(=O)(=O)c1nc2n(c1S(=O)(=O)N)cccc2	0.27	0.0
Compound_2458	Brc1ccncc1	0.88	1.0
Compound_2459	O=Cc1c(CO)cnc(c1O)C	0.3	0.0
Compound_2460	OCc1c(CO)cnc(c1O)C	0.19	0.0
Compound_2461	NCc1c(CO)cnc(c1O)C	0.16	0.0
Compound_2462	CNc1nc(OC)ccc1N	0.18	0.0
Compound_2463	Clc1ccncc1	0.88	1.0
Compound_2464	Clc1ccccn1	0.86	1.0
Compound_2465	ClCc1ccc(nc1)Cl	0.8	1.0
Compound_2466	O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)Oc1ccccc1	0.4	0.0
Compound_2467	CN(C(=O)c1cccnc1S(=O)(=O)N)C	0.29	0.0
Compound_2468	CNc1ccccn1	0.39	0.0
Compound_2469	NC(=O)c1cccnc1	0.71	1.0
Compound_2470	Brc1cnc(c(c1)Br)N	0.43	0.0
Compound_2471	Oc1cccnc1N	0.38	0.0
Compound_2472	Nc1cccc(n1)N	0.38	0.0
Compound_2473	Nc1ccccn1	0.33	0.0
Compound_2474	Nc1cccnc1	0.34	0.0
Compound_2475	Nc1ccc(cn1)Br	0.45	0.0
Compound_2476	NCc1cccnc1	0.38	0.0
Compound_2477	O=Cc1ccccn1	0.68	1.0
Compound_2478	O=Cc1ccncc1	0.63	1.0
Compound_2479	COc1ccc(cc1)CN(c1ccccn1)CCN(C)C	0.0	0.0
Compound_2480	OC(=O)c1nc(Cl)ccc1C(=O)O	0.45	0.0
Compound_2481	OC(=O)c1ncccc1C(=O)O	0.34	0.0
Compound_2482	OC(=O)c1cccnc1SCc1ccccc1	0.42	0.0
Compound_2483	Oc1cncc(c1)C(=O)O	0.43	0.0
Compound_2484	OC(=O)c1ccc(cn1)C(=O)O	0.38	0.0
Compound_2485	OC(=O)c1cccc(n1)C(=O)O	0.44	0.0
Compound_2486	OC(=O)c1ccccn1	0.58	1.0
Compound_2487	OC(=O)c1cccnc1	0.35	0.0
Compound_2488	OC(=O)c1cccnc1Cl	0.63	1.0
Compound_2489	OC(=O)Cc1cccnc1	0.44	0.0
Compound_2490	Oc1ccccn1=O	0.57	1.0
Compound_2491	Oc1ccncc1	0.69	1.0
Compound_2492	Oc1cccnc1	0.9	1.0
Compound_2493	OCc1cccnc1	0.52	1.0
Compound_2494	ON=Cc1ccccn1	0.53	1.0
Compound_2495	OS(=O)(=O)c1cccnc1	0.32	0.0
Compound_2496	c1ccc(nc1)SSc1ccccn1	0.7	1.0
Compound_2497	SCCc1ccncc1	0.67	1.0
Compound_2498	C[n+]1c(cc(n1C)c1ccccc1)c1ccccc1	0.47	0.0
Compound_2499	C[n+]1c(cc(n1C)c1ccccc1)c1ccccc1	0.47	0.0
Compound_2500	Cc1cnn(c1)C	0.66	1.0
Compound_2501	CC(=Nc1ccc(cc1)c1cc(n(n1)C)N=C(O)C)O	0.27	0.0
Compound_2502	c1ccn[nH]1	0.75	1.0
Compound_2503	O=C(C(C)C)Oc1c(C)occc1=O	0.28	0.0
Compound_2504	Cc1cc(oc(=O)c1)C(C)C	0.48	0.0
Compound_2505	Cc1cc(C)oc(=O)c1	0.5	0.0
Compound_2506	CCC(=O)Oc1c(C)occc1=O	0.39	0.0
Compound_2507	CCCCCc1ccc(c(=O)o1)C(=O)O	0.59	1.0
Compound_2508	CCCCCc1cccc(=O)o1	0.68	1.0
Compound_2509	O=c1occc2c1cccc2	0.65	1.0
Compound_2510	OC(=O)c1oc(cc(=O)c1)C(=O)O	0.44	0.0
Compound_2511	Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N	0.18	0.0
Compound_2512	Nc1ccc2c(c1)[n+](c1ccccc1)c1c(n2)ccc(c1)N	0.27	0.0
Compound_2513	Nc1ccc(cc1)S(=O)(=O)Nc1cncc(n1)Cl	0.16	0.0
Compound_2514	c1ccc2c(c1)nc1c(n2)cccc1	0.97	1.0
Compound_2515	n1ccncc1	0.84	1.0
Compound_2516	C1CCc2c(C1)nccn2	0.71	1.0
Compound_2517	CC(=O)c1nccnc1C	0.44	0.0
Compound_2518	Cc1cnc(c(n1)C)C(=O)C	0.44	0.0
Compound_2519	CC(=O)c1cnccn1	0.54	1.0
Compound_2520	CC(c1nccnc1)(C)C	0.66	1.0
Compound_2521	Cc1cnc(c(n1)C(C)C)C	0.72	1.0
Compound_2522	CC(Cc1nccnc1C)C	0.46	0.0
Compound_2523	Cc1nc2ccccc2nc1C	0.8	1.0
Compound_2524	Cc1nccnc1C	0.73	1.0
Compound_2525	Cc1cccc2c1nccn2	0.96	1.0
Compound_2526	Cc1ccc2c(c1)nc(c(n2)Cl)Cl	0.84	1.0
Compound_2527	Oc1ccc2c(c1)nc1c(n2)cc(c(c1)N)C	0.17	0.0
Compound_2528	Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2	0.3	0.0
Compound_2529	Cc1ccc2c(c1)nc(c(n2)S)S	0.55	1.0
Compound_2530	Cc1ccc2c(c1)nc1c(n2)sc(=O)s1	0.41	0.0
Compound_2531	Cc1cnc(c(n1)C)C	0.73	1.0
Compound_2532	Cc1ncc(nc1)C	0.83	1.0
Compound_2533	Cc1cnc(cn1)C(=O)O	0.47	0.0
Compound_2534	Cc1cncc(n1)C	0.83	1.0
Compound_2535	Cc1nc(C)c(nc1C)C	0.73	1.0
Compound_2536	Cc1cnccn1	0.87	1.0
Compound_2537	CC1CCc2c1nccn2	0.54	1.0
Compound_2538	CCC(c1nccnc1OC)C	0.5	0.0
Compound_2539	CCc1ncc(nc1C)C	0.51	1.0
Compound_2540	CCc1nc(C)cnc1C	0.44	0.0
Compound_2541	CCc1nc(C)cnc1CC	0.44	0.0
Compound_2542	CCc1nccnc1C(=O)C	0.34	0.0
Compound_2543	COc1nccnc1CC	0.41	0.0
Compound_2544	CCc1cnc(cn1)C	0.63	1.0
Compound_2545	CCc1cnccn1	0.67	1.0
Compound_2546	CCc1cncc(n1)C	0.56	1.0
Compound_2547	CCc1nccnc1C	0.5	0.0
Compound_2548	CCc1nccnc1CC	0.44	0.0
Compound_2549	Cc1nccnc1CCC	0.33	0.0
Compound_2550	Cc1nccnc1CCCC	0.33	0.0
Compound_2551	CCCOc1cncc(n1)C	0.52	1.0
Compound_2552	Cc1nccnc1OCC	0.49	0.0
Compound_2553	Cn1c2ccccc2n(c2c1cccc2)C	0.32	0.0
Compound_2554	COc1nccnc1C(C)C	0.6	1.0
Compound_2555	COc1cnccn1	0.7	1.0
Compound_2556	COc1nccnc1C	0.56	1.0
Compound_2557	COc1nccnc1CC(C)C	0.41	0.0
Compound_2558	COc1nccnc1CCCC(C)C	0.33	0.0
Compound_2559	C[n+]1c2ccccc2nc2c1cccc2	0.32	0.0
Compound_2560	CSc1nccnc1C	0.58	1.0
Compound_2561	CSc1nccnc1C(C)C	0.59	1.0
Compound_2562	c1ccc2c(c1)nc1c(n2)[nH]c2c([nH]1)nc1c(n2)cccc1	0.21	0.0
Compound_2563	OC(=O)c1nccnc1N	0.14	0.0
Compound_2564	OC(=O)c1cnccn1	0.46	0.0
Compound_2565	Oc1cnc2c(n1)cccc2	0.84	1.0
Compound_2566	SCCc1cnccn1	0.55	1.0
Compound_2567	Cc1sc(nc1C)n1nc(n[n+]1c1ccccc1)c1ccccc1	0.64	1.0
Compound_2568	OCCc1sc[n+](c1C)Cc1cnc(nc1N)C	0.04	0.0
Compound_2569	OCCc1sc[n+](c1C)Cc1cnc(nc1N)C	0.04	0.0
Compound_2570	OCCc1sc[n+](c1C)Cc1cnc(nc1N)C	0.04	0.0
Compound_2571	Cc1ncc(c(n1)N)C[n+]1csc(c1C)CCOP(=O)(OP(=O)(O)O)O	0.05	0.0
Compound_2572	CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C	0.03	0.0
Compound_2573	CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nc(c(s1)CC(=O)O)C	0.01	0.0
Compound_2574	Cc1nc(c(s1)C(=O)C)C	0.52	1.0
Compound_2575	CC(=O)c1nccs1	0.63	1.0
Compound_2576	CC(=O)OCCc1scnc1C	0.41	0.0
Compound_2577	Cc1csc(n1)C(C)C	0.72	1.0
Compound_2578	CC(Cc1nccs1)C	0.51	1.0
Compound_2579	Cc1scnc1C	0.72	1.0
Compound_2580	OCCc1sc(=S)n(c1C)Cc1cnc(nc1N)C	0.09	0.0
Compound_2581	Cc1ncsc1CCO	0.51	1.0
Compound_2582	Cc1ncsc1C=C	0.72	1.0
Compound_2583	Cc1cscn1	0.79	1.0
Compound_2584	Cc1sc(c(n1)C)C	0.71	1.0
Compound_2585	Cc1scc(n1)C	0.75	1.0
Compound_2586	CCc1scc(n1)C	0.48	0.0
Compound_2587	CCCCc1ncsc1C	0.39	0.0
Compound_2588	Cc1ccc(c(c1)C)N=c1sccn1C	0.27	0.0
Compound_2589	Nc1ncc(s1)N(=O)=O	0.61	1.0
Compound_2590	Nc1nccs1	0.59	1.0
Compound_2591	OC(=O)Cc1csc(n1)S	0.26	0.0
Compound_2592	OC1=NC(=Nc2nc3c([nH]2)cccc3)c2c1cccc2	0.15	0.0
Compound_2593	S=c1[nH]c2c([nH]1)cc(cc2)S(=O)(=O)O	0.53	1.0
Compound_2594	S=c1[nH]c2c([nH]1)cc(cc2)S(=O)(=O)O	0.53	1.0
Compound_2595	OS(=O)(=O)c1cc(cc2c1[nH]c(n2)c1ccc(cc1)c1nc2c([nH]1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	0.49	0.0
Compound_2596	O=N(=O)c1ccc2c(c1)nc[nH]2	0.53	1.0
Compound_2597	Sc1nc2c([nH]1)cccc2	0.45	0.0
Compound_2598	c1ccc2c(c1)c(ccc2)Cc1nc2c([nH]1)cccc2	0.38	0.0
Compound_2599	O=C(Nc1ccc2c(c1)[nH]c(=O)[nH]2)CC(=O)C	0.25	0.0
Compound_2600	CC(CC(C)(C)C)Cc1nc2c([nH]1)cccc2	0.21	0.0
Compound_2601	Cc1cc2[nH]cnc2cc1C	0.76	1.0
Compound_2602	CCCc1nc2c([nH]1)cc(cc2C)C(=O)O	0.17	0.0
Compound_2603	CCCCC(c1nc2c([nH]1)cccc2)CC	0.3	0.0
Compound_2604	CCCCCCCCc1nc2c([nH]1)cccc2	0.19	0.0
Compound_2605	CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC	0.12	0.0
Compound_2606	CCOc1ccc(cc1)c1nc2c([nH]1)cc(cc2)c1nc2c([nH]1)cc(cc2)N1CCN(CC1)C	0.01	0.0
Compound_2607	O=N(=O)c1ccc2c(c1)nc[nH]2	0.53	1.0
Compound_2608	CN1CCN(CC1)c1ccc2c(c1)[nH]c(n2)c1ccc2c(c1)[nH]c(n2)c1ccc(cc1)O	0.01	0.0
Compound_2609	Clc1ccc(cc1)Cc1nc2c([nH]1)cccc2	0.36	0.0
Compound_2610	COC(=O)Nc1nc2c([nH]1)cccc2	0.7	1.0
Compound_2611	c1ccc2c(c1)[nH]cn2	0.73	1.0
Compound_2612	c1scc(n1)c1nc2c([nH]1)cccc2	0.32	0.0
Compound_2613	c1ccc(cc1)c1nc2c([nH]1)cccc2	0.52	1.0
Compound_2614	Nc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)N	0.35	0.0
Compound_2615	Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.3	0.0
Compound_2616	Nc1nc2c([nH]1)cccc2	0.67	1.0
Compound_2617	NCCCCCc1nc2c([nH]1)cccc2	0.13	0.0
Compound_2618	O=N(=O)c1ccc2c(c1)[nH]cn2	0.53	1.0
Compound_2619	OS(=O)(=O)c1ccc2c(c1)nc([nH]2)c1ccccc1	0.46	0.0
Compound_2620	S=c1[nH]c2c([nH]1)cccc2	0.37	0.0
Compound_2621	CCN(c1ccc2c(c1)oc(=O)c(c2)c1n(C)c2c([n+]1C)cccc2)CC	0.1	0.0
Compound_2622	CCCCCCCCCCCCCCCCCc1nc2c(n1Cc1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O)cccc2	0.24	0.0
Compound_2623	CCn1c2cc(Cl)c(cc2n(c1=CC=Cc1[n+](CC)c2c(n1CCCS(=O)(=O)O)cc(c(c2)Cl)C(F)(F)F)CCCS(=O)(=O)O)C(F)(F)F	0.2	0.0
Compound_2624	c1ccc2c(c1)n1CCCc1n2	0.28	0.0
Compound_2625	Cn1c2ccccc2n(c1=CN=[N+]=c1sc2c(n1C)cccc2)C	0.32	0.0
Compound_2626	COC1=CC2C(=CC(=c3n(C)c4c(n3C)cc(cc4)S(=O)(=O)C)O2)C=C1	0.21	0.0
Compound_2627	O=C(n1c(nc2c1cccc2)c1ccccc1)OC(C)(C)C	0.23	0.0
Compound_2628	CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2	0.01	0.0
Compound_2629	CC[n+]1c2cc(Cl)c(cc2n(c1C=CC=c1n(CC)c2c(n1CC)cc(c(c2)Cl)Cl)CCC(S(=O)(=O)[O-])C)Cl	0.2	0.0
Compound_2630	CCn1c(=CC=Nc2ccccc2)n(c2c1cc(Cl)c(c2)Cl)CC	0.18	0.0
Compound_2631	CC[n+]1c(C=CC=c2n(CCCCS(=O)(=O)[O-])c3c(n2CC)cc(c(c3)Cl)Cl)oc2c1cccc2	0.25	0.0
Compound_2632	CCn1c(C)nc2c1cc(Cl)c(c2)Cl	0.42	0.0
Compound_2633	CCn1c(C)nc2c1ccc(c2)Cl	0.42	0.0
Compound_2634	C[n+]1c(N=NC=c2n(C)c3c(n2C)cccc3)sc2c1cccc2	0.33	0.0
Compound_2635	COC1=CC2C(=CC(=c3n(C)c4c(n3C)cc(cc4)S(=O)(=O)C)O2)C=C1	0.21	0.0
Compound_2636	COC1=CC2C(=NC(=c3n(C)c4c(n3C)cccc4)O2)C=C1	0.1	0.0
Compound_2637	CCCCCCCCCCCCCCCCCC[n+]1c2ccccc2n2c1CCC2	0.07	0.0
Compound_2638	OCC1OC(C(C1O)O)n1cnc2c1cc(Cl)c(c2)Cl	0.2	0.0
Compound_2639	C(CCCC[n+]1csc2c1cccc2)CCCCC[n+]1csc2c1cccc2	0.06	0.0
Compound_2640	C=CC[n+]1csc2c1cccc2	0.42	0.0
Compound_2641	Cc1ccc2c(c1)sc([n+]2C(=C)C)C	0.39	0.0
Compound_2642	OCC[N+](=C1C=CC(=NN=c2sc3c(n2C)ccc(c3)OC)C=C1)CC	0.1	0.0
Compound_2643	c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2	0.66	1.0
Compound_2644	Cc1ccc2c(c1)sc([n+]2C)c1ccc(cc1)N(C)C	0.23	0.0
Compound_2645	C[N+](=C1C=CC(=NN=c2sc3c(n2C)cccc3)C=C1)C	0.32	0.0
Compound_2646	Clc1ccc2c(c1)[nH]c(=S)s2	0.64	1.0
Compound_2647	C[n+]1csc2c1cccc2	0.46	0.0
Compound_2648	Sc1nc2c(s1)cccc2	0.73	1.0
Compound_2649	Sc1nc2c(s1)cccc2	0.73	1.0
Compound_2650	Sc1nc2c(s1)cccc2	0.73	1.0
Compound_2651	Sc1nc2c(s1)cccc2	0.73	1.0
Compound_2652	Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.52	1.0
Compound_2653	Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.52	1.0
Compound_2654	Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.52	1.0
Compound_2655	Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.52	1.0
Compound_2656	O=C1NC(=O)C(C(=O)N1)N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.31	0.0
Compound_2657	O=C1NC(=O)C(C(=O)N1)N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.31	0.0
Compound_2658	CC(=O)C(C(=O)Nc1ccc(c2c1cccc2)S(=O)(=O)O)N=Nc1ccc(cc1S(=O)(=O)O)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.33	0.0
Compound_2659	Nc1ccc(cc1S(=O)(=O)O)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.57	1.0
Compound_2660	Cc1ccc2c(c1S(=O)(=O)O)sc(n2)c1ccc(cc1)N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.57	1.0
Compound_2661	Cc1ccc2c(c1S(=O)(=O)O)sc(n2)c1ccc(cc1)NN=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.52	1.0
Compound_2662	N#CC(=Cc1ccc(cc1)N(CCS(=O)(=O)O)C)C(=O)Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.2	0.0
Compound_2663	OS(=O)(=O)CCCSc1nc2c(s1)cccc2	0.3	0.0
Compound_2664	N#CCC(=O)Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.28	0.0
Compound_2665	OCN1N=C(C(C1=O)N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O)C	0.45	0.0
Compound_2666	CC1N=NC(=O)C1N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.43	0.0
Compound_2667	CC1N=NC(=O)C1N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.43	0.0
Compound_2668	CC1N=NC(=O)C1N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.43	0.0
Compound_2669	CCn1c(=NN=c2sc3c(n2CC)ccc(c3)S(=O)(=O)O)sc2c1ccc(c2)S(=O)(=O)O	0.38	0.0
Compound_2670	O(CCNSc1nc2c(s1)cccc2)CCNSc1nc2c(s1)cccc2	0.15	0.0
Compound_2671	C(Sc1nc2c(s1)cccc2)Sc1nc2c(s1)cccc2	0.63	1.0
Compound_2672	C[n+]1csc2c1cccc2	0.46	0.0
Compound_2673	C1CCC(CC1)NSc1nc2c(s1)cccc2	0.34	0.0
Compound_2674	Nc1nc2c(s1)cc(cc2)C(C)(C)C	0.51	1.0
Compound_2675	CC(N(Sc1nc2c(s1)cccc2)Sc1nc2c(s1)cccc2)(C)C	0.52	1.0
Compound_2676	CC(NSc1nc2c(s1)cccc2)(C)C	0.47	0.0
Compound_2677	Cc1cccc2c1n1cnnc1s2	0.8	1.0
Compound_2678	Cc1ccc2c(c1)sc(n2)N	0.58	1.0
Compound_2679	Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C	0.5	0.0
Compound_2680	Nc1ccc(cc1S(=O)(=O)O)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.57	1.0
Compound_2681	Cc1sc2c(n1)cc(c(c2)C)C	0.73	1.0
Compound_2682	Cc1nc2c(s1)cccc2	0.79	1.0
Compound_2683	Cc1nc2c(s1)ccc1c2cccc1	0.82	1.0
Compound_2684	Cc1ccc2c(c1)nc(s2)C	0.76	1.0
Compound_2685	Clc1ccc2c(c1)nc(s2)C	0.72	1.0
Compound_2686	CC1=NN(C(=O)C1N=Nc1nc2c(s1)cccc2)c1ccccc1	0.28	0.0
Compound_2687	CCC(=Cc1sc2c([n+]1CCC(=O)O)cc(cc2)Cl)C=c1sc2c(n1CCC(=O)[O-])cc(cc2)Cl	0.12	0.0
Compound_2688	CCCCCOC(=O)C(=C1N=C(c2c1cccc2)Nc1sc2c(n1)ccc(c2)OC)C#N	0.14	0.0
Compound_2689	CCC(=Cc1sc2c([n+]1CCCS(=O)(=O)O)c1ccccc1cc2)C=c1sc2c(n1CCCS(=O)(=O)[O-])c1ccccc1cc2	0.22	0.0
Compound_2690	CCC(=Cc1sc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)C)C=c1sc2c(n1CCCS(=O)(=O)O)cc(cc2)C	0.24	0.0
Compound_2691	CCC(=Cc1sc2c([n+]1CCCS(=O)(=O)O)cc(cc2)Cl)C=c1sc2c(n1CCCS(=O)(=O)[O-])cc(cc2)Cl	0.24	0.0
Compound_2692	COc1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(s2)C=c1sc2c(n1CCCS(=O)(=O)O)cc(cc2)OC	0.19	0.0
Compound_2693	[O-]S(=O)(=O)CCC[n+]1c(sc2c1c1ccccc1cc2)C=c1sc2c(n1CCCS(=O)(=O)O)cccc2	0.18	0.0
Compound_2694	CCC(=Cc1sc2c([n+]1CCC(S(=O)(=O)[O-])C)cc(cc2)Cl)C=c1sc2c(n1CC)cc(cc2)Cl	0.27	0.0
Compound_2695	CCOc1ccc2c(c1)sc(n2)N	0.52	1.0
Compound_2696	ClCC[N+](=C1C=CC(=NN=c2sc3c(n2CCC(=N)[O-])ccc(c3)OC)C=C1)CCCl	0.13	0.0
Compound_2697	Clc1nc2c(s1)cccc2	0.71	1.0
Compound_2698	Cn1c(=S)sc2c1cccc2	0.44	0.0
Compound_2699	COc1cc2sc(nc2cc1OC)C	0.38	0.0
Compound_2700	COc1ccc2c(c1)nc(s2)C	0.49	0.0
Compound_2701	COc1ccc2c(c1)sc(n2)N	0.55	1.0
Compound_2702	COc1ccc2c(c1)[nH]c(=S)s2	0.55	1.0
Compound_2703	COc1ccc2c(c1)nc(s2)N	0.48	0.0
Compound_2704	Nc1nc2c(s1)cc(cc2)S(=O)(=O)C	0.38	0.0
Compound_2705	N#CSCSc1nc2c(s1)cccc2	0.6	1.0
Compound_2706	N#CSc1ccc2c(c1)sc(=N)[nH]2	0.52	1.0
Compound_2707	Fc1ccc2c(c1)sc(n2)N	0.5	0.0
Compound_2708	Nc1nc2c(s1)cccc2	0.58	1.0
Compound_2709	Nc1sc2c(n1)cc(c(c2)Cl)Cl	0.55	1.0
Compound_2710	Nc1nc2c(s1)cc(cc2)N(=O)=O	0.56	1.0
Compound_2711	Clc1ccc2c(c1)sc(n2)N	0.57	1.0
Compound_2712	O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1	0.45	0.0
Compound_2713	OC(=O)CC(C(=O)O)Sc1nc2c(s1)cccc2	0.23	0.0
Compound_2714	OC(=O)CSc1nc2c(s1)cccc2	0.39	0.0
Compound_2715	O=C1NC(=O)C(C(=O)N1)N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.31	0.0
Compound_2716	Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.52	1.0
Compound_2717	c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2	0.66	1.0
Compound_2718	c1ccc2c(c1)scn2	0.8	1.0
Compound_2719	Cc1nn(c(c1N=Nc1cc(Cl)c(cc1S(=O)(=O)O)Cl)N)c1cccc(c1)S(=O)(=O)O	0.46	0.0
Compound_2720	CC1=NN(C(=O)C1=Cc1c(C)nn(c1O)c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O	0.36	0.0
Compound_2721	Cc1nn(c(c1N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)O)N)c1ccccc1	0.49	0.0
Compound_2722	Cc1nn(c(c1N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)O)N)c1ccccc1	0.49	0.0
Compound_2723	Cc1nn(c(c1N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)O)N)c1ccccc1	0.49	0.0
Compound_2724	OC(=O)c1nn(c(c1C=Cc1cc(Cl)c(cc1Cl)S(=O)(=O)O)O)c1ccccc1	0.32	0.0
Compound_2725	Cc1nn(c(c1N=Nc1cccc(c1)S(=O)(=O)Nc1ccccc1)O)c1cc(ccc1Cl)S(=O)(=O)O	0.35	0.0
Compound_2726	CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O	0.24	0.0
Compound_2727	ON=C(c1ccc(cc1)N(=O)=O)Nc1n[nH]c(c1)C(C)(C)C	0.34	0.0
Compound_2728	Nc1ccc(cc1)c1nn2c(n1)cc([nH]2)C(C)(C)C	0.5	0.0
Compound_2729	CC(c1c(C)n(n(c1=O)c1ccccc1)C)C	0.32	0.0
Compound_2730	Cc1[nH]nc(c1I)C	0.75	1.0
Compound_2731	Cc1[nH]nc(c1)C	0.79	1.0
Compound_2732	CC1=NN(C(=O)C1=Cc1c(C)nn(c1O)c1ccccc1)c1ccccc1	0.25	0.0
Compound_2733	Cc1nn(c(c1)N)c1ccccc1	0.51	1.0
Compound_2734	CCCCCCCCCCCc1nn(c(c1C(Sc1n[nH]nn1)CC)Oc1cc(C(=O)NCCC(=O)O)c(c2c1cccc2)O)c1ccc(cc1)N(=O)=O	0.1	0.0
Compound_2735	CCCCCCCCCCCCS(=O)(=O)CCCc1n[nH]c2n1nc(c2Cl)C(C)(C)C	0.25	0.0
Compound_2736	Cn1nc(c(c1)C(=O)O)C(F)F	0.28	0.0
Compound_2737	Cc1c(Cc2c(C)n(n(c2=O)c2ccccc2)C)c(=O)n(n1C)c1ccccc1	0.29	0.0
Compound_2738	Cc1ccc(cc1)C(=O)COc1n(C)nc(c1C(=O)c1ccc(c(c1Cl)C)Cl)C	0.7	1.0
Compound_2739	Cc1n(C)c2c(c1N=[N+]=c1cc(n(n1c1ccccc1)C)C)cccc2	0.29	0.0
Compound_2740	N#Cc1nn(c(c1SSc1c(C#N)nn(c1N)c1c(Cl)cc(cc1Cl)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.31	0.0
Compound_2741	N#Cc1nn(c(c1)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.42	0.0
Compound_2742	Cc1n[nH]cc1C	0.75	1.0
Compound_2743	OS(=O)(=O)c1c2ccccc2cc(c1C(C)(C)C)C(C)(C)C	0.64	1.0
Compound_2744	CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)O	0.58	1.0
Compound_2745	C[N+]1=C(C=CN2N=C(CC2c2ccccc2)c2ccccc2)C(c2c1cccc2)(C)C	0.34	0.0
Compound_2746	Cc1[nH]c2c(c1C=CC1=[N+](C)c3c(C1(C)C)cccc3)cccc2	0.28	0.0
Compound_2747	CN(c1ccccc1)N=C(C1=[N+](C)c2c(C1(C)C)cccc2)C	0.42	0.0
Compound_2748	Cc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.42	0.0
Compound_2749	Cc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.42	0.0
Compound_2750	CN(c1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2	0.42	0.0
Compound_2751	CN(c1ccc2c(c1)cccc2)N=CC1=[N+](C)c2c(C1(C)C)cccc2	0.42	0.0
Compound_2752	COc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.44	0.0
Compound_2753	COc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.44	0.0
Compound_2754	COc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.44	0.0
Compound_2755	COc1ccc(cc1)N=CCC1=[N+](C)c2c(C1(C)C)cccc2	0.24	0.0
Compound_2756	COc1ccc(cc1)N=CCC1=[N+](C)c2c(C1(C)C)cccc2	0.24	0.0
Compound_2757	OC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.52	1.0
Compound_2758	CC(c1ccccc1S(=O)(=O)O)C	0.53	1.0
Compound_2759	CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)(C)C)O)(C)C	0.83	1.0
Compound_2760	CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)(C)C)O)(C)C	0.83	1.0
Compound_2761	CCC(c1cc2ccccc2c(c1C(CC)C)S(=O)(=O)O)C	0.63	1.0
Compound_2762	CC(c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C)(C)C	0.92	1.0
Compound_2763	CC(c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C)(C)C	0.92	1.0
Compound_2764	Brc1ccc(cc1)C1CCCCC1	0.93	1.0
Compound_2765	CC1CCC(CC1)c1ccc(cc1)O	0.88	1.0
Compound_2766	CC=CC1CCC(CC1)c1ccc(cc1)C#N	0.76	1.0
Compound_2767	C=CC1CCC(CC1)c1ccc(cc1)C#N	0.8	1.0
Compound_2768	C=CCCC1CCC(CC1)c1ccc(cc1)C#N	0.82	1.0
Compound_2769	CCC(c1ccc(cc1)O)(C)C	1.0	1.0
Compound_2770	CCC(c1ccc(cc1)O)(C)C	1.0	1.0
Compound_2771	C1=CCC(CC1)c1ccccc1	0.82	1.0
Compound_2772	C1CCC(CC1)c1ccccc1	0.84	1.0
Compound_2773	Cc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.42	0.0
Compound_2774	Cc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.42	0.0
Compound_2775	O=C(C(=C)C)CC(c1ccccc1)(C)C	0.81	1.0
Compound_2776	CC(=O)CC(c1ccccc1)(C)C	0.92	1.0
Compound_2777	CC(=O)OC(c1ccccc1)(C)C	0.87	1.0
Compound_2778	CC(=O)Oc1ccc(cc1)C(C)(C)C	0.84	1.0
Compound_2779	BrCc1ccc(cc1)C(C(=O)O)C	0.81	1.0
Compound_2780	O=C(CCc1cc(n2nc3c(n2)cccc3)c(c(c1)C(C)(C)C)O)OCCCCCCOC(=O)CCc1cc(n2nc3c(n2)cccc3)c(c(c1)C(C)(C)C)O	0.36	0.0
Compound_2781	Oc1ccccc1C(C)(C)C	0.99	1.0
Compound_2782	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	0.99	1.0
Compound_2783	Oc1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.92	1.0
Compound_2784	Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.99	1.0
Compound_2785	CC(c1cc(ccc1OP(c1ccc(cc1)c1ccc(cc1)P(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	0.88	1.0
Compound_2786	OC(=O)c1cc(cc(c1)C(C)(C)C)C(=O)O	0.73	1.0
Compound_2787	OC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.75	1.0
Compound_2788	CC(c1cc(cc(c1O)C(C)(C)C)c1ccccc1)(C)C	0.97	1.0
Compound_2789	OC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.52	1.0
Compound_2790	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCCCCCNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.05	0.0
Compound_2791	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCCNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.05	0.0
Compound_2792	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.64	1.0
Compound_2793	O=C(C(=O)NCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.03	0.0
Compound_2794	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCSCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.65	1.0
Compound_2795	OC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.63	1.0
Compound_2796	CC(c1cc(cc(c1O)C(C)(C)C)Cn1c(=O)n(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)c(=O)n(c1=O)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C	0.17	0.0
Compound_2797	OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.82	1.0
Compound_2798	CC(c1cc(CSCc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.81	1.0
Compound_2799	Clc1ccc2c(c1)nn(n2)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.94	1.0
Compound_2800	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)n1nc2c(n1)cccc2	0.95	1.0
Compound_2801	Oc1ccc(cc1n1nc2c(n1)cccc2)C(C)(C)C	0.95	1.0
Compound_2802	Oc1ccc(cc1O)C(C)(C)C	0.92	1.0
Compound_2803	Oc1ccc(c(c1)C(C)(C)C)O	0.97	1.0
Compound_2804	Oc1c(cc(cc1C(C)(C)C)c1ccc(cc1)C(C)(C)C)C(C)(C)C	0.97	1.0
Compound_2805	Oc1ccc(cc1C(C)(C)C)c1ccc(cc1)C(C)(C)C	0.97	1.0
Compound_2806	OC(=O)Cc1n[nH]c(n1)c1ccc(cc1)C(C)(C)C	0.24	0.0
Compound_2807	CC(c1ccc(cc1)c1nnc(o1)c1ccc(cc1)c1ccccc1)(C)C	0.54	1.0
Compound_2808	CC(c1ccc(cc1)N)(C)C	0.66	1.0
Compound_2809	CC(c1ccc(cc1)O)(C)C	0.99	1.0
Compound_2810	OC1CCCCC1Oc1ccc(cc1)C(C)(C)C	0.53	1.0
Compound_2811	C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C	0.53	1.0
Compound_2812	O=CCOc1ccc(cc1)C(C)(C)C	0.66	1.0
Compound_2813	CC(c1ccc(cc1)OCC1OC1)(C)C	0.66	1.0
Compound_2814	CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C)(C)C	0.95	1.0
Compound_2815	CC(c1ccc(cc1)OP(=O)(O)O)(C)C	0.6	1.0
Compound_2816	CC(c1ccc(cc1)S)(C)C	0.96	1.0
Compound_2817	CC(c1cccc(c1O)C(C)(C)C)(C)C	0.99	1.0
Compound_2818	O=Cc1cccc(c1O)C(C)(C)C	0.87	1.0
Compound_2819	Oc1cccc(c1)C(C)(C)C	0.99	1.0
Compound_2820	CC(c1ccccc1)(C)C	0.98	1.0
Compound_2821	CC(c1ccc2c(c1)nc(o2)c1ccc(c2c1cccc2)c1nc2c(o1)ccc(c2)C(C)(C)C)(C)C	0.59	1.0
Compound_2822	CC(c1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)C(C)(C)C)(C)C	0.53	1.0
Compound_2823	CC(c1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)C(C)(C)C)(C)C	0.53	1.0
Compound_2824	O=C1COc2c(OC1)ccc(c2)C(C)(C)C	0.54	1.0
Compound_2825	CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.64	1.0
Compound_2826	CC(c1ccc(cc1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.64	1.0
Compound_2827	CC(c1ccccc1)(OOC(C)(C)C)C	0.76	1.0
Compound_2828	CC(c1ccc(cc1)Nc1ccccc1)(c1ccc(cc1)C(c1ccc(cc1)Nc1ccccc1)(C)C)C	0.8	1.0
Compound_2829	CC(C(c1ccccc1)(C)C)(c1ccccc1)C	0.93	1.0
Compound_2830	CC(c1ccccc1)(c1ccc(cc1)Nc1ccc(cc1)C(c1ccccc1)(C)C)C	0.76	1.0
Compound_2831	CC(c1ccccc1)(c1ccc(cc1)Nc1ccccc1)C	0.8	1.0
Compound_2832	Oc1ccc(cc1)C(c1ccccc1)(C)C	0.94	1.0
Compound_2833	C=CC(=O)OCCOc1ccc(cc1)C(c1ccccc1)(C)C	0.66	1.0
Compound_2834	CC(c1ccccc1)(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(c1ccccc1)(C)C)Oc1ccc(cc1)C(c1ccccc1)(C)C)C	0.95	1.0
Compound_2835	CC(c1ccccc1)(N)C	0.55	1.0
Compound_2836	CC(c1ccccc1)(O)C	0.8	1.0
Compound_2837	OOC(c1ccccc1)(C)C	0.7	1.0
Compound_2838	CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C	0.89	1.0
Compound_2839	CC(C(c1ccc2c(c1)C(=O)c1c(C2=O)cccc1)C)C	0.81	1.0
Compound_2840	Oc1ccc(c(c1)C)C(C)C	0.99	1.0
Compound_2841	CC(c1c(C)cccc1O)C	0.99	1.0
Compound_2842	Cc1ccc(c(c1)C(C)C)O	0.99	1.0
Compound_2843	CC(c1ccccc1O)C	0.97	1.0
Compound_2844	CC(c1cccc(c1)C(C)C)C	0.96	1.0
Compound_2845	O=CCC(c1cccc(c1)C(C)C)C	0.87	1.0
Compound_2846	CC(c1cc(cc(c1S(=O)(=O)Cl)C(C)C)C(C)C)C	0.83	1.0
Compound_2847	CC(c1cc(C(C)C)c(c(c1N)C(C)C)N)C	0.82	1.0
Compound_2848	CC(c1c(N=C=O)c(cc(c1N=C=O)C(C)C)C(C)C)C	0.61	1.0
Compound_2849	CC(c1ccc(cc1)C=NN=Cc1ccc(cc1)C(C)C)C	0.69	1.0
Compound_2850	CC(c1ccc(c(c1)O)C)C	0.99	1.0
Compound_2851	Cc1ccc(cc1)C(C)C	0.96	1.0
Compound_2852	Cc1ccc(c(c1)O)C(C)C	0.99	1.0
Compound_2853	N#Cc1ccc(cc1)C(C)C	0.9	1.0
Compound_2854	O=C(C(O)(C)C)c1ccc(cc1)C(C)C	0.81	1.0
Compound_2855	CC(c1ccc(cc1)C(=O)CC(=O)c1ccccc1)C	0.77	1.0
Compound_2856	OOC(c1ccc(cc1)C(C)C)(C)C	0.74	1.0
Compound_2857	CC(c1ccc(cc1)C(=O)C)C	0.87	1.0
Compound_2858	CC(c1ccc(cc1)C(C)C)C	0.96	1.0
Compound_2859	O=CC(c1ccc(cc1)C(C)C)C	0.9	1.0
Compound_2860	CC(c1ccc(cc1)N=C=O)C	0.78	1.0
Compound_2861	O=Cc1ccc(cc1)C(C)C	0.93	1.0
Compound_2862	C=CCc1ccc(cc1)C(C)C	0.86	1.0
Compound_2863	O=CCCc1ccc(cc1)C(C)C	0.88	1.0
Compound_2864	OCCc1ccc(cc1)C(C)C	0.68	1.0
Compound_2865	OCc1ccc(cc1)C(C)C	0.53	1.0
Compound_2866	CC(=O)OCc1ccc(cc1)C(C)C	0.74	1.0
Compound_2867	O=COCc1ccc(cc1)C(C)C	0.78	1.0
Compound_2868	CC(c1ccc(cc1)N)C	0.85	1.0
Compound_2869	CC(c1ccc(cc1)O)C	0.92	1.0
Compound_2870	CC(c1ccc(cc1)S)C	0.95	1.0
Compound_2871	CC(c1cccc(c1N)C(C)C)C	0.86	1.0
Compound_2872	CC(c1c(N=C=Nc2c(cccc2C(C)C)C(C)C)c(cc(c1N=C=Nc1c(cccc1C(C)C)C(C)C)C(C)C)C(C)C)C	0.73	1.0
Compound_2873	CC(c1cccc(c1N=C=Nc1c(cccc1C(C)C)C(C)C)C(C)C)C	0.76	1.0
Compound_2874	CC(c1cccc(c1N=C=O)C(C)C)C	0.76	1.0
Compound_2875	CC(c1cccc(c1O)C(C)C)C	0.99	1.0
Compound_2876	Oc1cccc(c1)C(C)C	0.92	1.0
Compound_2877	CC(c1ccccc1)C	0.96	1.0
Compound_2878	CC(c1cccc2c1sc1ccccc1c2=O)C	0.94	1.0
Compound_2879	CC(c1ccc2c(c1)c(=O)c1c(s2)cccc1)C	0.94	1.0
Compound_2880	CC(c1ccc2c(c1)cnnc2)C	0.86	1.0
Compound_2881	CC(c1ccccc1)C[Si](O[Si](O)(O)O)(C)C	0.6	1.0
Compound_2882	CC(c1ccccc1)C=CC(=O)C	0.77	1.0
Compound_2883	O=CC(c1ccc(cc1)C)C	0.93	1.0
Compound_2884	O=CC(c1ccccc1)C	0.92	1.0
Compound_2885	CC(CC(c1ccccc1)(C)C)OC(=O)C	0.7	1.0
Compound_2886	CC(c1ccccc1)CC(c1ccc(c(c1)C)C)c1ccccc1	0.9	1.0
Compound_2887	O=CCC(c1ccccc1)C	0.91	1.0
Compound_2888	O=CC(Cc1cccc(c1)C(C)(C)C)C	0.97	1.0
Compound_2889	O=CC(Cc1ccc(cc1)C(C)C)C	0.86	1.0
Compound_2890	OCC(c1ccccc1)C	0.57	1.0
Compound_2891	C#CC(c1ccccc1)(O)C	0.77	1.0
Compound_2892	CCC1CCC(CC1)c1ccc(c(c1)F)B(O)O	0.65	1.0
Compound_2893	CCC1CCC(CC1)c1ccc(cc1)Br	0.85	1.0
Compound_2894	CCC1CCC(CC1)c1ccc(cc1)C#N	0.72	1.0
Compound_2895	CCC1CCC(CC1)c1ccc(cc1)c1ccc(c(c1)F)F	0.85	1.0
Compound_2896	CCC1CCC(CC1)c1ccc(cc1)O	0.88	1.0
Compound_2897	CC=CCCC1CCC(CC1)c1ccc(cc1)C#N	0.68	1.0
Compound_2898	O=C1NC(=O)NC(=O)C1(C)c1ccccc1	0.46	0.0
Compound_2899	CC1(C)c2cc(ccc2c2c1cccc2)N(c1ccccc1)c1ccccc1	0.6	1.0
Compound_2900	Oc1ccc(c(c1Oc1ccccc1)C)C(C)(C)C	0.91	1.0
Compound_2901	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.99	1.0
Compound_2902	Clc1ccc2c(c1)nn(n2)c1cc(C)cc(c1O)C(C)(C)C	0.94	1.0
Compound_2903	Cc1ccc(c(c1)C(C)(C)C)O	0.99	1.0
Compound_2904	Cc1cc(c(c(c1)C(C)(C)C)OP1OCC2(CO1)OCP(CO2)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)C(C)(C)C	0.6	1.0
Compound_2905	Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.99	1.0
Compound_2906	Cc1cc(C)cc(c1)C(C)(C)C	0.98	1.0
Compound_2907	CC(c1cc(C)c(c(c1)C)O)(c1ccc(cc1)C(c1cc(C)c(c(c1)C)O)(C)C)C	0.97	1.0
Compound_2908	Cc1cc(C)c(c(c1)C(C)(C)C)O	0.99	1.0
Compound_2909	O=C(OCC(C1OCC2(CO1)COC(OC2)C(COC(=O)CCc1cc(C)c(c(c1)C(C)(C)C)O)(C)C)(C)C)CCc1cc(C)c(c(c1)C(C)(C)C)O	0.43	0.0
Compound_2910	Cc1cc(c(cc1O)C)C(C)(C)C	0.99	1.0
Compound_2911	CC(c1cc(C2CCCCC2)c(cc1C)O)(c1cccc(c1)C(c1cc(C2CCCCC2)c(cc1C)O)(C)C)C	0.8	1.0
Compound_2912	C=CC1CCC(CC1)C=CC1CCC(CC1)c1ccc(cc1)C	0.8	1.0
Compound_2913	Cc1ccc(cc1)C(O)(C)C	0.83	1.0
Compound_2914	Cc1ccc(cc1)C(S)(C)C	0.98	1.0
Compound_2915	Cc1cc(ccc1C)C(c1ccccc1)(CCc1ccccc1)C	0.92	1.0
Compound_2916	Cc1cccc(c1O)C(C)(C)C	0.99	1.0
Compound_2917	CC1=Nc2c(C1(C)C)c1ccccc1cc2	0.59	1.0
Compound_2918	CC1=Nc2c(C1(C)C)cccc2	0.52	1.0
Compound_2919	O=C1Oc2c(C1C)ccc(c2)C	0.74	1.0
Compound_2920	CC1OC(C)OC(C1)(C)c1ccccc1	0.58	1.0
Compound_2921	CCC(=O)C1CCC(c2c1cccc2)(C)C	0.71	1.0
Compound_2922	CCC(=O)CC(c1ccccc1)(C)C	0.84	1.0
Compound_2923	CCC(c1ccccc1)C#N	0.93	1.0
Compound_2924	CCC(c1ccccc1)C(=O)O	0.72	1.0
Compound_2925	CCC(c1c(O)cccc1C(CC)(C)C)(C)C	0.96	1.0
Compound_2926	CCC(c1ccc(c(c1)C(CC)(C)C)O)(C)C	0.96	1.0
Compound_2927	CCC(c1cc(ccc1OCC(=O)Cl)C(CC)(C)C)(C)C	0.54	1.0
Compound_2928	CCC(c1cc(ccc1OCC(=O)O)C(CC)(C)C)(C)C	0.52	1.0
Compound_2929	N#CCCCOc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.53	1.0
Compound_2930	CCC(c1cc(ccc1OCCCC(=O)Cl)C(CC)(C)C)(C)C	0.67	1.0
Compound_2931	CCC(c1cc(ccc1OCCCC(=O)O)C(CC)(C)C)(C)C	0.4	0.0
Compound_2932	NCCCCOc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.23	0.0
Compound_2933	COCCN=C(COC1C=CC(c2c1cccc2)(O)C(=NCCCCOc1ccc(cc1C(CC)(C)C)C(CC)(C)C)O)O	0.19	0.0
Compound_2934	CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C	0.95	1.0
Compound_2935	CCC(c1ccccc1)(C)C	0.96	1.0
Compound_2936	CCC(c1ccccc1O)(C)C	0.96	1.0
Compound_2937	CCC(c1cc(ccc1O)C(C)(C)C)C	0.96	1.0
Compound_2938	CCC(c1ccccc1O)C	0.98	1.0
Compound_2939	CCC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.99	1.0
Compound_2940	CCC(c1cc(cc(c1O)n1nc2c(n1)cccc2)C(C)(C)C)C	0.95	1.0
Compound_2941	CCC(c1cc(C(CC)C)c(c(c1)C(CC)C)O)C	0.97	1.0
Compound_2942	CCC(c1ccc(cc1)N)C	0.7	1.0
Compound_2943	CCC(c1ccc(cc1)O)C	0.97	1.0
Compound_2944	CCC(c1ccccc1)C	0.95	1.0
Compound_2945	CCC(c1ccccc1N)C	0.66	1.0
Compound_2946	CCC(c1ccccc1OC(=O)NC)C	0.7	1.0
Compound_2947	CCc1cccc(c1)C(C=O)CC	0.93	1.0
Compound_2948	CCC(c1ccccc1)(C#N)CC	0.78	1.0
Compound_2949	CCC(C(=O)Cl)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.66	1.0
Compound_2950	CCC(C(=O)O)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.55	1.0
Compound_2951	CCCC1CCC(CC1)c1ccc(c(c1F)F)OCC	0.74	1.0
Compound_2952	CCCC1CCC(CC1)c1cc(F)c(c(c1)F)C#N	0.77	1.0
Compound_2953	CCCC1CCC(CC1)c1ccc(c(c1)F)c1cc(F)c(c(c1)F)F	0.9	1.0
Compound_2954	CCCC1CCC(CC1)c1ccc(cc1)Br	0.94	1.0
Compound_2955	CCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(c(c1F)F)OCC	0.79	1.0
Compound_2956	CCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(cc1)OC(F)(F)F	0.84	1.0
Compound_2957	CCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(cc1)OC	0.62	1.0
Compound_2958	CCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(cc1)OCC	0.72	1.0
Compound_2959	CCCC1CCC(CC1)c1ccc(cc1)C#N	0.82	1.0
Compound_2960	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1F)C1CCC(CC1)CCC	0.87	1.0
Compound_2961	CCCC1CCC(CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F	0.9	1.0
Compound_2962	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)Br	0.94	1.0
Compound_2963	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)CC	0.85	1.0
Compound_2964	CCCC1CCC(CC1)c1ccc(cc1)CC	0.81	1.0
Compound_2965	CCCC1CCC(CC1)c1ccc(cc1)Cl	0.95	1.0
Compound_2966	CCCC1CCC(CC1)c1ccc(cc1)O	0.94	1.0
Compound_2967	CCCC1CCC(CC1)c1ccc(cc1)OC(=O)CCC	0.73	1.0
Compound_2968	CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.99	1.0
Compound_2969	CCc1ccc(c(c1)C(C)(C)C)O	0.99	1.0
Compound_2970	CCC1CCC(CC1)c1cc(F)c(c(c1)F)C#N	0.72	1.0
Compound_2971	CCC1CCC(CC1)c1cc(F)c(c(c1)F)c1ccc(c(c1)F)F	0.85	1.0
Compound_2972	CCC1CCC(CC1)c1ccc(c(c1)F)C#N	0.72	1.0
Compound_2973	CCC1CCC(CC1)c1ccc(c(c1)F)c1cc(F)c(c(c1)F)F	0.85	1.0
Compound_2974	CCC1CCC(CC1)c1ccc(cc1)B(O)O	0.68	1.0
Compound_2975	CCC1CCC(CC1)c1ccc(cc1)C(=O)O	0.74	1.0
Compound_2976	CCC1CCC(CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F	0.85	1.0
Compound_2977	CCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)F	0.83	1.0
Compound_2978	CCCC1CCC(CC1)c1ccc(c(c1F)F)OC	0.58	1.0
Compound_2979	CCCC1CCC(CC1)c1cc(F)c(c(c1)F)c1ccc(c(c1)F)F	0.9	1.0
Compound_2980	CCCC1CCC(CC1)c1cc(F)c(c(c1)F)C(=O)O	0.72	1.0
Compound_2981	CCCC1CCC(CC1)c1ccc(c(c1)F)C#N	0.77	1.0
Compound_2982	CCCC1CCC(CC1)c1ccc(c(c1)F)O	0.74	1.0
Compound_2983	CCCC1CCC(CC1)c1ccc(cc1)B(O)O	0.73	1.0
Compound_2984	CCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(cc1)CC	0.83	1.0
Compound_2985	CCCC1CCC(CC1)c1ccc(cc1)C(=O)O	0.79	1.0
Compound_2986	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(c(c1F)F)OCC	0.8	1.0
Compound_2987	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(c(c1)F)F	0.9	1.0
Compound_2988	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)C1CCC(CC1)CCC	0.85	1.0
Compound_2989	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)F	0.89	1.0
Compound_2990	CCCC1CCC(CC1)c1ccc(cc1)c1ncc(cn1)CCC	0.61	1.0
Compound_2991	CCCC1CCC(CC1)c1ccc(cc1)OC	0.5	0.0
Compound_2992	CCCC1CCC(CC1)c1ccc(cc1)OCC	0.66	1.0
Compound_2993	CCCCC(c1ccccc1)C#N	0.61	1.0
Compound_2994	CCCCC(COC(=O)CCc1cc(n2nc3c(n2)ccc(c3)Cl)c(c(c1)C(C)(C)C)O)CC	0.42	0.0
Compound_2995	CCCCC1(CC)COP(OC1)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	0.58	1.0
Compound_2996	CCCCC1(CO1)c1ccc(cc1Cl)Cl	0.75	1.0
Compound_2997	CCCCc1cnc(nc1)c1ccc(cc1)C1CCC(CC1)CCC	0.55	1.0
Compound_2998	CCCCC1COC(OC1)C1CCC(CC1)c1cc(F)c(c(c1)F)F	0.73	1.0
Compound_2999	CCCCCCCCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.31	0.0
Compound_3000	CCCCCCCCOC(=O)CCc1cc(n2nc3c(n2)ccc(c3)Cl)c(c(c1)C(C)(C)C)O	0.42	0.0
Compound_3001	CCCCCCCCSc1nc(SCCCCCCCC)nc(n1)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.32	0.0
Compound_3002	CCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.69	1.0
Compound_3003	CCCCOc1ccc(c(c1F)F)C1CCC(CC1)CCC	0.71	1.0
Compound_3004	CCCCOc1ccc(c(c1F)F)c1ccc(cc1)C1CCC(CC1)CC	0.72	1.0
Compound_3005	CCCCOc1ccc(cc1)C1CCC(CC1)CCC	0.63	1.0
Compound_3006	CCCOc1ccc(cc1)C#Cc1ccc(cc1)C1CCC(CC1)CCC	0.7	1.0
Compound_3007	CCOC(=O)C1(CC)OC1(C)c1ccccc1	0.57	1.0
Compound_3008	CCOC(=O)C(Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C)CC	0.44	0.0
Compound_3009	CCOC(=O)C1OC1(C)c1ccccc1	0.52	1.0
Compound_3010	CCOC(C(Cc1ccc(cc1)C(C)C)C)OCC	0.75	1.0
Compound_3011	CCOc1cc(ccc1C)C(C)C	0.78	1.0
Compound_3012	CCOc1ccc(c(c1F)F)c1ccc(cc1)C1CCC(CC1)CC	0.73	1.0
Compound_3013	CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCC	0.64	1.0
Compound_3014	CCOP(Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C	0.88	1.0
Compound_3015	CN(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.17	0.0
Compound_3016	OCC1(CCN(C1)C)c1ccccc1	0.09	0.0
Compound_3017	CNC(=O)Oc1ccccc1C(C)C	0.92	1.0
Compound_3018	COC(=O)c1ccccc1N=CC(Cc1ccc(cc1)C(C)C)C	0.47	0.0
Compound_3019	COC(=O)c1ccccc1NC(CC(c1ccccc1)C)O	0.29	0.0
Compound_3020	COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.6	1.0
Compound_3021	COC(=O)CCc1cc(n2nc3c(n2)ccc(c3)Cl)c(c(c1)C(C)(C)C)O	0.52	1.0
Compound_3022	COC(=O)CCc1cc(c(c(c1)n1nc2c(n1)cccc2)O)C(C)(C)C	0.52	1.0
Compound_3023	COC(=O)CCc1cc(C)c(c(c1)C(C)(C)C)O	0.6	1.0
Compound_3024	COc1ccc(cc1C(C)C)C	0.77	1.0
Compound_3025	COc1cc(ccc1C)C(C)C	0.77	1.0
Compound_3026	COc1cc(C)ccc1C(C)C	0.77	1.0
Compound_3027	CC=CC1CCC(CC1)C=CC1CCC(CC1)c1ccc(cc1)OC	0.45	0.0
Compound_3028	COc1ccc(cc1)C1CCC(CC1)C=CC1CCC(CC1)C=C	0.63	1.0
Compound_3029	COc1ccc(c(c1)C(C)(C)C)O	0.94	1.0
Compound_3030	COc1ccc2c(c1)C(C)(C)C(N2)C	0.69	1.0
Compound_3031	COCC1CCC(CC1)c1ccc(cc1)C#N	0.73	1.0
Compound_3032	COCCCC1CCC(CC1)c1ccc(c(c1)F)C#N	0.66	1.0
Compound_3033	CN(c1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2	0.42	0.0
Compound_3034	CN(c1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2	0.42	0.0
Compound_3035	O=C1OC(=O)c2c1cc(cc2)C(C(F)(F)F)(C(F)(F)F)c1ccc2c(c1)C(=O)OC2=O	0.65	1.0
Compound_3036	OC(=O)C1CCC(CC1)c1ccc(cc1)Cl	0.7	1.0
Compound_3037	OC(=O)c1cc(ccc1C(=O)O)C(C(F)(F)F)(C(F)(F)F)c1ccc(c(c1)C(=O)O)C(=O)O	0.7	1.0
Compound_3038	OC(=O)C1CCCc2c1cccc2	0.67	1.0
Compound_3039	OC(=O)C(c1ccccc1)CC(=O)O	0.46	0.0
Compound_3040	FC(CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)(F)F	0.45	0.0
Compound_3041	Oc1ccccc1C1CCCCC1	0.84	1.0
Compound_3042	Oc1ccc(cc1)C1COc2c(C1)ccc(c2)O	0.98	1.0
Compound_3043	Oc1ccc(cc1)C1CCCCC1	0.95	1.0
Compound_3044	Brc1ccc(cc1)c1ccc(cc1)C1CC(O)c2c(C1)cccc2	0.76	1.0
Compound_3045	OC1CC(Cc2c1cccc2)c1ccc(cc1)c1ccccc1	0.76	1.0
Compound_3046	OC1CCC(CC1)(c1ccccc1)c1ccccc1	0.77	1.0
Compound_3047	C[N+]1=C(C)C(c2c1cccc2)(C)C	0.33	0.0
Compound_3048	OS(=O)(=O)NC1CCCCC1	0.29	0.0
Compound_3049	OS(=O)(=O)NC1CCCCC1	0.29	0.0
Compound_3050	OS(=O)(=O)NC1CCCCC1	0.29	0.0
Compound_3051	NC1CCCCC1	0.33	0.0
Compound_3052	NC1CCCCC1	0.33	0.0
Compound_3053	NC1CCCCC1	0.33	0.0
Compound_3054	NC1CCCCC1	0.33	0.0
Compound_3055	NC1CCCCC1	0.33	0.0
Compound_3056	NC1CC(C)(CNCCC(=O)O)CC(C1)(C)C	0.11	0.0
Compound_3057	C1CCC(CC1)NC1CCCCC1	0.34	0.0
Compound_3058	C1CCC(CC1)NC1CCCCC1	0.34	0.0
Compound_3059	CC1CC(N)CC(C1)(C)C	0.14	0.0
Compound_3060	CC1CC(N)CC(C1)(C)C	0.14	0.0
Compound_3061	CC1CC(N)CC(C1)(C)C	0.14	0.0
Compound_3062	C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1	0.46	0.0
Compound_3063	O=C(NC1CC(C)(Cn2c(=O)n(CC3(C)CC(NC(=O)ON=C(C)C)CC(C3)(C)C)c(=O)n(c2=O)CC2(C)CC(NC(=O)ON=C(C)C)CC(C2)(C)C)CC(C1)(C)C)ON=C(C)C	0.15	0.0
Compound_3064	O=C(N1CCCCCC1=O)NC1CC(C)(C)CC(C1)(C)Cn1c(=O)n(CC2(C)CC(NC(=O)N3CCCCCC3=O)CC(C2)(C)C)c(=O)n(c1=O)CC1(C)CC(NC(=O)N2CCCCCC2=O)CC(C1)(C)C	0.06	0.0
Compound_3065	O=C(N1CCCCCC1=O)NCC1(C)CC(NC(=O)N2CCCCCC2=O)CC(C1)(C)C	0.12	0.0
Compound_3066	NCC1(C)CC(N)CC(C1)(C)C	0.25	0.0
Compound_3067	NCC1(C)CC(N)CC(C1)(C)C	0.25	0.0
Compound_3068	CCC(=NOC(=O)NCC1(C)CC(NC(=O)ON=C(CC)C)CC(C1)(C)C)C	0.21	0.0
Compound_3069	CCNC1CCCCC1	0.27	0.0
Compound_3070	Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N	0.1	0.0
Compound_3071	CN(C(=O)NCC1(C)CC(NC(=O)N(C)C)CC(C1)(C)C)C	0.2	0.0
Compound_3072	CN(C1CCCCC1)C	0.3	0.0
Compound_3073	CN(C1CCCCC1)C	0.3	0.0
Compound_3074	CN(C1CCCCC1)C1CCCCC1	0.32	0.0
Compound_3075	CNC1CCCCC1	0.32	0.0
Compound_3076	NC1CCC(CC1)N	0.41	0.0
Compound_3077	NC1CCC(CC1)N	0.41	0.0
Compound_3078	NC1CCC(CC1)N	0.41	0.0
Compound_3079	NC1CCC(CC1)O	0.27	0.0
Compound_3080	O=C(c1ccc(cc1)C(=O)N)N(C1CCCCC1)C1CCCCC1	0.32	0.0
Compound_3081	C#CC1(N)CCCCC1	0.23	0.0
Compound_3082	NC1(N)CCCCC1	0.42	0.0
Compound_3083	NC1CCCC(C1)N	0.41	0.0
Compound_3084	NC1CCCCC1N	0.33	0.0
Compound_3085	NCCCNC1CCCCC1	0.28	0.0
Compound_3086	O=C(NC1CCCCC1)NC1CCCCC1	0.75	1.0
Compound_3087	Oc1ccccc1c1ccccc1	0.85	1.0
Compound_3088	Oc1ccccc1c1ccccc1	0.85	1.0
Compound_3089	Oc1ccccc1c1ccccc1	0.85	1.0
Compound_3090	Oc1ccccc1c1ccccc1	0.85	1.0
Compound_3091	COc1cc2c3c4c1c1c(OC)cc5c6c1c(c4ccc3c(c1c2cccc1)OS(=O)(=O)O)ccc6c(c1c5cccc1)OS(=O)(=O)O	0.54	1.0
Compound_3092	c1ccc(cc1)c1ccccc1OCC1CO1	0.76	1.0
Compound_3093	OPOc1cccc(c1c1ccc(cc1C(C)(C)C)C(C)(C)C)c1ccc(cc1C(C)(C)C)C(C)(C)C	0.91	1.0
Compound_3094	Oc1c(cc(cc1C(C)(C)C)CP1(=O)Oc2ccccc2c2c1cccc2)C(C)(C)C	0.73	1.0
Compound_3095	Cc1ccc2c(c1)c1c3ccccc3cc3c1c(O2)ccc3C	0.93	1.0
Compound_3096	COc1cc2c3ccccc3C(=O)c3c2c2c1c1c(OC)cc4c5c1c(c2cc3)ccc5C(=O)c1c4cccc1	0.62	1.0
Compound_3097	COc1cc2c3ccccc3C(=O)c3c2c2c1c1ccc4c5c1c(c2cc3)c(OC)cc5c1c(C4=O)cccc1	0.62	1.0
Compound_3098	COc1cc(C)cc(c1O)c1cc(C)cc(c1O)OC	0.81	1.0
Compound_3099	COc1ccccc1c1ccccc1	0.75	1.0
Compound_3100	Nc1ccc(cc1)Oc1ccc(c(c1)c1ccccc1)Oc1ccc(cc1)N	0.88	1.0
Compound_3101	c1ccc(cc1)c1ccccc1Oc1ccccc1c1ccccc1	0.83	1.0
Compound_3102	O=C1c2ccccc2c2c3c1ccc1c3c3c(c2)OCCOc2c3c3c1ccc1c3c(c2)c2c(C1=O)cccc2	0.71	1.0
Compound_3103	O=P(Oc1ccccc1c1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.9	1.0
Compound_3104	O=P1(Cc2ccccc2)Oc2ccccc2c2c1cccc2	0.85	1.0
Compound_3105	O=P1Oc2ccccc2c2c1cccc2	0.86	1.0
Compound_3106	Oc1ccc(cc1c1ccccc1)C(=O)c1ccccc1C(=O)O	0.74	1.0
Compound_3107	C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O	0.95	1.0
Compound_3108	Oc1ccc(c(c1)P1(=O)Oc2ccccc2c2c1cccc2)O	0.77	1.0
Compound_3109	C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O	0.94	1.0
Compound_3110	OCCOC(=O)C(CP1(=O)Oc2ccccc2c2c1cccc2)CC(=O)OCCO	0.41	0.0
Compound_3111	Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)O)c1c2cc(Br)c(=O)c(c2oc2c1cc(Br)c(c2Br)O)Br	0.7	1.0
Compound_3112	Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O	0.98	1.0
Compound_3113	CCOC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2c1cc(Br)c(=O)c2Br)Br)O	0.6	1.0
Compound_3114	OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2c1cc(Br)c(=O)c2Br)Br)O	0.7	1.0
Compound_3115	OC(=O)c1ccccc1c1c2cc(I)c(c(c2oc2c1cc(I)c(=O)c2I)I)O	0.7	1.0
Compound_3116	CCN(c1ccc2c(c1)oc(=O)c(c2S(=O)(=O)O)C1N=c2c(=N1)cccc2)CC	0.22	0.0
Compound_3117	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)S(=O)(=O)O)CC	0.34	0.0
Compound_3118	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)S(=O)(=O)O)CC	0.34	0.0
Compound_3119	Oc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)O)O	0.52	1.0
Compound_3120	CC(=CCOc1ccc2c(c1)oc(=O)cc2C)CCC=C(C)C	0.54	1.0
Compound_3121	Nc1ccc2c(c1)oc(=O)cc2C	0.36	0.0
Compound_3122	OC(=O)C1OC(Oc2ccc3c(c2)oc(=O)cc3C)C(C(C1O)O)O	0.62	1.0
Compound_3123	OCC1OC(Oc2ccc3c(c2)oc(=O)cc3C)C(C(C1O)O)O	0.61	1.0
Compound_3124	Cc1ccc2c(c1)ccc(=O)o2	0.54	1.0
Compound_3125	CCCCC(c1cc(=O)c2c(o1)cc(cc2)OC)CC	0.49	0.0
Compound_3126	CCN(c1ccc2c(c1)oc(=O)cc2C)CC	0.31	0.0
Compound_3127	CCN(c1ccc2c(c1)oc(=O)cc2C)CC	0.31	0.0
Compound_3128	CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)c1cc2ccc(cc2oc1=O)N(CC)CC)CC	0.16	0.0
Compound_3129	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)S(=O)(=O)N)CC	0.19	0.0
Compound_3130	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)Cl)CC	0.16	0.0
Compound_3131	CCN(c1ccc2c(c1)oc(=N)c(c2)c1nc2c([nH]1)cccc2)CC	0.07	0.0
Compound_3132	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c([nH]1)cccc2)CC	0.1	0.0
Compound_3133	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c([nH]1)cccc2)CC	0.1	0.0
Compound_3134	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nnc(s1)c1ccccc1)CC	0.17	0.0
Compound_3135	CCN(c1ccc2c(c1)oc1c(c2)c2nc3c(n2c(=N)c1C#N)cccc3)CC	0.12	0.0
Compound_3136	CCN(c1ccc2c(c1)oc1c(c2)c2nc3c(n2c(=O)c1C#N)cccc3)CC	0.07	0.0
Compound_3137	CCN(c1ccc2c(c1)[o+]c1c(c2c2ccc(cc2C(=O)[O-])C(=O)O)ccc(c1)N(CC)CC)CC	0.26	0.0
Compound_3138	CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)[O-])ccc(c1)N(CC)CC)CC	0.28	0.0
Compound_3139	CCN(c1ccc2c(c1)oc(=O)c(c2C#N)c1nc2c(s1)cccc2)CC	0.17	0.0
Compound_3140	CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)c1cccs1)CC	0.22	0.0
Compound_3141	CCN(c1nc(nc(n1)Cl)Nc1ccc2c(c1)oc(=O)c(c2)c1ccccc1)CC	0.16	0.0
Compound_3142	CCNc1cc2[o+]c3cc(NCC)c(cc3c(c2cc1C)c1ccccc1C(=O)[O-])C	0.24	0.0
Compound_3143	CCNc1cc2oc(=O)cc(c2cc1C)C	0.3	0.0
Compound_3144	CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC	0.78	1.0
Compound_3145	O=c1cc(C)c2c(o1)cc(cc2)N(C)C	0.26	0.0
Compound_3146	COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O	0.99	1.0
Compound_3147	COc1ccc2c(c1)oc(=O)c(c2)C(=O)c1cc2ccc(cc2oc1=O)OC	0.55	1.0
Compound_3148	COc1ccc2c(c1)c1ccc3c4c1c(o2)ccc4c(=O)n(c3=O)CC(O)C	0.2	0.0
Compound_3149	CCc1nn(nc1C)c1ccc2c(c1)oc(=O)c(c2)n1nc[n+](c1)C	0.21	0.0
Compound_3150	OCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4oc1c3cc(cc1S(=O)(=O)O)S(=O)(=O)O	0.3	0.0
Compound_3151	CCN(c1ccc2c(c1)oc1c(c2c2ccccc2C(=O)OC)ccc(=[N+](CC)CC)c1)CC	0.14	0.0
Compound_3152	O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1	0.23	0.0
Compound_3153	O=c1c2ccccc2oc2c1cccc2	0.89	1.0
Compound_3154	O=c1ccc2c(o1)cccc2	0.62	1.0
Compound_3155	O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2	0.31	0.0
Compound_3156	OC(=O)c1cc2ccccc2oc1=O	0.49	0.0
Compound_3157	OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(C(C1O)O)O	0.62	1.0
Compound_3158	O=c1ccc2c(o1)cc(c(c2)O)O	0.62	1.0
Compound_3159	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O	1.0	1.0
Compound_3160	Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O	1.0	1.0
Compound_3161	Oc1ccc2c(c1)oc(=O)cc2	0.47	0.0
Compound_3162	Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O	0.75	1.0
Compound_3163	CCN(c1ccc2c(c1)oc(=O)cc2C)CC	0.3	0.0
Compound_3164	CC=C(Cl)C	0.89	1.0
Compound_3165	OC(=O)CC(CC(C)(C)C)(C)C	0.49	0.0
Compound_3166	CC=CC(C(C(=O)O)(C=CC)C=CC)(C(=O)O)C=CC	0.4	0.0
Compound_3167	CC(=O)C1C(C)C=CCC1(C)C	0.73	1.0
Compound_3168	CC(=O)C1C(C)C=CCC1(C)C	0.73	1.0
Compound_3169	CC(=O)C1C(C)C=CCC1(C)C	0.73	1.0
Compound_3170	CC=CC(=O)C1=C(C)CCCC1(C)C	0.57	1.0
Compound_3171	CC=CC(=O)C1=C(C)CCCC1(C)C	0.57	1.0
Compound_3172	CC=CC(=O)C1=C(C)CCCC1(C)C	0.57	1.0
Compound_3173	CC=CC(=O)C1C(=CCCC1(C)C)C	0.68	1.0
Compound_3174	CC=CC(=O)C1C(=CCCC1(C)C)C	0.68	1.0
Compound_3175	CC=CC(=O)C1C(=CCCC1(C)C)C	0.68	1.0
Compound_3176	CC=CC(=O)C1C(C)C=CCC1(C)C	0.73	1.0
Compound_3177	CC=CC(=O)C1C(C)C=CCC1(C)C	0.73	1.0
Compound_3178	CC1=C(C(=O)C)C(C(C1)(C)C)(C)C	0.72	1.0
Compound_3179	CC(C1=CC(=O)C(=CC1=O)C(C)(C)C)(C)C	0.56	1.0
Compound_3180	O=C1C=CC(=O)C(=C1)C(C)(C)C	0.56	1.0
Compound_3181	CC(C1=CC(=O)C(=CC1=O)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.57	1.0
Compound_3182	ClC(=O)CC(C)(C)C	0.85	1.0
Compound_3183	CC(=CC1C(C1(C)C)C(=O)Cl)C	0.76	1.0
Compound_3184	CC(=CC1C(C1(C)C)C(=O)Cl)C	0.76	1.0
Compound_3185	CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C	0.22	0.0
Compound_3186	ClC(=CC1C(C1(C)C)C(=O)O)C(F)(F)F	0.83	1.0
Compound_3187	ClC(=CC1C(C1(C)C)C(=O)O)C(F)(F)F	0.83	1.0
Compound_3188	BrC(=CC1C(C1(C)C)C(=O)O)Br	0.84	1.0
Compound_3189	OC(=O)C1CCC(C1(C)C)(C)C(=O)O	0.41	0.0
Compound_3190	ClC(=O)C1C(C1(C)C)(C)C	0.81	1.0
Compound_3191	BrC(=CC1C(C1(C)C)C(=O)Cl)Br	0.81	1.0
Compound_3192	ClC(=CC1C(C1(C)C)C(=O)Cl)C(F)(F)F	0.72	1.0
Compound_3193	O=CC1=C(C)CCCC1(C)C	0.56	1.0
Compound_3194	CC1=CC(=O)C2CC1C2(C)C	0.8	1.0
Compound_3195	CC1=CC(=O)CC(C1)(C)C	0.52	1.0
Compound_3196	O=C1C=C(C)C(=O)C(C1)(C)C	0.52	1.0
Compound_3197	O=C1CC(=CC(C1)(C)C)C	0.52	1.0
Compound_3198	O=C1CC(C(C1=O)C)(C)C	0.48	0.0
Compound_3199	CCC1(C)C(C)C(=CC(=O)C1C)C	0.74	1.0
Compound_3200	CCC1(C)CC(=O)C(=C(C1C)C)C	0.72	1.0
Compound_3201	CCC1=C(C)C(=O)CC(C1(CC)CC)(C)C	0.48	0.0
Compound_3202	COC(=O)C1C(=CCCC1(C)C)C	0.47	0.0
Compound_3203	COC(=O)CC(C=C)(C)C	0.77	1.0
Compound_3204	CC1=NN(C(=O)C1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1	0.19	0.0
Compound_3205	CC1=NN(C(=O)C1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1	0.19	0.0
Compound_3206	CC1=NN(C(=O)C1C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1	0.24	0.0
Compound_3207	CC1=NN(C(=O)C1C)c1ccc(cc1)S(=O)(=O)O	0.36	0.0
Compound_3208	O=C(C1C(=O)N(C)C(=O)N(C1=O)C)Nc1ccc(c(c1)Cl)Cl	0.2	0.0
Compound_3209	OC1CN2CCC1CC2	0.17	0.0
Compound_3210	OC1CN2CCC1CC2	0.17	0.0
Compound_3211	CCCC(C(CO)CC)O	0.66	1.0
Compound_3212	CCCC(C(CO)CC)O	0.66	1.0
Compound_3213	CC(=O)OC(C1CCC(=CC1)C)(C)C	0.52	1.0
Compound_3214	CC(=O)OC(C1CCC(=CC1)C)(C)C	0.52	1.0
Compound_3215	CC(C(O)(C)C)(O)C	0.57	1.0
Compound_3216	CC(=CCCC(C1CCC(=CC1)C)(O)C)C	0.31	0.0
Compound_3217	CC(=CCCC(C1CCC(=CC1)C)(O)C)C	0.31	0.0
Compound_3218	CC(=CCCC(C1CCC(=CC1)C)(O)C)C	0.31	0.0
Compound_3219	CC(C(C(C)C)(O)C)C	0.58	1.0
Compound_3220	OCC(C(C(C)C)O)(C)C	0.62	1.0
Compound_3221	OC(C(C)C)C(C)C	0.44	0.0
Compound_3222	CC(C1OCOCC1(C)C)C	0.6	1.0
Compound_3223	CC(CC(C(C(=O)C)C)O)CCC=C(C)C	0.47	0.0
Compound_3224	OCCCCC(C(O)(C)C)C	0.47	0.0
Compound_3225	CC(C(=C)C(C(C)(C)C)C)C(O)C	0.62	1.0
Compound_3226	CC(C(C(C(C)(C)C)C)C)C(O)C	0.58	1.0
Compound_3227	CC(C(CC1CC=C(C1(C)C)C)C)O	0.54	1.0
Compound_3228	OCC(C(O)C)CO	0.69	1.0
Compound_3229	O=COC(C1CC=C(CC1(C)C)C)C	0.52	1.0
Compound_3230	C[Si]1(C)OC(C(O1)(C)C)(C)C	0.55	1.0
Compound_3231	CC1=CCC(CC1)C(O)(C)C	0.44	0.0
Compound_3232	CC1=CCC(CC1)C(O)(C)C	0.44	0.0
Compound_3233	CC1=CCC(CC1)C(O)(C)C	0.44	0.0
Compound_3234	O=COC(C1CCC(=CC1)C)(C)C	0.52	1.0
Compound_3235	CC(=C)C1CCC(C1C)(C)O	0.39	0.0
Compound_3236	CC1OC(=O)C(=O)C1C	0.23	0.0
Compound_3237	CCC(C(C)C)(CC)O	0.61	1.0
Compound_3238	CCC(C(C)C)O	0.55	1.0
Compound_3239	CCC(C(CO)C)O	0.6	1.0
Compound_3240	CCC1OC(=O)C(=O)C1C	0.36	0.0
Compound_3241	CCCCC(C(C#C)O)CC	0.72	1.0
Compound_3242	CCOC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F	0.76	1.0
Compound_3243	COC(C1CCC(=CC1)C)(C)C	0.46	0.0
Compound_3244	COC(CCCC(C(O)C)C)(C)C	0.55	1.0
Compound_3245	OC(=O)CC(C(C(=O)O)O)C(=O)O	0.12	0.0
Compound_3246	OCC1(CO)COCC(C1O)(CO)CO	0.61	1.0
Compound_3247	OCC(C(C(=O)NCCC(=O)O)O)(C)C	0.03	0.0
Compound_3248	OCC(C(C(=O)NCCC(=O)O)O)(C)C	0.03	0.0
Compound_3249	OCC(C(C(=O)NCCC(=O)O)O)(C)C	0.03	0.0
Compound_3250	O=CC(NC(=O)C(NC(=O)C(C1CCNC(=N)N1)NC(NC(C(=O)O)Cc1ccccc1)O)CC(C)C)Cc1ccccc1	0.08	0.0
Compound_3251	CC=CCC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C	0.63	1.0
Compound_3252	CCC(C(C(=NCC(=NC(C(=O)N1CCCC1C(=NC)O)C(C)C)O)O)N=C(C(N=C(O)C)CC(C)C)O)C	0.15	0.0
Compound_3253	CC(=O)OCCCNC(=O)C(C(COC(=O)C)(C)C)OC(=O)C	0.11	0.0
Compound_3254	CC(CC(Nc1nc2nc(n1)N(CCCCCCN(C1CC(C)(C)NC(C1)(C)C)c1nc(N(CCCCCCN2C2CC(C)(C)NC(C2)(C)C)C2CC(C)(C)NC(C2)(C)C)nc(n1)NC(CC(C)(C)C)(C)C)C1CC(C)(C)NC(C1)(C)C)(C)C)(C)C	0.05	0.0
Compound_3255	OCC(C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(CO)(C)C)O)O)(C)C	0.07	0.0
Compound_3256	OCC(C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(CO)(C)C)O)O)(C)C	0.07	0.0
Compound_3257	OCCCNC(=O)C(C(CO)(C)C)O	0.06	0.0
Compound_3258	OCCCNC(=O)C(C(CO)(C)C)O	0.06	0.0
Compound_3259	SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.06	0.0
Compound_3260	CC(CC(C(CC(=O)NC(C(=O)NC(C(CC(=O)O)O)CC(C)C)C)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)C	0.21	0.0
Compound_3261	O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C	0.13	0.0
Compound_3262	N=NC(CCN1C(=O)C(N(C1=O)CCC(N=N)O)C(C)C)O	0.18	0.0
Compound_3263	O=CN(C1CC(C)(C)NC(C1)(C)C)CCCCCCN(C1CC(C)(C)NC(C1)(C)C)C=O	0.12	0.0
Compound_3264	CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C2)(C)C)CC(N1)(C)C	0.16	0.0
Compound_3265	N#CCCNCC1(C)CC(NCCC#N)CC(C1)(C)C	0.21	0.0
Compound_3266	O=C1C(CC(C1=O)(C)O)N1CCCCC1	0.19	0.0
Compound_3267	CCC(C(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)N1C(=O)OC(C1=O)(C)C)Cl)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.29	0.0
Compound_3268	CCCCC(CN1C(=O)C2C(C1=O)C1(CCC2(C)C=C1)C(C)C)CC	0.31	0.0
Compound_3269	CCCCC(CN1C(=O)C2C(C1=O)C1CC2C=C1)CC	0.34	0.0
Compound_3270	CCCCCCCCCC=CCC1CC(=O)N(C1=O)C1CC(C)(C)NC(C1)(C)C	0.26	0.0
Compound_3271	CCCCCCCCCCC=CC1CC(=O)N(C1=O)CCCCCC(=O)O	0.18	0.0
Compound_3272	CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)N(C(C1)(C)C)C(=O)C	0.19	0.0
Compound_3273	CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)N(C(C1)(C)C)C	0.28	0.0
Compound_3274	CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)NC(C1)(C)C	0.23	0.0
Compound_3275	CCCCCCCCCCCCCCOC(=O)CCNC1CC(C)(C)NC(C1)(C)C	0.14	0.0
Compound_3276	CCCCCCCCCCCCOC(=O)CCNC1CC(C)(C)NC(C1)(C)C	0.14	0.0
Compound_3277	CCCCNC1CC(C)(C)NC(C1)(C)C	0.15	0.0
Compound_3278	CCOCCCNC(=O)C(C(CO)(C)C)O	0.17	0.0
Compound_3279	CCOCCCNC(=O)C(C(CO)(C)C)O	0.17	0.0
Compound_3280	CCCCCCCCCCCCCCCCCC[N+](CC(COCC(C(C(=O)NCCCO)O)(C)C)O)(C)C	0.16	0.0
Compound_3281	FC(S(=O)(=O)ON1C(=O)C2C(C1=O)C1CC2C=C1)(F)F	0.57	1.0
Compound_3282	OCC1CC(NC2C=C(CO)C(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O	0.1	0.0
Compound_3283	ON1C(=O)C2C(C1=O)C1CC2C=C1	0.5	0.0
Compound_3284	O1COC2C(C1)Cc1c2cccc1	0.8	1.0
Compound_3285	OCC(Cc1ccccc1)(C)C	0.68	1.0
Compound_3286	CC(Cc1ccccc1)(O)C	0.71	1.0
Compound_3287	CC(Cc1ccccc1)C	0.92	1.0
Compound_3288	CC(Cc1ccccc1O)C	0.87	1.0
Compound_3289	CC(Cc1cc2ccccc2c(c1CC(C)C)S(=O)(=O)O)C	0.59	1.0
Compound_3290	CC(C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)Cc1cc(C)cc(c1O)n1nc2c(n1)cccc2	0.46	0.0
Compound_3291	Oc1cccc2c1OC(C2)(C)C	0.7	1.0
Compound_3292	OCC(Cc1cccc(c1)C)(C)C	0.59	1.0
Compound_3293	CNC(=O)Oc1cccc2c1OC(C2)(C)C	0.84	1.0
Compound_3294	COCC(Cc1ccccc1)C	0.71	1.0
Compound_3295	CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C	0.02	0.0
Compound_3296	OCCN1c2ccc(cc2C(CC1(C)C)C)C1=[N+](CC)c2c3c1cccc3ccc2	0.08	0.0
Compound_3297	CN(C1C(=O)C(C(=O)N)C(=O)C2(C1C(O)C1C(C2=O)C(=O)c2c(C1(C)O)cccc2O)O)C	0.54	1.0
Compound_3298	CN(C1C(=O)C(C(=O)N)C(=O)C2(C1CC1C(C2=O)C(=O)c2c(C1(C)O)cccc2O)O)C	0.28	0.0
Compound_3299	O=C1OC2CC3C1(CCCC3(C)C)c1c2cc(c(c1O)O)C(C)C	0.37	0.0
Compound_3300	Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C	0.09	0.0
Compound_3301	CC(=O)C1C(=O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C	0.18	0.0
Compound_3302	OC(=O)C1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C	0.56	1.0
Compound_3303	NCC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C	0.18	0.0
Compound_3304	OC1C(=CC(C(C1Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1C)Br)O)C	0.71	1.0
Compound_3305	CC(=O)OC1C=CC(C)(O)C(=O)C(CC=CC2C31C(=O)NC(C3C(C)C(=C)C2O)Cc1ccccc1)C	0.19	0.0
Compound_3306	CC1CCCC(O)C=CC(=O)OC23C(C=CC1)C(O)C(=C)C(C3C(NC2=O)Cc1ccccc1)C	0.12	0.0
Compound_3307	COc1cc2c(cc1OC)N1C3C42CCN2C4CC4C3C(CC1=O)OCC=C4C2	0.21	0.0
Compound_3308	COc1cc2c(cc1OC)N1C3C42CCN2C4CC4C3C(CC1=O)OCC=C4C2	0.21	0.0
Compound_3309	O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CCN(C1C4)C3	0.17	0.0
Compound_3310	COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C	0.19	0.0
Compound_3311	CC(CC(c1ccc(cc1)OCCOCCOCCS(=O)(=O)O)(C)C)(C)C	0.51	1.0
Compound_3312	CC(CC(c1ccc(cc1)OCCOCCS(=O)(=O)O)(C)C)(C)C	0.51	1.0
Compound_3313	O=C1CC(C)(C(=O)c2c1cccc2)S(=O)(=O)O	0.56	1.0
Compound_3314	OC1CC2C(C1)(C)CCC1C2CCc2c1ccc(c2)O	0.27	0.0
Compound_3315	O=Cc1cc2c(cc1C)C(C)(C)C(C(C2(C)C)C)C	0.96	1.0
Compound_3316	CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C	0.86	1.0
Compound_3317	CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O	0.61	1.0
Compound_3318	CC(=O)OC(CCc1ccccc1)(C)C	0.69	1.0
Compound_3319	CC(=O)Oc1ccc(cc1C1C(=O)Oc2c1cc(cc2)C(CC(C)(C)C)(C)C)C(CC(C)(C)C)(C)C	0.49	0.0
Compound_3320	OC(c1ccc(cc1)Cl)C(C1CC1)C	0.76	1.0
Compound_3321	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.29	0.0
Compound_3322	CC(C1(CCc2ccc(cc2)Cl)OC1)(C)C	0.56	1.0
Compound_3323	CC(c1ccc2c(c1)C(C)(C)CC2)(C)C	0.8	1.0
Compound_3324	Oc1ccccc1C(CC(C)(C)C)(C)C	0.96	1.0
Compound_3325	Oc1c(cc(cc1n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C)Cc1cc(cc(c1O)n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C	0.76	1.0
Compound_3326	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(CC(C)(C)C)(C)C)n1nc2c(n1)cccc2	0.93	1.0
Compound_3327	Oc1ccc(cc1n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C	0.93	1.0
Compound_3328	CC(c1cc(O)c(cc1O)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.88	1.0
Compound_3329	CC(c1ccc(cc1)Nc1ccc(cc1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.58	1.0
Compound_3330	CC(c1ccc(cc1)O)(CC(C)(C)C)C	0.99	1.0
Compound_3331	CC(CC(c1ccc2c(c1)nc(o2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)ccc(c2)C(CC(C)(C)C)(C)C)(C)C)(C)C	0.56	1.0
Compound_3332	CC(c1ccccc1)(CC(C)(C)C)C	0.94	1.0
Compound_3333	Oc1ccc(cc1)C(=C)CC(c1ccc(cc1)O)(C)C	0.94	1.0
Compound_3334	C=C(c1ccccc1)CC(c1ccccc1)(C)C	0.93	1.0
Compound_3335	CC(CCc1ccccc1)(O)C	0.69	1.0
Compound_3336	CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C	0.97	1.0
Compound_3337	CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C	0.97	1.0
Compound_3338	Fc1ccc(cc1)C(=O)C(C(C(=O)C(C)C)C(=Nc1ccccc1)O)c1ccccc1	0.55	1.0
Compound_3339	O=C(C(C)C)Cc1ccc(cc1)C	0.83	1.0
Compound_3340	CC(C(=O)OC(CCc1ccccc1)(C)C)C	0.77	1.0
Compound_3341	OC(C(C)C)Cc1ccccc1	0.65	1.0
Compound_3342	O=C(c1ccccc1)CCN(CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C)CCC(=O)c1ccccc1	0.11	0.0
Compound_3343	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C	0.02	0.0
Compound_3344	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C	0.02	0.0
Compound_3345	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)c1cccnc1)C)CCCC(CCCC(C)C)C	0.35	0.0
Compound_3346	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)c1cccnc1)C)CCCC(CCCC(C)C)C	0.35	0.0
Compound_3347	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCCC(CCCC(C)C)C	0.28	0.0
Compound_3348	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C	0.4	0.0
Compound_3349	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C	0.4	0.0
Compound_3350	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C	0.4	0.0
Compound_3351	CC(CCCC1(C)CCc2c(O1)c(C)cc(c2)O)CCCC(CCCC(C)C)C	0.09	0.0
Compound_3352	CC(CCCC(CCCC(C)C)C)CCCC1(C)CCc2c(O1)c(C)cc(c2C)O	0.02	0.0
Compound_3353	CC(CCCC(CCCC(C)C)C)CCCC1(C)CCc2c(O1)c(C)cc(c2C)O	0.02	0.0
Compound_3354	CC(CCCC(CCCC(C)C)C)CCCC1(C)CCc2c(O1)c(C)c(c(c2)O)C	0.02	0.0
Compound_3355	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)c1cccnc1)C)CCCC(CCCC(C)C)C	0.35	0.0
Compound_3356	CC(CCCC(CCCC(C)C)C)CCCC1(C)CCc2c(O1)c(C)c(c(c2)O)C	0.02	0.0
Compound_3357	CC(C(=O)c1ccc(cc1)Cl)C1CC1	0.83	1.0
Compound_3358	CC(C1(OC1)c1ccc(cc1)Cl)C1CC1	0.76	1.0
Compound_3359	CC(c1ccccc1)CC(C#N)(C)C	0.81	1.0
Compound_3360	CC(CC(C)(C)C)CC(c1cc(C)cc(c1O)C)c1cc(C)cc(c1O)C	0.78	1.0
Compound_3361	CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O	0.88	1.0
Compound_3362	O=CC(CCc1ccccc1)C	0.69	1.0
Compound_3363	N#CCC(CCc1ccccc1)C	0.52	1.0
Compound_3364	O=CCC(CCc1ccccc1)C	0.73	1.0
Compound_3365	OCCC(CCc1ccccc1)C	0.8	1.0
Compound_3366	OCC(c1ccc2c(c1)C(C)(C)C(C2(C)C)C)C	0.74	1.0
Compound_3367	OCC(CC(c1ccccc1)C)C	0.6	1.0
Compound_3368	CC1(CC(c2c1cccc2)(C)C)c1ccccc1	0.94	1.0
Compound_3369	CC1(C)CC2(c3c1cc(O)c(c3)O)CC(c1c2cc(O)c(c1)O)(C)C	0.69	1.0
Compound_3370	O=N(=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)N(=O)=O	0.86	1.0
Compound_3371	Cc1c2OC(C)(C)CCc2c(c(c1C)O)C	0.31	0.0
Compound_3372	Cc1cc(c(c(c1)C1(CCC2C1C1CCC2C1)c1cc(C)cc(c1O)C(C)(C)C)O)C1(CCC2C1C1CCC2C1)c1cc(C)cc(c1O)C(C)(C)C	0.74	1.0
Compound_3373	Cc1cc2CC(C)(C)CC(=O)c2c(c1)C	0.71	1.0
Compound_3374	Oc1cc(C)c(cc1C(CC(C)(C)C)(C)C)O	0.88	1.0
Compound_3375	O=C1OC(=O)C(C1)C1CC2C(=O)OC(=O)C2c2c1ccc(c2)C	0.49	0.0
Compound_3376	Cc1ccc2c(c1)CCC(C2)(C)C	0.76	1.0
Compound_3377	CC1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C	0.97	1.0
Compound_3378	CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C	0.88	1.0
Compound_3379	CC1CC(=O)c2c1c1c(cc2C)C(CC1(C)C)(C)C	0.76	1.0
Compound_3380	CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C	0.94	1.0
Compound_3381	N#CC(=Cc1cc2C(C)CC(N(c2cc1C)CCC(=O)Nc1ccccc1)(C)C)C#N	0.05	0.0
Compound_3382	CC1CCOC(C1)c1ccccc1	0.82	1.0
Compound_3383	CCC(OC(=O)C)(CCc1ccccc1)C	0.69	1.0
Compound_3384	CCC(CCc1ccccc1)(O)C	0.63	1.0
Compound_3385	CCC(C(=O)Nc1ccc(c(c1)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl)Cl)Oc1ccc(cc1)C(CC(C)(C)C)(C)C	0.28	0.0
Compound_3386	CCCC1CCC(CC1)C1CCC(CC1)CCc1cc(F)c(c(c1)F)F	0.87	1.0
Compound_3387	CCCC1CCC(CC1)C1CCC(CC1)CCc1ccc(cc1)C#N	0.82	1.0
Compound_3388	CCCC1CCC(CC1)C1CCC(CC1)CCc1ccc(cc1)CC	0.81	1.0
Compound_3389	CCCC1CCC(CC1)C1CCC(CC1)CCc1ccc(cc1)F	0.89	1.0
Compound_3390	CCCC1CCC(CC1)C1CCC(CC1)CCc1ccc(cc1)OC(F)(F)F	0.81	1.0
Compound_3391	CCCC1CCC(CC1)CCc1ccc(cc1)c1ccc(cc1F)CC	0.87	1.0
Compound_3392	CCCC1CCC(CC1)C1CCC(CC1)CCc1ccc(c(c1)F)F	0.87	1.0
Compound_3393	CCCC1CCC(CC1)CCc1ccc(cc1)C#Cc1ccc(cc1)CC	0.85	1.0
Compound_3394	CCCC1CCC(CC1)CCc1ccc(cc1)c1cc(F)c(c(c1)F)F	0.9	1.0
Compound_3395	CCCC1CCC(CC1)CCC1CCC(C(C1)CCc1ccccc1)C(=O)O	0.65	1.0
Compound_3396	CCCCCC1CCC(CC1)C1CCC(CC1)CCc1ccc(c(c1)F)F	0.78	1.0
Compound_3397	CCCCCC1CCC(CC1)C1CCC(CC1)CCc1ccc(cc1)F	0.81	1.0
Compound_3398	CCCCCC1CCC(CC1)C1CCC(CC1)CCc1ccc(cc1)OC(F)(F)F	0.78	1.0
Compound_3399	CCCCCC1CCC(CC1)CCc1ccc(cc1)c1ccc(cc1F)CC	0.81	1.0
Compound_3400	CCCCCC=CCC=CCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(O2)(C)CCCC(CCCC(CCCC(C)C)C)C	0.55	1.0
Compound_3401	CCCCc1ccc(cc1)C#Cc1ccc(cc1)CCC1CCC(CC1)CCC	0.74	1.0
Compound_3402	CCCCCc1ccc(cc1)CCC1CCC(CC1)C1CCC(CC1)CCC	0.66	1.0
Compound_3403	CCCCCC1CCC(CC1)CCc1ccc(cc1)OCC	0.61	1.0
Compound_3404	CCCCCCCCc1cc2OC(C)(C)CC(c2cc1O)C(C)C	0.17	0.0
Compound_3405	CCCOc1cc2c(cc1OCCC)C(CC12CC(c2c1cc(OCCC)c(c2)OCCC)(C)C)(C)C	0.54	1.0
Compound_3406	CCC1CN2CCc3c(C2CC1CC1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC	0.03	0.0
Compound_3407	CN(C1C(=O)C(C(=O)N)C(=O)C2(C1CC1C(C2=O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)C	0.44	0.0
Compound_3408	CN(C1C(=O)C(C(=O)N)C(=O)C2(C1CC1C(C2=O)C(=O)c2c(C1(C)O)cccc2O)O)C	0.28	0.0
Compound_3409	COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C	0.23	0.0
Compound_3410	COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O	0.33	0.0
Compound_3411	COc1ccc2c(c1)CCC1C2CCC2(C1CCC2NCCCCCCN1C(=O)C=CC1=O)C	0.09	0.0
Compound_3412	COc1ccc2c(c1)CCC1C2CCC2(C1CCC2NCCCCCCN1C(=O)CCC1=O)C	0.08	0.0
Compound_3413	NC1=C2C(C(=N)CC1)C(=O)c1c(C2=O)cccc1	0.26	0.0
Compound_3414	COc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C	0.05	0.0
Compound_3415	COc1cc2c(cc1OC)N1C3C42CCN2C4CC4C3C(CC1=O)OCC=C4C2	0.21	0.0
Compound_3416	O=C(C1C(=O)c2c(C1=O)cccc2)C(c1ccccc1)c1ccccc1	0.85	1.0
Compound_3417	Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O	0.77	1.0
Compound_3418	O=C1c2ccccc2C(C1(O)C1(O)C(=O)c2c(C1(O)O)cccc2)(O)O	0.56	1.0
Compound_3419	OC1=C2C(C(=O)CC1)C(=O)c1c(C2=O)cccc1	0.57	1.0
Compound_3420	OC1=CCC(=O)C2C1C(=O)c1c(C2=O)c(O)ccc1O	0.79	1.0
Compound_3421	OC(=O)CCNC(C(=O)O)CC(=O)O	0.14	0.0
Compound_3422	OC(=O)C(CC(=O)O)NC(C(=O)O)CC(=O)O	0.16	0.0
Compound_3423	NCCCCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CCCN=C(N)N)N)CC(=O)O)CO)C)CO)CO	0.11	0.0
Compound_3424	OC1CC(C)(C)NC(C1)(C)C	0.24	0.0
Compound_3425	OC1CC(C)(C)N(C(C1)(C)C)O	0.36	0.0
Compound_3426	OC1CC(C)(C)N(C(C1)(C)C)O	0.36	0.0
Compound_3427	OC1CC(C)(C)N(C(C1)(C)C)O	0.36	0.0
Compound_3428	OCCN1C(C)(C)CC(CC1(C)C)O	0.14	0.0
Compound_3429	OC1CC(C)(C)N(C(C1)(C)C)C	0.17	0.0
Compound_3430	COC1CC(C)(C)N(C(C1)(C)C)O	0.4	0.0
Compound_3431	OCC(C(C(C(CO)O)O)OC1OC(CO)C(C(C1O)O)O)O	0.24	0.0
Compound_3432	OCC(C(C(C(CO)O)O)OC1OC(CO)C(C(C1O)O)O)O	0.24	0.0
Compound_3433	NCCC1CC(CC(=O)OC(C)(C)C)OC(O1)(C)C	0.23	0.0
Compound_3434	O=C(OC(C)(C)C)CC1CC(COC(=O)C)OC(O1)(C)C	0.47	0.0
Compound_3435	CCOC1OC(CO)C(C(C1O)O)O	0.38	0.0
Compound_3436	OCC1OC(O)C(C(C1O)O)NC(=O)C	0.24	0.0
Compound_3437	NC1CC(NC(=N)C(=O)O)C(OC1OC1C(O)C(O)C(C(C1O)O)O)C	0.12	0.0
Compound_3438	OCC(C(C(C(C=O)O)O)OC1OC(CO)C(C(C1O)O)O)O	0.31	0.0
Compound_3439	OCC1OC(OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O	0.45	0.0
Compound_3440	OCC1OC(OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O	0.45	0.0
Compound_3441	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F	0.8	1.0
Compound_3442	CCCCCCCCC=CCCCCCCCC(=O)NCC(OC(=O)CC(S(=O)(=O)O)C(=O)O)C	0.16	0.0
Compound_3443	OC1OC(COP(=O)(O)O)C(C(C1O)O)O	0.37	0.0
Compound_3444	O=C(CC(S(=O)(=O)O)C(=O)OC1CCCCC1)OC1CCCCC1	0.54	1.0
Compound_3445	CC(CC(OC(=O)CC(S(=O)(=O)O)C(=O)OC(CC(C)C)C)C)C	0.6	1.0
Compound_3446	CC(CC(OCC(CS(=O)(=O)O)O)C)C	0.49	0.0
Compound_3447	CCCCC(OC(=O)CC(S(=O)(=O)O)C(=O)OC(CCCC)C)C	0.59	1.0
Compound_3448	CCCCC(COCC(COS(=O)(=O)O)OCC(CCCC)CC)CC	0.49	0.0
Compound_3449	CCCCCCC(OC(=O)CC(S(=O)(=O)O)C(=O)OC(CCCCCC)C)C	0.57	1.0
Compound_3450	COC1C(OC(=O)N)C(O)C(OC1(C)C)Oc1ccc2c(c1C)OC(=O)C(=NC(=O)c1ccc(c(c1)CC=C(C)C)O)C2O	0.12	0.0
Compound_3451	C#CCC(OC(CCS(=O)(=O)O)CC#C)CCS(=O)(=O)O	0.57	1.0
Compound_3452	C(OCC(OCCCOCC1CO1)COCCCOCC1CO1)CCOCC1CO1	0.75	1.0
Compound_3453	CC1CCOC(C1)C=C(C)C	0.58	1.0
Compound_3454	CC1CCOC(C1)C=C(C)C	0.58	1.0
Compound_3455	CC1CCOC(C1)C=C(C)C	0.58	1.0
Compound_3456	O=C1OC(=O)C2(C1(C)C1CCC2O1)C	0.58	1.0
Compound_3457	CC1OC(=O)CC(NC(=O)C(Cc2c(Br)[nH]c3c2cccc3)N(C)C(=O)C(NC(=O)C(CC(=CC(C1)C)C)C)C)c1ccc(cc1)O	0.16	0.0
Compound_3458	OC1C(O)C(OC(C1O)C(=O)O)O[Si](O)(O)C	0.36	0.0
Compound_3459	CC=C(C1CCC(O1)(C)C)C	0.61	1.0
Compound_3460	CC1=CCCC2(C)OC2CCC(=CCC1)C	0.57	1.0
Compound_3461	N#CC(=C)C(=O)OC1CCCCC1	0.64	1.0
Compound_3462	C1CCC2(OC1)CCCCO2	0.77	1.0
Compound_3463	CC(=C)C(=O)OC(C)(C)C	0.77	1.0
Compound_3464	CC(=C)C(=O)OC1CC(C)(C)NC(C1)(C)C	0.33	0.0
Compound_3465	CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C	0.49	0.0
Compound_3466	O=C(C(=C)C)OC1CCCCC1	0.72	1.0
Compound_3467	O=C1OCC(C1)OC(=O)C(=C)C	0.46	0.0
Compound_3468	C=CC1(C)CCC(O1)C(=C)C	0.63	1.0
Compound_3469	CC(=O)C=CC12OC2(C)CCCC1(C)C	0.6	1.0
Compound_3470	CC(=O)CC(=O)OC(C)(C)C	0.68	1.0
Compound_3471	OCC1OC(Oc2ccc(cc2)CCC(=O)C)C(C(C1O)O)O	0.44	0.0
Compound_3472	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCN1C(C)(C)CC(CC1(C)C)OC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.1	0.0
Compound_3473	O=C(C(Br)(C)C)OC(C)(C)C	0.78	1.0
Compound_3474	N=C1SCC(=N1)C(=NOC(C(=O)OC(C)(C)C)(C)C)C(=O)O	0.27	0.0
Compound_3475	N#CCC1CC(CC(=O)OC(C)(C)C)OC(O1)(C)C	0.44	0.0
Compound_3476	OCC1CC(CC(=O)OC(C)(C)C)OC(O1)(C)C	0.47	0.0
Compound_3477	O=C(C1CCC2(C(C1)OO2)C(=O)OC(C)(C)C)OC(C)(C)C	0.52	1.0
Compound_3478	CC(OCC1OC1)(C)C	0.66	1.0
Compound_3479	C=CC1(C)CCC(O1)C(O)(C)C	0.47	0.0
Compound_3480	C=CC1(C)CCC(O1)C(O)(C)C	0.47	0.0
Compound_3481	C=CC1(C)CCC(O1)C(O)(C)C	0.47	0.0
Compound_3482	CC(C12CCC(O2)(CC1)C)C	0.41	0.0
Compound_3483	CC(C12CCC(O2)(C(C1)OCc1ccccc1C)C)C	0.41	0.0
Compound_3484	CC(C1CCC2(CC1)CCC(=O)O2)C	0.39	0.0
Compound_3485	O=C(C(C)C)OC(C1CCC(=CC1)C)(C)C	0.52	1.0
Compound_3486	C=CC(OC(=O)C(C)C)(CCC=C(C)C)C	0.76	1.0
Compound_3487	CC(=C)CC(OC(=O)C(C)C)C	0.75	1.0
Compound_3488	CC(C(=O)OC1CCCCC1)C	0.62	1.0
Compound_3489	CC(C(=O)OCC(C(C(C)C)OC(=O)C(C)C)(C)C)C	0.76	1.0
Compound_3490	CC1=CC2(C(CC1)C(C)C)C=CC(O2)C	0.56	1.0
Compound_3491	CC(C1OC(C)(C)OCC1(C)C)C	0.52	1.0
Compound_3492	C=CC(OC(=O)CC(C)C)(CCC=C(C)C)C	0.72	1.0
Compound_3493	CC(CC(=O)OC(C)C)C	0.71	1.0
Compound_3494	CC(CC(=O)OC1CCCCC1)C	0.64	1.0
Compound_3495	CC(CC(C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.69	1.0
Compound_3496	CC(CC1OCCC(C1)(C)O)C	0.18	0.0
Compound_3497	CC(CC1OCCC(C1)C)C	0.57	1.0
Compound_3498	OC(C(C(=O)OC(C)C)O)C(=O)OC(C)C	0.17	0.0
Compound_3499	CC(OC(=O)C(=C)C#N)C	0.7	1.0
Compound_3500	CC(OC(=O)C(=C1SCCS1)C(=O)OC(C)C)C	0.79	1.0
Compound_3501	CC(OC(=O)C(C)C)C	0.69	1.0
Compound_3502	CC(OC(=O)C(O)C)C	0.51	1.0
Compound_3503	CC(OC(=O)C1CC1)C	0.72	1.0
Compound_3504	CC(OC(=O)CC(=O)OC(C)C)C	0.6	1.0
Compound_3505	CC(=O)CC(=O)OC(C)C	0.66	1.0
Compound_3506	CC(OC(=O)CC1=CCCCC1)C	0.74	1.0
Compound_3507	CC(OC(=O)CCC(=O)OC(C)C)C	0.66	1.0
Compound_3508	CC(OC(=O)CCCCC(=O)OC(C)C)C	0.7	1.0
Compound_3509	CC(OCC(O)C)C	0.77	1.0
Compound_3510	N#CC1=C(C)CC(=O)N(C1=O)CCCOC(C)C	0.13	0.0
Compound_3511	OCC1OC(SC(C)C)C(C(C1O)O)O	0.4	0.0
Compound_3512	CC(OC(=O)C(=C)C)CCOC(=O)C(=C)C	0.56	1.0
Compound_3513	ClCCOS(=O)OC(COC(COc1ccc(cc1)C(C)(C)C)C)C	0.66	1.0
Compound_3514	OC(=O)C(OC(=O)C(O)C)C	0.32	0.0
Compound_3515	CC(COC(C)(C)C)O	0.71	1.0
Compound_3516	CC(C(F)(F)F)OC(=O)C(=C)C#N	0.74	1.0
Compound_3517	CCC1CCC2(CC1)CCC(=O)O2	0.59	1.0
Compound_3518	CCC=CCC1CCCC(=O)O1	0.76	1.0
Compound_3519	CCC=CCC1CCCC(=O)O1	0.76	1.0
Compound_3520	CCC=CCCC1(C)CCC(=O)O1	0.54	1.0
Compound_3521	CCC=CCCC1CCCC(=O)O1	0.76	1.0
Compound_3522	CC=CCCC1CCCC(=O)O1	0.7	1.0
Compound_3523	ClC(=O)C12CCC(C2(C)C)(C(=O)O1)C	0.42	0.0
Compound_3524	C=CC1(C)CCCC(O1)(C)C	0.47	0.0
Compound_3525	O=C1CCC2(CC1)OCC(CO2)(C)C	0.65	1.0
Compound_3526	CC1(C)COC2(OC1)CCCCC2	0.69	1.0
Compound_3527	O=C1CC(=O)OC(O1)(C)C	0.54	1.0
Compound_3528	OCC1COC(O1)(C)C	0.62	1.0
Compound_3529	CC12CCC(CC1)C(O2)(C)C	0.66	1.0
Compound_3530	CC1OC(CC(=C)C1)c1ccccc1	0.72	1.0
Compound_3531	CC1OC(=O)C(C1)C(=O)C	0.5	0.0
Compound_3532	CC1OC(=O)CC(C1)(C)C	0.44	0.0
Compound_3533	CC1CCC2(CC1)CCC(=O)O2	0.56	1.0
Compound_3534	CC1CCC2(O1)C(=CCCC2(C)C)C	0.49	0.0
Compound_3535	CC1CCCC(=O)O1	0.74	1.0
Compound_3536	CC1CCOC(C1)CC(=O)C	0.75	1.0
Compound_3537	CC1CCOC2(O1)CCCCC2	0.74	1.0
Compound_3538	CC1OC(C)(O)C(OC1(C)O)C	0.57	1.0
Compound_3539	CC1=CC(C)OC(C1)c1ccccc1	0.7	1.0
Compound_3540	CCC#CCC1CCCC(=O)O1	0.8	1.0
Compound_3541	CCC(=O)OC(C1CCC(=CC1)C)(C)C	0.69	1.0
Compound_3542	CCC(=O)OC(CCC=C(C)C)(C=C)C	0.71	1.0
Compound_3543	CCC(=O)OC(C)C	0.71	1.0
Compound_3544	COCC(OC(=O)CC)C	0.65	1.0
Compound_3545	CCC(=O)OC1CCC(CC1)C(C)C	0.56	1.0
Compound_3546	CCC(=O)OC1CCCCC1C(C)(C)C	0.44	0.0
Compound_3547	CCC(=O)OCC(OC(C1CCCC(C1)(C)C)C)(C)C	0.59	1.0
Compound_3548	CCC(=O)OC(COC(=O)CC)COC(=O)CC	0.4	0.0
Compound_3549	CCC(C(=O)OC(C)C)C	0.74	1.0
Compound_3550	CCC(COC1CCCCC1C(C)(C)C)O	0.42	0.0
Compound_3551	CCCC1CCC(CC1)OC(=O)C1CCC(CC1)CCC	0.75	1.0
Compound_3552	CCC1OC(C(=O)C1=O)C	0.45	0.0
Compound_3553	CCC1OC(C(=O)C1=O)C	0.45	0.0
Compound_3554	CCC1=CCCC(C21C=CC(O2)C)(C)C	0.5	0.0
Compound_3555	CCC1C(=O)OC2C1CCCC2	0.67	1.0
Compound_3556	CCCC(=O)OC(C1CCC(=CC1)C)(C)C	0.69	1.0
Compound_3557	CCCC(=O)OC(CCC=C(C)C)(C=C)C	0.71	1.0
Compound_3558	CCCC(=O)OC(C)C	0.74	1.0
Compound_3559	CCCC(=O)OC(C1CCCCC1)C	0.78	1.0
Compound_3560	CCCC(=O)OC1CCCCC1	0.85	1.0
Compound_3561	CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC	0.46	0.0
Compound_3562	CCCC1OCCC(C1)(C)OC(=O)C	0.61	1.0
Compound_3563	CCCC1CCCC(=O)O1	0.85	1.0
Compound_3564	CCCCC(C(=O)OC(C)C)CC	0.76	1.0
Compound_3565	CCCCC(C(=O)OCC(OC(=O)C(CCCC)CC)C)CC	0.35	0.0
Compound_3566	CCCCC(C(=O)OC(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC	0.22	0.0
Compound_3567	CCCCC(COC1OC(CO)C(C(C1O)O)O)CC	0.5	0.0
Compound_3568	CCCCC(C(=O)OC1CC(C)(C)N(C(C1)(C)C)C)(C(=O)OC1CC(C)(C)N(C(C1)(C)C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.09	0.0
Compound_3569	CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC	0.27	0.0
Compound_3570	CCCCC1(CC)CCC(=O)O1	0.55	1.0
Compound_3571	CCCCC1(CCCC)CCC(=O)O1	0.64	1.0
Compound_3572	CCCCC1OC(=O)C(C1)C(=O)C	0.53	1.0
Compound_3573	CCCCC1CC(=CC(O1)C)C	0.65	1.0
Compound_3574	CCCCC1CCCC(=O)O1	0.8	1.0
Compound_3575	CCCCC1COC2(O1)CCCC2	0.81	1.0
Compound_3576	CCCCC1OC(C)CC(O1)(C)C	0.58	1.0
Compound_3577	CCCCC1OC(C)CC(=C1)C	0.63	1.0
Compound_3578	CCCCCC(=O)OC(CCC=C(C)C)(C=C)C	0.78	1.0
Compound_3579	CCCCCC(=O)OC(C)C	0.76	1.0
Compound_3580	CCCCCC(=O)OCC(OC(=O)CCCCC)C	0.35	0.0
Compound_3581	CCCCCC(=O)OC(COC(=O)CCCCC)COC(=O)CCCCC	0.22	0.0
Compound_3582	CCCCCCC(CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)COC(=O)CCCCCCCC=CCC(CCCCCC)O)O	0.08	0.0
Compound_3583	CCCCCC1OCC(O1)C	0.85	1.0
Compound_3584	CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC	0.22	0.0
Compound_3585	CCCCCCC(OC(=O)CCCCC(=O)OC(CCCCCC)C)C	0.56	1.0
Compound_3586	CCCCCCC1OCC(O1)C	0.85	1.0
Compound_3587	CCCCCCC1OCC(O1)CO	0.7	1.0
Compound_3588	CCCCCCCC(=O)OC(CCC=C(C)C)(C=C)C	0.78	1.0
Compound_3589	CCCCCCCC(=O)OC(C)C	0.75	1.0
Compound_3590	CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C	0.35	0.0
Compound_3591	CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC	0.22	0.0
Compound_3592	CCCCCCCCC=CCCCCCCCC(=O)OC(C(=O)O)C	0.55	1.0
Compound_3593	CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C	0.4	0.0
Compound_3594	CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC	0.27	0.0
Compound_3595	CCCCCCCC1OCC(O1)C	0.85	1.0
Compound_3596	CCCCCCCCC(=O)OC(CCO)C	0.65	1.0
Compound_3597	CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC)C	0.35	0.0
Compound_3598	CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC	0.22	0.0
Compound_3599	CCCCCCCCC=CCCCCCCCC(=O)OC(C)C	0.8	1.0
Compound_3600	OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O	0.7	1.0
Compound_3601	OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O	0.7	1.0
Compound_3602	CCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_3603	CCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_3604	CCCCOC1OC(CO)C(C(C1O)O)O	0.44	0.0
Compound_3605	CCCCOC1OC(CO)C(C(C1O)O)O	0.44	0.0
Compound_3606	CCCCOC(=O)C(OC(=O)CCC)C	0.51	1.0
Compound_3607	CCCCOC(C)C	0.84	1.0
Compound_3608	CCCCOC(CO)C	0.79	1.0
Compound_3609	CCCCOC(OC(COC(CC)O)C)CC	0.53	1.0
Compound_3610	CCCOC(=O)C(OC(CC)(C)C)C	0.72	1.0
Compound_3611	CCCOC(CO)C	0.79	1.0
Compound_3612	CCO[Si](OCC)(CCCOC1CC(C)(C)NC(C1)(C)C)C	0.26	0.0
Compound_3613	CCOC(=O)CC1(C)OCC(O1)C	0.55	1.0
Compound_3614	OCC1OC(O)C(C(C1O)O)N	0.18	0.0
Compound_3615	CC(=C)C(=O)OC1CC(C)(C)N(C(C1)(C)C)C	0.23	0.0
Compound_3616	COC1OC(CO)C(C(C1O)O)O	0.41	0.0
Compound_3617	COC1OC(CO)C(C(C1O)O)O	0.41	0.0
Compound_3618	COC1OC(CO)C(C(C1O)O)O	0.41	0.0
Compound_3619	COC1OC(CO)C(C(C1O)O)O	0.41	0.0
Compound_3620	COC1OC(CO)C(C(C1O)O)O	0.41	0.0
Compound_3621	CO[Si](CC(OCC1OC1)C)(OC)OC	0.67	1.0
Compound_3622	C=CCc1ccc(c(c1)OC)OC1OC(CO)C(C(C1O)O)O	0.33	0.0
Compound_3623	COCC(OCC(O)C)C	0.75	1.0
Compound_3624	COCC(OCC(OC)C)C	0.71	1.0
Compound_3625	N#CCCOC1CCCCC1	0.53	1.0
Compound_3626	OCC1OC(O)C(C(C1O)O)O	0.43	0.0
Compound_3627	OCC1OC(O)C(C(C1O)O)O	0.43	0.0
Compound_3628	OCC1OC(O)C(C(C1O)O)O	0.43	0.0
Compound_3629	OCC1OC(O)C(C(C1O)O)O	0.43	0.0
Compound_3630	OC(=O)C1OC(Oc2ccc(cc2)N(=O)=O)C(C(C1O)O)O	0.42	0.0
Compound_3631	OC(=O)C1OC(Oc2c[nH]c3c2c(Cl)c(cc3)Br)C(C(C1O)O)O	0.31	0.0
Compound_3632	O=C(c1ccccc1)OCC1(OC2OC(COC(=O)c3ccccc3)C(C(C2OC(=O)c2ccccc2)OC(=O)c2ccccc2)OC(=O)c2ccccc2)OC(C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1	0.39	0.0
Compound_3633	O=C1CCC2(O1)CCCCC2	0.66	1.0
Compound_3634	O=C1CCC2C(O1)CCCC2	0.78	1.0
Compound_3635	OC(=O)C(CC(=O)O)OC(C(=O)O)CC(=O)O	0.24	0.0
Compound_3636	OCC(C(C(C(=O)COC1OC(CO)C(C(C1O)O)O)O)O)O	0.31	0.0
Compound_3637	OCC1OC(Oc2ccc(cc2)O)C(C(C1O)O)O	0.2	0.0
Compound_3638	OCC1OC(Oc2c[nH]c3c2c(Cl)c(cc3)Br)C(C(C1O)O)O	0.29	0.0
Compound_3639	OCC1OC(Oc2c[nH]c3c2c(Cl)c(cc3)Br)C(C(C1O)O)O	0.29	0.0
Compound_3640	O=CC(C(C(C(COC1OC(CO)C(C(C1O)O)O)O)O)O)O	0.31	0.0
Compound_3641	OCC(=O)C(C(C(COC1OC(CO)C(C(C1O)O)O)O)O)O	0.31	0.0
Compound_3642	OCC1OC(Oc2ccc(cc2)N(=O)=O)C(C(C1O)O)O	0.25	0.0
Compound_3643	OCC1OC(=O)C(C(C1O)O)O	0.48	0.0
Compound_3644	OC1OC(C(=O)O)C(C(C1O)O)O	0.57	1.0
Compound_3645	OCC(C(C(C(COC1OC(CO)C(C(C1O)O)O)O)O)O)O	0.24	0.0
Compound_3646	OCCCOC(COCCCO)COCCCO	0.6	1.0
Compound_3647	CCCCc1ccc2c(c1)n[nH]n2	0.55	1.0
Compound_3648	O=C1Nc2ccccc2CCC1Br	0.31	0.0
Compound_3649	C1CCc2c(C1)cccc2	0.95	1.0
Compound_3650	CC(CC(=O)Cc1ccccc1)C	0.84	1.0
Compound_3651	OC(Cc1ccccc1)CC(C)C	0.55	1.0
Compound_3652	CC(CCc1ccccc1)N	0.17	0.0
Compound_3653	CC(CCc1ccccc1)O	0.69	1.0
Compound_3654	CC1CCc2c(N1)cccc2	0.32	0.0
Compound_3655	CCCC(Cc1ccccc1)O	0.68	1.0
Compound_3656	CCCCc1ccc(cc1)Br	0.69	1.0
Compound_3657	CCCCc1ccc(cc1)N	0.79	1.0
Compound_3658	CCCCc1ccccc1	0.49	0.0
Compound_3659	CCCCCc1ccc(cc1)Br	0.77	1.0
Compound_3660	CCCCCc1ccccc1	0.64	1.0
Compound_3661	O=CCc1cccc2c1CCCC2	0.83	1.0
Compound_3662	OCCCCc1ccccc1	0.64	1.0
Compound_3663	CC1C(=O)OC2C1CCC1(C2=C(C)CCC1=O)C	0.48	0.0
Compound_3664	C=CC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)C)C(C1C2(C)C(O)CCC1(C)C)O)O	0.67	1.0
Compound_3665	CC(=O)OC1(C)CCC23CC1C(C)(C)C2CCC3C	0.31	0.0
Compound_3666	CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C3C1(OC(=O)C)C3(C)C)C=C(CC1(C2C=C(C1=O)C)O)CO	0.22	0.0
Compound_3667	O=C1OC2C3(C1)C(=O)OC1C3(C(C2)(O)C(C)(C)C)C(O)C(=O)O1	0.31	0.0
Compound_3668	CC1CCC2C31CC1OC1(C(C3)C2(C)C)C	0.48	0.0
Compound_3669	CC1CCC2C31CC1OC1(C(C3)C2(C)C)C	0.48	0.0
Compound_3670	CC(=O)OCC1C2CCC3C1(C)CCCC(C23)(C)C	0.58	1.0
Compound_3671	ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl	0.8	1.0
Compound_3672	ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl	0.8	1.0
Compound_3673	CCCCCCCCC=CCCCCCCCCOC(=O)CC(C(=O)O)(CC(=O)O)O	0.2	0.0
Compound_3674	CCCC(=O)OC1CC2(C(C1CC2)(C)C)C	0.43	0.0
Compound_3675	O=C1OC(=O)C2C(C1)C1CC2C(=O)OC1=O	0.57	1.0
Compound_3676	O=C1CC2C(O1)(C)CCC1C2(C)CCCC1(C)C	0.34	0.0
Compound_3677	CC1(C)CCCC2(C1CCC1(C2CCO1)C)C	0.56	1.0
Compound_3678	CC1(C)CCCC2(C1CCC1(C2CCO1)C)C	0.56	1.0
Compound_3679	O=C1C=C2C(O1)(C)CCCC2(C)C	0.62	1.0
Compound_3680	O=C1C=C2C(O1)(C)CCCC2(C)C	0.62	1.0
Compound_3681	CC1CCC(C(C1)OC(=O)C)C(=C)C	0.37	0.0
Compound_3682	CC(=O)OC1CC(CCC1C)C(=C)C	0.37	0.0
Compound_3683	CC(=O)OC1CC(CCC1C)C(=C)C	0.37	0.0
Compound_3684	CC1CCC2C(C31COC(OC3)(C)C)C2(C)C	0.64	1.0
Compound_3685	CC1CCC2C(C31COC(OC3)(C)C)C2(C)C	0.64	1.0
Compound_3686	CC(=O)OCC1=CCC23CC1C(C)(C)C2CCC3C	0.64	1.0
Compound_3687	CC1CCC2C31CC1OC(OC1(C(C3)C2(C)C)C)(C)C	0.47	0.0
Compound_3688	C[Si](O[Si](CCC1CCC2C(C1)O2)(C)C)(CCC1CCC2C(C1)O2)C	0.66	1.0
Compound_3689	C[SiH](O[Si](CCC1CCC2C(C1)O2)(C)C)C	0.67	1.0
Compound_3690	CC=C(C(=O)OCCC(CCC=C(C)C)C)C	0.91	1.0
Compound_3691	C=CC(=O)OCC1CC2CC1C1C2C(CC1)COC(=O)C=C	0.66	1.0
Compound_3692	C=CC(=O)OCCOC1C2CCC1C1C2CC=C1	0.67	1.0
Compound_3693	C=CC(=O)OCCOC1CC2CC1C1C2CC=C1	0.67	1.0
Compound_3694	C=CCOC(=O)CC1CCCCC1	0.78	1.0
Compound_3695	C1CC2C(C1)C1CC2CC21OCCO2	0.83	1.0
Compound_3696	C1CC2C(C1)C1CC2CC21CCCO2	0.75	1.0
Compound_3697	C1OC1C1CCC2C(C1)O2	0.86	1.0
Compound_3698	CC(=C)C(=O)OC1CC2C(C1(C)CC2)(C)C	0.38	0.0
Compound_3699	CC(=C)C(=O)OC1C=CC2C1C1C=CC2C1	0.68	1.0
Compound_3700	CC(=C)C(=O)OC1CC2CC1C1C2CCC1	0.64	1.0
Compound_3701	O=C(C(=C)C)OCC1CC2CC1C1C2C(CC1)COC(=O)C(=C)C	0.64	1.0
Compound_3702	O=C(C1CCCCC1C(=O)O)OCCOC(=O)C(=C)C	0.54	1.0
Compound_3703	CC(=C)C(=O)OCCOC1CC2CC1C1C2CC=C1	0.69	1.0
Compound_3704	CC(=O)OC1CC(CCC1=C)C(=C)C	0.53	1.0
Compound_3705	CC(=C)C1CCC2(C(C1)O2)C	0.52	1.0
Compound_3706	CC(=O)CC(=O)OC1CC2C(C1(C)CC2)(C)C	0.44	0.0
Compound_3707	CC(=O)OC1C2CC(C1=C)C1C2CC=C1C	0.5	0.0
Compound_3708	CC(=O)OC1CC(CC=C1C)C(=C)C	0.4	0.0
Compound_3709	CC(=O)OC1CC(CC=C1C)C(=C)C	0.4	0.0
Compound_3710	CC(=O)OC1CC2C(C1(C)CC2)(C)C	0.22	0.0
Compound_3711	CC(=O)OC1CC2C(C1(C)CC2)(C)C	0.22	0.0
Compound_3712	CC(=O)OC1CC2C(C1(C)CC2)(C)C	0.22	0.0
Compound_3713	CC(=O)OC1CC2C(C1(C)CC2)(C)C	0.22	0.0
Compound_3714	CC(=O)OC12CCCC(C1)(C)CCC1C2CC1(C)C	0.33	0.0
Compound_3715	CC(=O)OC1C2(C)CCC(C1(C)C)C2	0.53	1.0
Compound_3716	CC(=O)OC1CC2CC(C1=C)C2(C)C	0.38	0.0
Compound_3717	CC(=O)OC1CC2CC1C1C2CC=C1	0.61	1.0
Compound_3718	CC(=O)OC1CC2CC1C1C2C=CC1	0.61	1.0
Compound_3719	CC(=O)OC1CC2CC1C1C2CCC1	0.67	1.0
Compound_3720	CC(=O)OC1CCC2C(C1)(C)CCCC2(C)C	0.35	0.0
Compound_3721	CC(=O)OC1CCC2C(C1)CCCC2	0.72	1.0
Compound_3722	CC(=O)OC1CCCC(C1)C(C)(C)C	0.34	0.0
Compound_3723	CC(=O)OCC1=CCC2CC1C2(C)C	0.57	1.0
Compound_3724	CC(=O)OCCC1CCCCC1	0.87	1.0
Compound_3725	O=C(C(C)(C)C)OC1CC2CC1C1C2CC=C1	0.5	0.0
Compound_3726	O=C(C(C)(C)C)OC1CC2CC1C1C2C=CC1	0.5	0.0
Compound_3727	O=C(C1CC2CC1C=C2)OC(C)(C)C	0.68	1.0
Compound_3728	CC(C1CCC2C(C1)O2)(C1CCC2C(C1)O2)C	0.62	1.0
Compound_3729	O=C(C1CC=CCC1C(=O)O)OCC(COC(=O)C1CC=CCC1C(=O)O)(C)C	0.5	0.0
Compound_3730	CC1CCC(C(C1)OC(=O)C(O)C)C(C)C	0.33	0.0
Compound_3731	CC1CCC(C(C1)OC(=O)C(O)C)C(C)C	0.33	0.0
Compound_3732	CC1CCC(C(C1)OC(=O)CCC(=O)O)C(C)C	0.36	0.0
Compound_3733	CC1CCC(C(C1)OC(=O)CCCC(=O)O)C(C)C	0.33	0.0
Compound_3734	CC1CCC(C(C1)OC(=O)C)C(C)C	0.23	0.0
Compound_3735	CC1CCC(C(C1)OC(=O)C)C(C)C	0.23	0.0
Compound_3736	CC1CCC(C(C1)OC(=O)C)C(C)C	0.23	0.0
Compound_3737	CC1CCC(C(C1)OC(=O)C)C(C)C	0.23	0.0
Compound_3738	OCC(COC1CC(C)CCC1C(C)C)(O)C	0.27	0.0
Compound_3739	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C)C	0.67	1.0
Compound_3740	C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C	0.47	0.0
Compound_3741	C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C	0.47	0.0
Compound_3742	CC(=CCC1C(=CCC2C1C(=O)OC2=O)C)C	0.4	0.0
Compound_3743	O=C(C(C)C)OC1CC2C(C1(C)CC2)(C)C	0.22	0.0
Compound_3744	O=C(C(C)C)OC1CC2C(C1(C)CC2)(C)C	0.22	0.0
Compound_3745	O=C(C(C)C)OC1CC2CC1C1C2CC=C1	0.54	1.0
Compound_3746	O=C(C(C)C)OC1CC2CC1C1C2C=CC1	0.54	1.0
Compound_3747	O=C(C(C)C)OC1CCC2C(C1)CCCC2	0.61	1.0
Compound_3748	CC1=CC2CC(C1CC2C(C)C)C1OCCO1	0.62	1.0
Compound_3749	OCC1COC2(O1)CC(C)CCC2C(C)C	0.55	1.0
Compound_3750	OCC(COC1CC(C)CCC1C(C)C)O	0.34	0.0
Compound_3751	CC(C1CCC2(C(C1=O)O2)C)C	0.46	0.0
Compound_3752	CC(C1OCC2C(CO1)C1CC2C=C1)C	0.68	1.0
Compound_3753	CC(CC(=O)OC1CC2C(C1(C)CC2)(C)C)C	0.32	0.0
Compound_3754	CC(CC(=O)OC1CC2C(C1(C)CC2)(C)C)C	0.32	0.0
Compound_3755	CC(CC(=O)OC1C2(C)CCC(C1(C)C)C2)C	0.48	0.0
Compound_3756	CC1CCC(C(C1)OC(=O)CC(C)C)C(C)C	0.37	0.0
Compound_3757	CC(CCC=C(C)C)CCOC(=O)CC(C)C	0.91	1.0
Compound_3758	CC(CCOC(=O)C)CCCC(C)C	0.78	1.0
Compound_3759	CC(CCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCCCCCC(C)C)(CC(=O)OCCCCCCCCCCCCCCCC(C)C)O)C	0.32	0.0
Compound_3760	CC(CC(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)CCC=C(C)C	0.84	1.0
Compound_3761	CC(CCCCCCCOC(=O)CC(C(=O)O)(CC(=O)O)O)C	0.26	0.0
Compound_3762	CC(COC(=O)C1CCCCC1C(=O)OCC(C)C)C	0.64	1.0
Compound_3763	CC(CC(C)(C)C)CC(=O)OCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C	0.7	1.0
Compound_3764	CC(CC(C)(C)C)CC1OCCO1	0.64	1.0
Compound_3765	CC(CCOC(=O)C)CCCC(=C)C	0.84	1.0
Compound_3766	CC(CCC=C(C)C)CCOC(=O)C(C)C	0.91	1.0
Compound_3767	O=C(CC(CC(C)(C)C)C)OCCC(CC(C)(C)C)C	0.76	1.0
Compound_3768	CC(CC(C)(C)C)CCOC(=O)C	0.75	1.0
Compound_3769	CC(CCC=C(C)C)CCOC(=O)C	0.91	1.0
Compound_3770	O=CCOCCC(CCC=C(C)C)C	0.85	1.0
Compound_3771	OCC(COC1CC2C(C1(C)CC2)(C)C)C	0.32	0.0
Compound_3772	O=C(C1CCCCC1C(=O)O)OCC(C(=O)O)(COC(=O)C1CCCCC1C(=O)O)C	0.63	1.0
Compound_3773	CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O	0.65	1.0
Compound_3774	CCC=C(C(OC(=O)C1C(C1(C)C)C=C(C)C)C#C)C	0.63	1.0
Compound_3775	CC=C(C(=O)OC1CC(C)CCC1C(C)C)C	0.36	0.0
Compound_3776	CC=C1CC2CC1C1C2OC(=O)CC1	0.66	1.0
Compound_3777	CC=C1CC2CC1C1C2OCCC1	0.7	1.0
Compound_3778	CC=CC(=O)OC1CCCC1C1CCCC1	0.62	1.0
Compound_3779	CC=CC(=O)OCCC(CCC=C(C)C)C	0.91	1.0
Compound_3780	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br	0.94	1.0
Compound_3781	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F)F)Cl	0.96	1.0
Compound_3782	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.94	1.0
Compound_3783	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.94	1.0
Compound_3784	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.94	1.0
Compound_3785	C=CC(=O)OC1CC2C(C1(C)CC2)(C)C	0.3	0.0
Compound_3786	OCCOC1CC2C(C1(C)CC2)(C)C	0.31	0.0
Compound_3787	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C	0.74	1.0
Compound_3788	N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.84	1.0
Compound_3789	O=C(C(C(C(=O)OC1CC(C)(C)NC(C1)(C)C)CC(=O)OC1CC(C)(C)NC(C1)(C)C)CC(=O)OC1CC(C)(C)NC(C1)(C)C)OC1CC(C)(C)NC(C1)(C)C	0.24	0.0
Compound_3790	O=C1OC23CCCC(C3CC1(C)CC2)(C)C	0.32	0.0
Compound_3791	CC1(O)CCC2C3(C1)OC3CCC2(C)C	0.33	0.0
Compound_3792	CC1=C(C)CC2C(C1)COC(C2)(C)C	0.52	1.0
Compound_3793	O=C1OC(=O)C(C1)C1C=C(C)C2C(C1)C(=O)OC2=O	0.5	0.0
Compound_3794	CC1=CCC(C1(C)C)C12CCCC(C2)(OC1)C	0.45	0.0
Compound_3795	CC12CCC3(CC1)C1(C2)OC1CCC3(C)C	0.56	1.0
Compound_3796	CC12CCC3C(O2)(CO1)CCC1C3(C)CCCC1(C)C	0.53	1.0
Compound_3797	CC1(C)C2CC3C(C1C2)(C)O3	0.67	1.0
Compound_3798	O=C1CCC2C3(C1C(C)(C)C(C3(C)C)C)O2	0.64	1.0
Compound_3799	CC(=O)OC1(C)CCC(C1C)C(=C)C	0.57	1.0
Compound_3800	CC(=O)OC1C2CC3C(=C)C1CC(C2C)C3	0.6	1.0
Compound_3801	CC1CCC2C(C1)OC(=O)C2C	0.49	0.0
Compound_3802	CC1CC(C)C(C(C1)C)COC(=O)C	0.72	1.0
Compound_3803	CC1CC(OC(=O)C(=C)C)CC(C1)(C)C	0.42	0.0
Compound_3804	C=CC(=O)OC1CC(C)CC(C1)(C)C	0.37	0.0
Compound_3805	CC1CC(OC(=O)C)CC(C1)(C)C	0.33	0.0
Compound_3806	CC(=O)OC1CC(C)C2C(C(=C1)C)CC(=C(C)C)C2	0.43	0.0
Compound_3807	CC1CC2C(O1)C1C(CC2)C(C(C1(C)C)C)(C)C	0.54	1.0
Compound_3808	CC(=O)OCC1C(C)CCC(C1C)C	0.75	1.0
Compound_3809	CC1CCC(C(C1)C)COC(=O)C	0.75	1.0
Compound_3810	CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C	0.36	0.0
Compound_3811	CC1CCC2=C(C(=O)OC2C1)C	0.52	1.0
Compound_3812	CC1CCC23C1(CC1CCC3(C1(C)C)C)O2	0.56	1.0
Compound_3813	CC1CCCC2C1C(=O)OC2=O	0.57	1.0
Compound_3814	CC1CCCCC1C(=O)OC(C)(C)C	0.43	0.0
Compound_3815	CC1CC=CCCCCCCCC(=O)OCC1	0.72	1.0
Compound_3816	CC1=CCC2C(C1)C1CC2CC21OC2C	0.58	1.0
Compound_3817	CC1=CCC2C(C1)C1CC2C2(C1)OC2C	0.58	1.0
Compound_3818	CC1OC1C1CCC2(C(C1)O2)C	0.53	1.0
Compound_3819	CC1C=CC2(O1)C(=CCC(C2C)C)C	0.62	1.0
Compound_3820	CC1OCC2(CO1)CC1CC2CC1	0.73	1.0
Compound_3821	CCC(=O)OC1CC2C(C1(C)CC2)(C)C	0.43	0.0
Compound_3822	CCC(=O)OC1CC(CC=C1C)C(=C)C	0.54	1.0
Compound_3823	CCC(=O)OC1CC2CC1C1C2CC=C1	0.69	1.0
Compound_3824	CCC(=O)OC1CC2CC1C1C2C=CC1	0.69	1.0
Compound_3825	CCC(=O)OCCC(CC(C)(C)C)C	0.75	1.0
Compound_3826	CCC(=O)OCCC(CCC=C(C)C)C	0.91	1.0
Compound_3827	CCC(C1CCCCC1OC(=O)C)(C)C	0.42	0.0
Compound_3828	CCC(C1(C)COC(OC1)C1CCC(=CC1C)C)C	0.67	1.0
Compound_3829	CCC(C1CCCCC1(C)OC(=O)C)C	0.49	0.0
Compound_3830	CCC(C1CCCCC1(C=C)OC(=O)C)C	0.49	0.0
Compound_3831	CCC(CCOC(=O)C(=CC)C)C	0.82	1.0
Compound_3832	CCC1OCCC2(O1)CC(=CCC2C)C	0.59	1.0
Compound_3833	CCCC(=O)OC1CC2C(C1(C)CC2)(C)C	0.43	0.0
Compound_3834	CCCC(=O)OCCC(CCC=C(C)C)C	0.91	1.0
Compound_3835	CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C	0.11	0.0
Compound_3836	CCCCC(=O)OCCC(CCC=C(C)C)C	0.91	1.0
Compound_3837	CCCCC(COC(=O)C1C(C(=O)OCC(CCCC)CC)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl)CC	0.72	1.0
Compound_3838	CCCCC(COC(=O)C1CC=CCC1C(=O)OCC(CCCC)CC)CC	0.69	1.0
Compound_3839	CCCCC(COC(=O)C1CC2OC2CC1C(=O)OCC(CCCC)CC)CC	0.54	1.0
Compound_3840	CCCCC(COC(=O)C1CCCCC1C(=O)OCC(CCCC)CC)CC	0.69	1.0
Compound_3841	CCCCC(COC(=O)CC(CC(C)(C)C)C)CC	0.75	1.0
Compound_3842	CCCCC(COC(=O)C(CC(=O)OCC(CCCC)CC)(CC(=O)OCC(CCCC)CC)O)CC	0.24	0.0
Compound_3843	CCCCCC(=O)OCCC(CCC=C(C)C)C	0.91	1.0
Compound_3844	CCCCCC1CC(=O)C=C(C1C(=O)OCC)C	0.6	1.0
Compound_3845	CCCCCCC(OC(=O)CC1C=CCC1)C	0.78	1.0
Compound_3846	CCCCCCCC(=O)OC1C(OC(=O)CC(=CC)C)C=C2C1C(C)(OC(=O)C)CC(C1(C2OC(=O)C1(C)O)O)OC(=O)CCC	0.3	0.0
Compound_3847	CCCCCCCC(=O)OC1CC(C)CCC1C(C)C	0.45	0.0
Compound_3848	CCCCCCCC(=O)OCCC(CCC=C(C)C)C	0.91	1.0
Compound_3849	CCCCCCCCCC(OC(=O)C(C(C(C1CC(C)(C)NC(C1)(C)C)(C(=O)O)CC(=O)O)(C1CC(C)(C)NC(C1)(C)C)C(=O)O)C1CC(C)(C)NC(C1)(C)C)CCC	0.17	0.0
Compound_3850	CCCCCCCCCCC(COC(=O)CC(CC(C)(C)C)C)CCCCCCCC	0.75	1.0
Compound_3851	CCCCCCCCCCCCCCCCCCOC(=O)C1CC2OC2CC1C(=O)OCCCCCCCCCCCCCCCCCC	0.57	1.0
Compound_3852	CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCCCC)O	0.24	0.0
Compound_3853	CCCCCCCCCCCCOC(=O)CC(C(=O)O)(CC(=O)O)O	0.25	0.0
Compound_3854	CCCCCCCCCCOC(=O)C1CC2OC2CC1C(=O)OCCCCCCCCCC	0.57	1.0
Compound_3855	CCCCOC(=O)C1C(C(=O)OCCCC)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.72	1.0
Compound_3856	CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC	0.31	0.0
Compound_3857	CCCCOC(=O)C(CC(=O)OCCCC)(CC(=O)OCCCC)O	0.33	0.0
Compound_3858	CCOC1CC(C)CC(C1)(C)C	0.52	1.0
Compound_3859	CCOC1CC(C)CC(C1)(C)C	0.52	1.0
Compound_3860	CCOC1CC(C)CC(C1)(C)C	0.52	1.0
Compound_3861	CCOC1CC2C(C1(C)CC2)(C)C	0.41	0.0
Compound_3862	CCO[Si](CCC1CCC2C(C1)O2)(OCC)OCC	0.7	1.0
Compound_3863	CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C	0.49	0.0
Compound_3864	CCOC1=CC(C(C(C1)(C)C)C(=C)OCC)(C)C	0.46	0.0
Compound_3865	CCOC(=O)C1C(C)CCCC1(C)C	0.56	1.0
Compound_3866	CCOC(=O)C1C2C=CC(C1C(C)C)C2	0.61	1.0
Compound_3867	CCOC(=O)C1C2C=CC(C1C(C)C)C2	0.61	1.0
Compound_3868	CCOC(=O)C(=O)C(CC)C	0.51	1.0
Compound_3869	CCOC(=O)C(=O)OCCC(CCC=C(C)C)C	0.54	1.0
Compound_3870	CCOC(=O)C(C1CCCCC1)C	0.84	1.0
Compound_3871	CCOC(=O)C(C1CCC=C1)CC=C	0.79	1.0
Compound_3872	CCOC(=O)C1=C(CC)C(C)CCC1(C)C	0.65	1.0
Compound_3873	CCOC(=O)C1C(=C(C)CCC1(C)C)C	0.59	1.0
Compound_3874	CCOC(=O)C1C(C1(C)C)C=C(C)C	0.55	1.0
Compound_3875	CCOC(=O)C1C(=C(C)CCC1(C)C)CC	0.65	1.0
Compound_3876	CCOC(=O)C1C(=CCCC1(C)C)CC	0.65	1.0
Compound_3877	CCOC(=O)CC(C(=O)OCC)C(=O)C	0.43	0.0
Compound_3878	CCOC(=O)CC(CC(C)(C)C)C	0.74	1.0
Compound_3879	CCOC(=O)C(OC(=O)C)(CC(=O)OCC)CC(=O)OCC	0.46	0.0
Compound_3880	CCOC(=O)CC(C(=O)OCC)CC(=O)C	0.56	1.0
Compound_3881	CCOC(=O)C(CC(=O)OCC)(CC(=O)OCC)O	0.32	0.0
Compound_3882	CCOC(=O)CC(C(=O)OCC)(CC(=O)O)O	0.35	0.0
Compound_3883	CCOC(=O)CC1CCCCC1	0.89	1.0
Compound_3884	CCOC(CC(CCCC(O)(C)C)C)OCC	0.43	0.0
Compound_3885	CCOC(C1CC2CC1C1C2CC=C1)OCC	0.7	1.0
Compound_3886	CCOC(C1CC2CC1C1C2C=CC1)OCC	0.7	1.0
Compound_3887	CCOC1=CC(CC(C1)C)(C)C	0.48	0.0
Compound_3888	CCOC1C2(C)CCC(C1(C)C)C2	0.59	1.0
Compound_3889	CCOCC(=O)OC1CC(C)CCC1C(C)C	0.62	1.0
Compound_3890	CCOCCC(CCC=C(C)C)C	0.83	1.0
Compound_3891	CCOCCC(CCCC(C)C)C	0.81	1.0
Compound_3892	O=C(CC(C(C(=O)OC1CC(C)(C)N(C(C1)(C)C)C)CC(=O)OC1CC(C)(C)N(C(C1)(C)C)C)C(=O)OC1CC(C)(C)N(C(C1)(C)C)C)OC1CC(C)(C)N(C(C1)(C)C)C	0.1	0.0
Compound_3893	CO[Si](CCC1CCC2C(C1)O2)(OC)OC	0.59	1.0
Compound_3894	COC(=O)C1OC1(C)C1CC2CC1C=C2	0.53	1.0
Compound_3895	COC(OCCC(CCC=C(C)C)C)C	0.84	1.0
Compound_3896	COCC1OC(=O)c2c3C1(C)C1=C(C(=O)c3oc2)C2C(CC1OC(=O)C)(C)C(=O)CC2	0.32	0.0
Compound_3897	O=C(CC1C=CCC1)OC1CCCCC1	0.72	1.0
Compound_3898	O=C(C1CCCCC1C(=O)OCC1OC1)OCC1OC1	0.63	1.0
Compound_3899	O=C1OC(=O)C2C1C1C=CC2C1	0.41	0.0
Compound_3900	O=C1OC(=O)C2C1C1C=CC2C1	0.41	0.0
Compound_3901	O=C1OC(=O)C2C1C1C2C(=O)OC1=O	0.47	0.0
Compound_3902	O=CCOC1CC2CC1C1C2C=CC1	0.63	1.0
Compound_3903	C=CCOC(=O)C(C(C(=O)O)(CC=C)CC=C)(CC=C)CC=C	0.5	0.0
Compound_3904	O=CC(=C)OCCOC(=O)C1CC=CCC1C(=O)O	0.54	1.0
Compound_3905	O=C(C1CCCCC1C(=O)O)OC(COC(=O)C1CCCCC1C(=O)O)COC(=O)C1CCCCC1C(=O)O	0.59	1.0
Compound_3906	C=CC(=O)OCCOC(=O)C1CCCCC1C(=O)O	0.58	1.0
Compound_3907	C=CC1C(OC=C2C1(O)CCOC2=O)OC1OC(CO)C(C(C1O)O)O	0.48	0.0
Compound_3908	CC(C(=O)C(Cc1ccccc1)(C)C)C	0.85	1.0
Compound_3909	CC(C(O)C)Cc1ccccc1	0.67	1.0
Compound_3910	CCC(Cc1ccc(cc1)c1ccc(cc1)C#N)C	0.72	1.0
Compound_3911	CC1OC(C)C2C(O1)c1ccccc1C2	0.66	1.0
Compound_3912	CCCCCC(Cc1ccccc1)CO	0.73	1.0
Compound_3913	CCC(C(=O)OCC)Cc1ccccc1	0.87	1.0
Compound_3914	COc1ccc(cc1)CC(C(=O)C)C	0.71	1.0
Compound_3915	NC1CCC(CC1)Cc1ccc(cc1)N	0.4	0.0
Compound_3916	O=C(c1ccc(cc1)c1ccccc1)C1CCCCC1	0.64	1.0
Compound_3917	O=C1C2C(=Nc3c(C2=O)cccc3)C(=O)C2C1=Nc1ccccc1C2=O	0.24	0.0
Compound_3918	O=C1C2CC3=Nc4ccccc4C(=O)C3CC2=Nc2c1cccc2	0.22	0.0
Compound_3919	CCN(CCOC(=O)C(Cc1cccc2c1cccc2)CC1CCCO1)CC	0.1	0.0
Compound_3920	O=C(C1(O)CCCCC1)c1ccccc1	0.88	1.0
Compound_3921	CCCCC(COC(=O)CCCCCCC(=O)OCC(CCCC)CC)CC	0.32	0.0
Compound_3922	CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC	0.32	0.0
Compound_3923	CCCCCC=CCC=CCCCCCCCC(=O)OCC(CCCC)CC	0.79	1.0
Compound_3924	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)CC	0.43	0.0
Compound_3925	CCCCCCCC(=O)OCC(CCCC)CC	0.78	1.0
Compound_3926	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(CO)CC	0.38	0.0
Compound_3927	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)CC	0.46	0.0
Compound_3928	CCCCCCCCC=CCCCCCCCC(=O)OCC(CCCC)CC	0.79	1.0
Compound_3929	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCC)CC	0.43	0.0
Compound_3930	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)CC	0.43	0.0
Compound_3931	CCCCCCCCC(=O)OCC(CCCC)CC	0.78	1.0
Compound_3932	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)CC	0.54	1.0
Compound_3933	CC(C1CCC(CC1)C(=O)Nc1ccncc1)N	0.31	0.0
Compound_3934	O=NSC(C(C(=O)O)NC(=O)C)(C)C	0.31	0.0
Compound_3935	NC(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C	0.0	0.0
Compound_3936	O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C	0.01	0.0
Compound_3937	OC(=O)CC1C(CNC1C(=O)O)C(=C)C	0.11	0.0
Compound_3938	CC(=O)NC(C(S)(C)C)C(=O)O	0.2	0.0
Compound_3939	CC1(N)CCC(CC1)C(N)(C)C	0.23	0.0
Compound_3940	NC(C(=O)O)C(C)C	0.06	0.0
Compound_3941	NC(C(=O)O)C(C)C	0.06	0.0
Compound_3942	NC(C(=O)O)C(C)C	0.06	0.0
Compound_3943	CC(C(C)C)N	0.62	1.0
Compound_3944	Cc1cnc(c(c1)C(=O)O)C1=NC(=O)C(N1)(C)C(C)C	0.17	0.0
Compound_3945	Cc1cnc(c(c1)C(=O)O)C1=NC(=O)C(N1)(C)C(C)C	0.17	0.0
Compound_3946	NCCCCC(C(NCCC#N)(C)C)C	0.38	0.0
Compound_3947	NCCNCCNCCNCCNC(C(N)(C)C)C	0.27	0.0
Compound_3948	CCC(C(C(=O)O)N)C	0.13	0.0
Compound_3949	OC(=O)C1N2C(=O)C(C2SC1(C)C)N	0.06	0.0
Compound_3950	NC1CCCC(C1C)N	0.33	0.0
Compound_3951	NC1CCC(C(C1)N)C	0.31	0.0
Compound_3952	CCC1(C)CC(=O)C(C(N1OC(c1ccccc1)C)(C)CC)C	0.3	0.0
Compound_3953	CCNC(C(C)C)C	0.54	1.0
Compound_3954	CCNc1nc(NC(C(C)C)C)nc(n1)SC	0.69	1.0
Compound_3955	NCC1CCCC1N	0.33	0.0
Compound_3956	Oc1ccc(cc1)C(O)C	0.97	1.0
Compound_3957	CC(NCC(c1ccc(c(c1)O)O)O)C	0.03	0.0
Compound_3958	CNCC(c1ccc(c(c1)O)O)O	0.11	0.0
Compound_3959	COc1cc(ccc1O)C(C(=O)O)O	0.81	1.0
Compound_3960	COc1cc(ccc1O)C1OCC=C(C1)C	0.56	1.0
Compound_3961	NCC(c1ccc(c(c1)O)O)O	0.15	0.0
Compound_3962	CC1=CCC(CC1)(O)C(C)C	0.16	0.0
Compound_3963	CC(C1=CCC(CC1)(C)O)C	0.16	0.0
Compound_3964	CC(C(C=CC1CC=C(C1(C)C)C)(C)C)O	0.51	1.0
Compound_3965	CC(C(C=CC1CC=C(C1(C)C)C)C)O	0.51	1.0
Compound_3966	CCC(CC=CC1CC=C(C1(C)C)C)O	0.5	0.0
Compound_3967	CC=CC=CCO	0.86	1.0
Compound_3968	CC=CC=CCO	0.86	1.0
Compound_3969	C1C=CC=C1	0.96	1.0
Compound_3970	CC(=CC=C(C)C)C	0.72	1.0
Compound_3971	CC=CC(=C)C	0.86	1.0
Compound_3972	CC=CC=C	0.98	1.0
Compound_3973	CC=CC=CCOC(=O)C(C)C	0.75	1.0
Compound_3974	CCCCC(=C)C(=CC)C	0.52	1.0
Compound_3975	CCCCC(=C)C(=CC)C	0.52	1.0
Compound_3976	CCCCCC#CC=CC=C	0.87	1.0
Compound_3977	CCCCCCN(C=CC=C(C#N)C#N)CCCCCC	0.57	1.0
Compound_3978	OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F	0.71	1.0
Compound_3979	OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C	0.04	0.0
Compound_3980	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C	0.11	0.0
Compound_3981	OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C	0.04	0.0
Compound_3982	CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)C(O)CC(C3)O)C	0.22	0.0
Compound_3983	CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C	0.26	0.0
Compound_3984	OC1CC(O)C2(C(=CCC3C2CCC2(C3CC3C2C(C)C2(O3)CCC(=C)CO2)C)C1)C	0.24	0.0
Compound_3985	OC(=O)c1ccccc1O	0.29	0.0
Compound_3986	OC(=O)c1ccccc1O	0.29	0.0
Compound_3987	OC(=O)c1ccccc1O	0.29	0.0
Compound_3988	OC(=O)c1ccccc1O	0.29	0.0
Compound_3989	OC(=O)c1ccccc1O	0.29	0.0
Compound_3990	OC(=O)c1ccccc1O	0.29	0.0
Compound_3991	OC(=O)c1ccccc1O	0.29	0.0
Compound_3992	OC(=O)c1ccccc1O	0.29	0.0
Compound_3993	OC(=O)c1ccccc1O	0.29	0.0
Compound_3994	OC(=O)c1ccccc1O	0.29	0.0
Compound_3995	OC(=O)c1ccccc1O	0.29	0.0
Compound_3996	OC(=O)c1ccccc1O	0.29	0.0
Compound_3997	Cc1cccc(c1Oc1c(C)cccc1S(=O)(=O)O)S(=O)(=O)O	0.47	0.0
Compound_3998	O=C(c1ccccc1O)O[Si](O)(C)C	0.55	1.0
Compound_3999	O=C1O[Si](C)(C)Oc2c1cccc2	0.51	1.0
Compound_4000	CC(=O)c1ccccc1O	0.88	1.0
Compound_4001	Cc1c(C)cccc1O	0.96	1.0
Compound_4002	OC(=O)c1cccc(c1C)O	0.73	1.0
Compound_4003	Cc1c(N)cccc1O	0.55	1.0
Compound_4004	OC(=O)c1cccc(c1O)C	0.39	0.0
Compound_4005	OC(=O)c1ccc(c(c1)O)C	0.73	1.0
Compound_4006	Nc1ccc(c(c1)O)C	0.55	1.0
Compound_4007	Nc1ccc(c(c1)O)C	0.55	1.0
Compound_4008	OCCNc1ccc(c(c1)O)C	0.18	0.0
Compound_4009	Cc1ccccc1O	0.93	1.0
Compound_4010	Oc1cccc(c1C)O	0.95	1.0
Compound_4011	Cc1cc(O)c(c(c1)C(=O)O)C(=O)O	0.35	0.0
Compound_4012	Cc1cc(C)c(c(c1)C)O	0.98	1.0
Compound_4013	Cc1ccc(c(c1)C)O	0.96	1.0
Compound_4014	OCc1cc(C)cc(c1O)CO	0.61	1.0
Compound_4015	Cc1cc(C)c(c(c1)O)C	0.98	1.0
Compound_4016	Cc1ccc(c(c1)O)C	0.96	1.0
Compound_4017	O=Cc1ccc(cc1O)C	0.88	1.0
Compound_4018	Cc1ccc(c(c1O)C)C	0.98	1.0
Compound_4019	Cc1cccc(c1O)C	0.96	1.0
Compound_4020	CCc1ccccc1O	0.83	1.0
Compound_4021	CCCc1ccccc1O	0.59	1.0
Compound_4022	COc1ccc(cc1C)C	0.74	1.0
Compound_4023	COc1cc(ccc1C)C(=O)O	0.75	1.0
Compound_4024	COc1ccccc1C	0.66	1.0
Compound_4025	O=Cc1ccccc1OC	0.81	1.0
Compound_4026	COc1ccccc1CO	0.67	1.0
Compound_4027	COc1ccc(c(c1OC)OC)C=O	0.64	1.0
Compound_4028	COc1c(OC)cccc1C	0.52	1.0
Compound_4029	COc1cccc(c1O)C=O	0.71	1.0
Compound_4030	COc1cccc(c1C(=O)P(=O)(C(=O)c1c(OC)cccc1OC)CC(CC(C)(C)C)C)OC	0.55	1.0
Compound_4031	COc1cccc(c1C(=O)O)OC	0.75	1.0
Compound_4032	COc1ccccc1C(=O)O	0.84	1.0
Compound_4033	OCCc1ccccc1OC	0.67	1.0
Compound_4034	Nc1ccc(c(c1)O)C(=O)O	0.05	0.0
Compound_4035	Brc1ccc(c(c1)C(=O)O)O	0.39	0.0
Compound_4036	OC(=O)c1c(O)cccc1O	0.33	0.0
Compound_4037	Oc1ccc(c(c1)O)C(=O)O	0.33	0.0
Compound_4038	O=Cc1ccc(cc1O)O	0.63	1.0
Compound_4039	O=Cc1ccc(c(c1O)O)O	0.83	1.0
Compound_4040	O=Cc1ccccc1O	0.81	1.0
Compound_4041	OCc1ccccc1O	0.74	1.0
Compound_4042	CC(=C)C(=O)OCc1c2ccccc2cc2c1cccc2	0.76	1.0
Compound_4043	Cc1c2ccccc2c(c2c1cccc2)C	0.99	1.0
Compound_4044	O=Cc1c2ccccc2cc2c1cccc2	0.88	1.0
Compound_4045	CC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.82	1.0
Compound_4046	CC(=O)c1cccc(c1)C(F)(F)F	0.82	1.0
Compound_4047	COC(=O)c1cccc(c1)C(F)(F)F	0.9	1.0
Compound_4048	N#Cc1cccc(c1)C(F)(F)F	0.75	1.0
Compound_4049	FC(c1cccc(c1)C(F)(F)F)(F)F	0.72	1.0
Compound_4050	N#CCc1cccc(c1)C(F)(F)F	0.59	1.0
Compound_4051	Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.75	1.0
Compound_4052	OC(=O)c1cccc(c1)C(F)(F)F	0.94	1.0
Compound_4053	Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.83	1.0
Compound_4054	c1ccc2c(c1)Nc1ccccc1CC2	0.51	1.0
Compound_4055	Oc1cccc(c1)Nc1ccccc1C	0.57	1.0
Compound_4056	Cc1cc(C)c(c(c1)C)N(c1ccccc1)c1ccccc1	0.71	1.0
Compound_4057	Cc1cccc(c1)N(c1ccccc1C)c1ccc(c(c1)C)C=NN(c1ccccc1)c1ccccc1	0.57	1.0
Compound_4058	CCN=c1cc2oc3cc(ccc3nc2cc1C)Nc1ccccc1C	0.24	0.0
Compound_4059	ClC(=O)N1c2ccccc2CCc2c1cccc2	0.31	0.0
Compound_4060	Clc1ccc2c(c1)Nc1ccccc1CC2	0.54	1.0
Compound_4061	OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F	0.17	0.0
Compound_4062	OC(=O)c1ccccc1Nc1ccccc1	0.15	0.0
Compound_4063	OC(=O)c1ccc(cc1)C(C)(C)C	0.91	1.0
Compound_4064	OC(=O)c1ccc(cc1)C(C)(C)C	0.91	1.0
Compound_4065	OC(=O)c1ccc(cc1)C(C)(C)C	0.91	1.0
Compound_4066	OC(=O)c1ccc(cc1)C(C)(C)C	0.91	1.0
Compound_4067	CC(=O)c1c(C)cc(cc1C)C(C)(C)C	0.96	1.0
Compound_4068	CC(=O)c1ccc(cc1)C(C)(C)C	0.96	1.0
Compound_4069	Oc1cc(ccc1C(C)(C)C)C(C)(C)C	0.99	1.0
Compound_4070	CC(c1cc(O)c(cc1O)C(C)(C)C)(C)C	0.97	1.0
Compound_4071	O=C(C(O)(C)C)c1ccc(cc1)C(C)(C)C	0.81	1.0
Compound_4072	NNC(=O)c1ccc(cc1)C(C)(C)C	0.36	0.0
Compound_4073	C=COC(=O)c1ccc(cc1)C(C)(C)C	0.76	1.0
Compound_4074	O=C1NC(=C2C1C(=NC2=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C	0.26	0.0
Compound_4075	CC(c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1)(C)C	0.55	1.0
Compound_4076	O=Cc1ccc(cc1)C(C)(C)C	0.99	1.0
Compound_4077	N#CCc1ccc(cc1)C(C)(C)C	0.67	1.0
Compound_4078	O=CCCc1ccc(cc1)C(C)(C)C	0.95	1.0
Compound_4079	ClCc1ccc(cc1)C(C)(C)C	0.92	1.0
Compound_4080	O=CC(=Cc1ccc(cc1)C(C)(C)C)C	0.84	1.0
Compound_4081	O=CC(Cc1ccc(cc1)C(C)(C)C)C	0.97	1.0
Compound_4082	OCC(Cc1ccc(cc1)C(C)(C)C)C	0.66	1.0
Compound_4083	CC(CCc1ccc(cc1)C(C)(C)C)O	0.66	1.0
Compound_4084	Cc1cc(O)c(cc1C(C)(C)C)C(C)(C)C	0.99	1.0
Compound_4085	Cc1cc(c(c(c1Cn1c(=O)n(Cc2c(C)cc(c(c2C)O)C(C)(C)C)c(=O)n(c1=O)Cc1c(C)cc(c(c1C)O)C(C)(C)C)C)O)C(C)(C)C	0.16	0.0
Compound_4086	Cc1ccc(c(c1)O)C(C)(C)C	0.99	1.0
Compound_4087	Cc1cc(OP(c2cccc(c2P(Oc2cc(C)c(cc2C(C)(C)C)C(C)(C)C)Oc2cc(C)c(cc2C(C)(C)C)C(C)(C)C)c2ccccc2)Oc2cc(C)c(cc2C(C)(C)C)C(C)(C)C)c(cc1C(C)(C)C)C(C)(C)C	0.88	1.0
Compound_4088	Cc1ccc(c(c1)OP(Oc1cc(C)ccc1C(C)(C)C)Oc1cc(C)ccc1C(C)(C)C)C(C)(C)C	0.94	1.0
Compound_4089	Cc1ccc(cc1)C(C)(C)C	0.98	1.0
Compound_4090	Cc1ccc(cc1C)C(C)(C)C	0.96	1.0
Compound_4091	Cc1ccc2c(c1)CCCC2(C)C	0.83	1.0
Compound_4092	CC1COC(O1)(C)c1ccc2c(c1)C(C)(C)CCC2(C)C	0.66	1.0
Compound_4093	CCC(c1cc(O)c(cc1O)C(CC)(C)C)(C)C	0.89	1.0
Compound_4094	CCC(c1ccc2c(c1)C(=O)c1c(C2=O)cccc1)(C)C	0.86	1.0
Compound_4095	CCCC(c1cc(O)c(cc1O)C(CCC)(C)C)(C)C	0.77	1.0
Compound_4096	CCCCCCOC(=O)CCCC(c1cc(O)c(cc1O)C(CCCC(=O)OCCCCCC)(C)C)(C)C	0.53	1.0
Compound_4097	CCOC(=O)c1ccccc1N=Cc1ccc(cc1)C(C)(C)C	0.46	0.0
Compound_4098	COC(=O)c1ccccc1N=NC(Cc1ccc(cc1)C(C)(C)C)C	0.35	0.0
Compound_4099	COc1cc(C)ccc1C(C)(C)C	0.93	1.0
Compound_4100	COc1ccc(cc1)C(=O)CC(=O)c1ccc(cc1)C(C)(C)C	0.9	1.0
Compound_4101	O=C(c1cccc(c1)C(=O)NC1CC(C)(C)NC(C1)(C)C)NC1CC(C)(C)NC(C1)(C)C	0.35	0.0
Compound_4102	CC1CN1C(=O)c1cccc(c1)C(=O)N1CC1C	0.2	0.0
Compound_4103	CCN(C(=O)c1cccc(c1)C)CC	0.52	1.0
Compound_4104	Cc1cccc(c1)O	0.96	1.0
Compound_4105	Cc1cccc(c1)O	0.96	1.0
Compound_4106	Oc1cccc(c1)C(=O)O	0.84	1.0
Compound_4107	Oc1cccc(c1)C(=O)O	0.84	1.0
Compound_4108	Cc1cc(C)cc(c1)O	0.94	1.0
Compound_4109	Cc1cc(C)cc(c1)O	0.94	1.0
Compound_4110	CC(=O)c1cc(O)cc(c1)O	0.79	1.0
Compound_4111	Oc1ccc(c(c1)C)C	0.96	1.0
Compound_4112	Cc1cc(O)cc(c1)O	0.99	1.0
Compound_4113	Cc1cc(O)cc(c1)O	0.99	1.0
Compound_4114	Cc1cccc(c1)Oc1ccccc1	0.81	1.0
Compound_4115	CCc1cccc(c1)O	0.98	1.0
Compound_4116	CCNCC(c1cccc(c1)O)O	0.09	0.0
Compound_4117	CN=C(Oc1cccc(c1)C)O	0.7	1.0
Compound_4118	COc1cc(C)cc(c1)O	0.78	1.0
Compound_4119	COc1cc(OC)cc(c1)C	0.78	1.0
Compound_4120	COc1ccc(c(c1)C)Br	0.79	1.0
Compound_4121	COc1cccc(c1)C=O	0.79	1.0
Compound_4122	O=Cc1cccc(c1)Oc1ccccc1	0.96	1.0
Compound_4123	Oc1cc(cc(c1)C(=O)O)C(=O)O	0.74	1.0
Compound_4124	Oc1cc(O)cc(c1)C(=O)O	0.57	1.0
Compound_4125	O=Cc1cccc(c1)O	0.97	1.0
Compound_4126	OCc1cccc(c1)Oc1ccccc1	0.97	1.0
Compound_4127	c1coc(c1)CNc1[nH]cnc2c1ncn2	0.21	0.0
Compound_4128	S(Cc1ccco1)Cc1ccco1	0.83	1.0
Compound_4129	S(Cc1ccco1)SCc1ccco1	0.67	1.0
Compound_4130	Cc1ccc(o1)C(=O)C	0.74	1.0
Compound_4131	CC(=O)c1ccco1	0.77	1.0
Compound_4132	CC(=O)c1cc2c(o1)cccc2	0.79	1.0
Compound_4133	CC(=O)Cc1ccco1	0.88	1.0
Compound_4134	CC(=O)OCc1ccco1	0.7	1.0
Compound_4135	CC(=O)Sc1ccoc1C	0.83	1.0
Compound_4136	CC(=O)SCc1ccco1	0.86	1.0
Compound_4137	CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C	0.43	0.0
Compound_4138	CC(COC(=O)CCc1ccco1)C	0.82	1.0
Compound_4139	O=CC(=Cc1ccco1)C	0.77	1.0
Compound_4140	Sc1ccoc1C	0.89	1.0
Compound_4141	Cc1occc1SSc1ccoc1C	0.75	1.0
Compound_4142	Cc1oc(cc1SSc1cc(oc1C)C)C	0.7	1.0
Compound_4143	Cc1ccc(o1)C=O	0.77	1.0
Compound_4144	Cc1ccco1	0.94	1.0
Compound_4145	CCC(=O)OCc1ccco1	0.65	1.0
Compound_4146	CCC(=O)SCc1ccco1	0.83	1.0
Compound_4147	CCc1ccco1	0.94	1.0
Compound_4148	CCCCC(=O)OCc1ccco1	0.92	1.0
Compound_4149	CCCCCc1ccco1	0.82	1.0
Compound_4150	CCCCCCC(=Cc1ccco1)C=O	0.77	1.0
Compound_4151	CCCCCCCc1ccco1	0.89	1.0
Compound_4152	CCCOC(=O)C=Cc1ccco1	0.87	1.0
Compound_4153	CCOC(=O)c1ccco1	0.68	1.0
Compound_4154	CCOC(=O)CCc1ccco1	0.83	1.0
Compound_4155	CCOC(=O)CCSCc1ccco1	0.84	1.0
Compound_4156	COC(=O)c1ccco1	0.61	1.0
Compound_4157	CSC(=O)c1ccco1	0.73	1.0
Compound_4158	CSc1ccoc1C	0.77	1.0
Compound_4159	CSc1ccc(o1)C	0.79	1.0
Compound_4160	CSCc1ccco1	0.87	1.0
Compound_4161	CSSc1ccoc1C	0.68	1.0
Compound_4162	CSSCc1ccco1	0.68	1.0
Compound_4163	NCc1ccco1	0.5	0.0
Compound_4164	O=Cc1ccco1	0.81	1.0
Compound_4165	O=CSCc1ccco1	0.9	1.0
Compound_4166	OC(=O)c1ccco1	0.58	1.0
Compound_4167	OCc1ccc(o1)C=O	0.63	1.0
Compound_4168	OCc1ccco1	0.75	1.0
Compound_4169	ON=C(C(=NO)c1ccco1)c1ccco1	0.46	0.0
Compound_4170	SCc1ccco1	0.86	1.0
Compound_4171	CC(=O)c1ccc(s1)Br	0.86	1.0
Compound_4172	CC(=O)c1cccs1	0.87	1.0
Compound_4173	Sc1ccsc1C	0.9	1.0
Compound_4174	N#Cc1sc(c(c1C)C#N)N	0.65	1.0
Compound_4175	Cc1ccc(s1)Br	0.91	1.0
Compound_4176	Cc1ccc(s1)C=O	0.9	1.0
Compound_4177	Cc1cccs1	0.95	1.0
Compound_4178	CCC(=O)c1cccs1	0.9	1.0
Compound_4179	C1NCc2c(C1)scc2	0.2	0.0
Compound_4180	O=Cc1ccc(s1)N(C)C	0.66	1.0
Compound_4181	COC(=O)c1sccc1S(=O)(=O)N	0.41	0.0
Compound_4182	COC(=O)c1sccc1N	0.59	1.0
Compound_4183	COCCCNc1nc(NCCCOC)c(c(c1N=Nc1sc(c(c1C#N)C)C(=O)OC)C)C#N	0.12	0.0
Compound_4184	O=C(C(F)(F)F)CC(=O)c1cccs1	0.66	1.0
Compound_4185	Clc1cc(NCc2cccs2)c(cc1S(=O)(=O)N)c1nnn[nH]1	0.17	0.0
Compound_4186	O=Cc1cccs1	0.92	1.0
Compound_4187	OC(=O)c1ccc(s1)C(=O)O	0.54	1.0
Compound_4188	OC(=O)c1cccs1	0.73	1.0
Compound_4189	OC(=O)c1cc2c(s1)c1c(s2)cccc1	0.71	1.0
Compound_4190	c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2	0.62	1.0
Compound_4191	CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2	0.09	0.0
Compound_4192	CC(CC(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)CCCC(O)(C)C	0.18	0.0
Compound_4193	Cc1c[nH]c2c1cccc2	0.98	1.0
Compound_4194	OCC(C(C1NC(=O)C2CC(CN2C(=O)C(CC(=O)N)NC(=O)C2CS(=O)c3c(CC(NC1=O)C(=O)NCC(=O)NC(C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)O)O)C)O	0.18	0.0
Compound_4195	CCOc1ccccc1n1ccc(c1C(=O)NCCC(C)C)C#N	0.08	0.0
Compound_4196	COC(=O)C(Cc1c[nH]c2c1cccc2)N	0.1	0.0
Compound_4197	CN(Cc1c[nH]c2c1ccc(c2)C)C	0.09	0.0
Compound_4198	CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCNC(=O)OC(C)(C)C	0.03	0.0
Compound_4199	N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F	0.81	1.0
Compound_4200	OC(=O)C(Cc1c[nH]c2c1cccc2)N	0.05	0.0
Compound_4201	NCCc1c[nH]c2c1cccc2	0.1	0.0
Compound_4202	O=Cc1c[nH]c2c1cccc2	0.64	1.0
Compound_4203	Cc1[nH]c2c(c1CCN1CCCC1)cc(cc2)Cl	0.08	0.0
Compound_4204	OC(=O)Cc1c[nH]c2c1cccc2	0.19	0.0
Compound_4205	CC(=O)c1oc2c(c1C)cccc2	0.78	1.0
Compound_4206	CC(=CCc1occc1C)C	0.63	1.0
Compound_4207	Cc1c(C)oc2c1cccc2	0.93	1.0
Compound_4208	CC1CCc2c(C1)occ2C	0.72	1.0
Compound_4209	OC(=O)c1oc(c(c1C(=O)O)C(=O)O)C(=O)O	0.34	0.0
Compound_4210	O=C1CN(CC2N1CCc1c2cccc1)C(=O)C	0.07	0.0
Compound_4211	COc1cc2c(cc1OC)CCN(C2CCc1ccccc1N(=O)=O)C	0.2	0.0
Compound_4212	CC12NC(c3c2cccc3)Cc2c1cccc2	0.34	0.0
Compound_4213	O=C1C(=Nc2c1cc(cc2)S(=O)(=O)O)C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O	0.55	1.0
Compound_4214	O=C1CC(C(=O)c2c1cccc2)S(=O)(=O)O	0.5	0.0
Compound_4215	Brc1ccc2c(c1)C(=O)C(N2)C1=Nc2c(C1=O)cccc2	0.23	0.0
Compound_4216	Brc1cc(Br)c2c(c1)C(=O)C(N2)C1=Nc2c(C1=O)cc(cc2Br)Br	0.23	0.0
Compound_4217	Brc1ccc2c(c1)C(=O)C(=N2)C1Nc2c(C1=O)cc(cc2)Br	0.23	0.0
Compound_4218	C=CCCC(=O)c1ccccc1	0.81	1.0
Compound_4219	O=C(c1ccccc1)C(=O)C	0.62	1.0
Compound_4220	OCCOc1ccc(cc1)C(=O)C(O)(C)C	0.73	1.0
Compound_4221	O=C(C(O)(C)C)c1ccccc1	0.81	1.0
Compound_4222	CC(C(=O)c1ccccc1)C	0.89	1.0
Compound_4223	O=C1CCCc2c1c(C)ccc2	0.75	1.0
Compound_4224	O=C1CCCc2c1cccc2C	0.66	1.0
Compound_4225	Cc1ccc2c(c1)CCCC2=O	0.75	1.0
Compound_4226	Cc1ccc2c(c1)C(=O)CCC2	0.85	1.0
Compound_4227	CCC(=O)c1cc(C)ccc1O	0.86	1.0
Compound_4228	CCC(=O)c1ccc(cc1)Cl	0.88	1.0
Compound_4229	CCC(=O)c1ccc(cc1)O	0.96	1.0
Compound_4230	CCC(=O)c1ccc(cc1)OC	0.81	1.0
Compound_4231	CCC(=O)c1ccccc1	0.92	1.0
Compound_4232	CCC(=O)c1ccccc1O	0.85	1.0
Compound_4233	CCC(=O)Oc1cc(Cl)ccc1C(=O)CC	0.64	1.0
Compound_4234	CCCC(=O)c1ccc(cc1)O	0.98	1.0
Compound_4235	CCCC(=O)c1ccccc1	0.88	1.0
Compound_4236	CCCCC(=O)c1ccc(cc1)Cl	0.83	1.0
Compound_4237	CCCCC(=O)c1ccc(cc1)O	0.97	1.0
Compound_4238	CCCCC(=O)c1ccccc1	0.76	1.0
Compound_4239	O=C(c1ccc(cc1)C)CCC(=O)O	0.32	0.0
Compound_4240	Brc1ccc2c(c1)C(=O)C(=N2)C1Sc2c(C1=O)ccc1c2c(Cl)ccc1	0.37	0.0
Compound_4241	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)C1CC1	0.24	0.0
Compound_4242	CSc1ccc(cc1)C(=O)C(N1CCOCC1)(C)C	0.66	1.0
Compound_4243	O=C1C(=Nc2c1cccc2)C1Nc2c(C1=O)cccc2	0.24	0.0
Compound_4244	O=C1CCCCc2c1cccc2	0.79	1.0
Compound_4245	O=C1CCCc2c1cccc2O	0.81	1.0
Compound_4246	CC(=O)CC(C1C(=O)Oc2c(C1=O)cccc2)c1ccccc1	0.65	1.0
Compound_4247	CCC(C(c1ccccc1)(CC)C)(c1ccccc1)C	0.78	1.0
Compound_4248	Brc1ccc(cc1)c1ccc(cc1)C(CC(C1C(=O)Oc2c(C1=O)cccc2)c1ccccc1)O	0.48	0.0
Compound_4249	O=C1Oc2ccccc2C(=O)C1C1CCCc2c1cccc2	0.75	1.0
Compound_4250	OC(CC(CC(=O)O)O)C=Cc1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C	0.09	0.0
Compound_4251	C#CCC1=C(C)C(CC1=O)O	0.3	0.0
Compound_4252	C=C1C(O)CC2CC1C2(C)C	0.37	0.0
Compound_4253	OCC(C1OC(=O)C(=C1O)OP(=O)(O)O)O	0.47	0.0
Compound_4254	OCC(C1OC(=O)C(=C1O)OP(=O)(O)O)O	0.47	0.0
Compound_4255	OCC(C1OC(=O)C(=C1O)OP(=O)(O)O)O	0.47	0.0
Compound_4256	OCC(C1OC(=O)C(=C1O)OS(=O)(=O)O)O	0.42	0.0
Compound_4257	CC(=C)C1CC=C(C(C1)O)C	0.39	0.0
Compound_4258	CC(=C)C1CC=C(C(C1)O)C	0.39	0.0
Compound_4259	CC(=C)C1CC=C(C(C1)O)C	0.39	0.0
Compound_4260	CC(=C)C1CCC(C=C1)(C)O	0.39	0.0
Compound_4261	CC(=CC1OCC=C(C1)C)C	0.62	1.0
Compound_4262	C=CC(CCC=C(C)C)(O)C	0.45	0.0
Compound_4263	C=CC(CCC=C(C)C)(O)C	0.45	0.0
Compound_4264	C=CC(CCC=C(C)C)(O)C	0.45	0.0
Compound_4265	C=CC(CCC=C(CCC=C(C)C)C)(O)C	0.43	0.0
Compound_4266	C=CC(CCC=C(CCC=C(C)C)C)(O)C	0.43	0.0
Compound_4267	C=CC(CCC=C(CCC=C(C)C)C)(O)C	0.43	0.0
Compound_4268	C=CC(CCC=C(CCC=C(CCC=C(C)C)C)C)(O)C	0.43	0.0
Compound_4269	C=CC(OC(=O)c1ccccc1)(CCC=C(C)C)C	0.69	1.0
Compound_4270	C=CC(OC(=O)c1ccccc1N)(CCC=C(C)C)C	0.35	0.0
Compound_4271	C=CC(OC(=O)C)(CCC=C(C)C)C	0.76	1.0
Compound_4272	O=COC(CCC=C(C)C)(C=C)C	0.76	1.0
Compound_4273	C=CCC(C=C(CCC=C(C)C)C)O	0.41	0.0
Compound_4274	C=CC(OC(=O)C)(CCC=C(CCC=C(C)C)C)C	0.78	1.0
Compound_4275	C=CC(CCCC(C)C)(O)C	0.4	0.0
Compound_4276	C=CC(OC(=O)C)(CCCC(C)C)C	0.74	1.0
Compound_4277	CC(CCO)CCC(C(=C)C)O	0.54	1.0
Compound_4278	CCC(=CCCC(C=C)(O)C)C	0.55	1.0
Compound_4279	C=CCC1=C(C)C(CC1=O)O	0.3	0.0
Compound_4280	CC1=CC(O)CC(C1)(C)C	0.31	0.0
Compound_4281	CC1=CCC(CC1O)C(O)(C)C	0.31	0.0
Compound_4282	CCC(=CCCC(OC(=O)C)(C=C)C)C	0.77	1.0
Compound_4283	CCC(C(=CC1(C)CC2CC1C=C2)C)O	0.59	1.0
Compound_4284	CCC(C=C)O	0.54	1.0
Compound_4285	CCCC(C=C)O	0.54	1.0
Compound_4286	CCCC(OC(=O)C)C=C	0.77	1.0
Compound_4287	CCCCC(C=CC)O	0.54	1.0
Compound_4288	CCCCCC(C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O)O	0.1	0.0
Compound_4289	CCCCCC(C(=CCC)C)O	0.54	1.0
Compound_4290	CCCCCC(C=C)O	0.57	1.0
Compound_4291	CCCCCC(OC(=O)C)C=C	0.81	1.0
Compound_4292	CCCCCCC(C=C)O	0.52	1.0
Compound_4293	CCOC(OC(CCC=C(C)C)(C=C)C)C	0.7	1.0
Compound_4294	CCOC(OC(CCCC(C)C)(C=C)C)C	0.73	1.0
Compound_4295	COC(=O)C1OC1(C)C=CC1C(=CCCC1(C)C)C	0.51	1.0
Compound_4296	OC1CC(=CC(C1O)O)C(=O)O	0.47	0.0
Compound_4297	C=CCCCC(C=C)O	0.45	0.0
Compound_4298	OC1CCCC1=C1CCCC1	0.44	0.0
Compound_4299	CCCCCCC=CC(C(=O)O)CC(=O)O	0.4	0.0
Compound_4300	C=CCCCCCC=CCC=CCC=CCC	0.9	1.0
Compound_4301	CCCCCCC=CCC(=O)O	0.62	1.0
Compound_4302	c1ccc(cc1)CCCc1ccccn1	0.72	1.0
Compound_4303	N1CCC(=CC1)c1ccccn1	0.12	0.0
Compound_4304	N1CCC(CC1)c1ccccn1	0.09	0.0
Compound_4305	c1cnc2c(c1)CCC2	0.68	1.0
Compound_4306	C1CCc2c(C1)nccc2	0.7	1.0
Compound_4307	C1CCC(CN1)c1ccccn1	0.08	0.0
Compound_4308	OC(=O)c1cccnc1C(=O)C	0.36	0.0
Compound_4309	CC(=O)c1ccccn1	0.74	1.0
Compound_4310	CC(CC(C)(C)C)Cc1cc(C)cc(=O)n1O	0.43	0.0
Compound_4311	CC(C(=O)c1ncccc1SCc1ccccc1)F	0.48	0.0
Compound_4312	CCC(c1ccccn1)CC	0.72	1.0
Compound_4313	OCCc1ccc(cn1)CC	0.42	0.0
Compound_4314	CCc1ccccn1	0.69	1.0
Compound_4315	CCCCCc1ccccn1	0.44	0.0
Compound_4316	CCCCCCc1ccccn1	0.46	0.0
Compound_4317	OCCc1ccccn1	0.41	0.0
Compound_4318	OCCCc1ccccn1	0.4	0.0
Compound_4319	C1Cc2ccc(cc2)CCc2ccc1cc2	0.99	1.0
Compound_4320	Cc1ccc(c(c1)C)C(=O)C	0.86	1.0
Compound_4321	Cc1ccc(cc1)C(=O)C	0.87	1.0
Compound_4322	CC(=O)c1ccc2c(c1)CCCC2	0.88	1.0
Compound_4323	Cc1ccc(cc1)C(O)C	0.73	1.0
Compound_4324	CC(=O)OC(c1ccc(cc1)C)C	0.79	1.0
Compound_4325	Cc1ccc(cc1C)CCc1ccc(c(c1)C)C	0.94	1.0
Compound_4326	O=CCc1ccc(cc1C)C	0.82	1.0
Compound_4327	OCCOc1cc(C)cc(c1CCc1ccccc1)CCc1ccccc1	0.69	1.0
Compound_4328	N#CCc1ccc(cc1)C	0.66	1.0
Compound_4329	Cc1ccc(cc1)CC(O)(C)C	0.7	1.0
Compound_4330	O=CCc1ccc(cc1)C	0.92	1.0
Compound_4331	O=CCc1ccc(c(c1)C)C	0.87	1.0
Compound_4332	OCCc1ccc(cc1)C	0.73	1.0
Compound_4333	OCC1(C)Cc2c(C1)ccc(c2)C	0.62	1.0
Compound_4334	CCc1cc(CC)ccc1C(=O)C	0.74	1.0
Compound_4335	CCc1ccc(cc1)C	0.97	1.0
Compound_4336	CCc1ccc(cc1)C#C	0.89	1.0
Compound_4337	CCc1ccc(cc1)C#Cc1ccc(cc1)C	0.79	1.0
Compound_4338	CCc1ccc(cc1)C#Cc1ccc(cc1)OC	0.72	1.0
Compound_4339	CCc1ccc(cc1)C(=O)O	0.83	1.0
Compound_4340	CCc1ccc(cc1)C=O	0.92	1.0
Compound_4341	CCc1ccc(cc1)CC(C#N)(C)C	0.84	1.0
Compound_4342	CCc1ccc(cc1)CC	0.97	1.0
Compound_4343	CCc1ccc(cc1)CC=O	0.94	1.0
Compound_4344	CCCc1ccc(cc1)C#C	0.73	1.0
Compound_4345	CCCc1ccc(cc1)C#Cc1ccc(cc1)C	0.83	1.0
Compound_4346	CCCc1ccc(cc1)C#Cc1ccc(cc1)CC	0.83	1.0
Compound_4347	CCCc1ccc(cc1)C#Cc1ccc(cc1)OC	0.71	1.0
Compound_4348	CCCc1ccc(cc1)C#Cc1ccc(cc1)OCC	0.81	1.0
Compound_4349	CCCc1ccc(cc1)C(=O)C	0.85	1.0
Compound_4350	CCCc1ccc(cc1)C(=O)O	0.76	1.0
Compound_4351	CCCc1ccc(cc1)CCC	0.82	1.0
Compound_4352	CCCCc1ccc(cc1)C#Cc1ccc(cc1)CCCC	0.71	1.0
Compound_4353	CCCCc1ccc(cc1)C#Cc1ccc(cc1)OC	0.67	1.0
Compound_4354	CCCCc1ccc(cc1)C#Cc1ccc(cc1)OCC	0.77	1.0
Compound_4355	CCCCc1ccc(cc1)C(=O)C	0.71	1.0
Compound_4356	CCCCc1ccc(cc1)C(=O)O	0.72	1.0
Compound_4357	CCCCCc1ccc(cc1)C#Cc1ccc(cc1)OC	0.56	1.0
Compound_4358	CCCCCc1ccc(cc1)C#Cc1ccc(cc1)OCC	0.69	1.0
Compound_4359	CCCCCc1ccc(cc1)C(=O)C	0.65	1.0
Compound_4360	CCCCCc1ccc(cc1)C(=O)O	0.74	1.0
Compound_4361	CCCCCCc1ccc(cc1)C#Cc1ccc(cc1)C	0.74	1.0
Compound_4362	CCCCCCc1ccc(cc1)C#Cc1ccc(cc1)CC	0.74	1.0
Compound_4363	CCCCCCc1ccc(cc1)C(=O)O	0.77	1.0
Compound_4364	CCCCCCCc1ccc(cc1)C(=O)O	0.77	1.0
Compound_4365	CCOC(c1ccc(cc1C)C)(OCC)C	0.81	1.0
Compound_4366	ClCc1ccc(cc1)CC[Si](OC)(OC)OC	0.74	1.0
Compound_4367	NCCNCc1ccc(cc1)CC[Si](OC)(OC)OC	0.2	0.0
Compound_4368	CO[Si](CCCOC(=O)CCNCCNCc1ccc(cc1)CC[Si](OC)(OC)OC)(OC)OC	0.25	0.0
Compound_4369	O=C(C(=O)c1ccccc1)c1ccc(cc1)C(=O)C(=O)c1ccccc1	0.57	1.0
Compound_4370	OC(=O)c1ccc2c3c1cccc3CC2	0.75	1.0
Compound_4371	CC(CCc1ccc(cc1)O)O	0.76	1.0
Compound_4372	CCCCc1ccc(c(c1CCCC)CCCC)O	0.42	0.0
Compound_4373	CCCCc1ccc(cc1)O	0.97	1.0
Compound_4374	Oc1ccc2c(c1)CCCC2	0.93	1.0
Compound_4375	CCCCCCCCCc1ccc(cc1)O	0.91	1.0
Compound_4376	CCCCCCCCCc1ccc(cc1)O	0.91	1.0
Compound_4377	CCCCCCCCc1ccc(cc1)O	0.91	1.0
Compound_4378	CCCCCc1ccc(cc1)O	0.87	1.0
Compound_4379	CCCCCCc1ccc(cc1O)O	0.84	1.0
Compound_4380	CCCCCCCc1ccc(cc1)O	0.91	1.0
Compound_4381	CCCCCCCCc1ccc(c(c1)CCCCCCCC)O	0.15	0.0
Compound_4382	CCCCCCCCCc1ccc(c(c1)C)O	0.1	0.0
Compound_4383	CCCCCCCCCc1ccc(c(c1)C=O)O	0.72	1.0
Compound_4384	CCCCCCCCCc1ccc(c(c1)CCCCCCCCC)O	0.15	0.0
Compound_4385	CCCCCCCCCc1ccc(cc1OP(=O)(Oc1ccc(cc1)CCCCCCCC)O)CCCCCCCCC	0.67	1.0
Compound_4386	CCCCCCCCCc1ccc(cc1)OCC(=O)O	0.99	1.0
Compound_4387	CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccc(cc1)CCCCCCCCC)Oc1ccc(cc1)CCCCCCCCC	0.76	1.0
Compound_4388	CCCCCCCCCc1ccc(cc1)OP(=O)Oc1ccc(cc1)CCCCCCCCC	0.68	1.0
Compound_4389	CCCCCCCCCc1ccc(cc1)OP(Oc1ccc(cc1CCCCCCCCC)CCCCCCCCC)Oc1ccc(cc1)CCCCCCCCC	0.68	1.0
Compound_4390	CCCCCCCCCc1ccc(cc1)OP(Oc1ccc(cc1)CCCCCCCCC)Oc1ccc(cc1)CCCCCCCCC	0.71	1.0
Compound_4391	CCCCCCCCCc1ccc(cc1)OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1)CCCCCCCCC	0.68	1.0
Compound_4392	COc1cc(ccc1O)C1OCCC(=C)C1	0.56	1.0
Compound_4393	CC(CCCCCc1ccccc1O)C	0.64	1.0
Compound_4394	CC(CC(CC(S)(C)C)(C)C)(C)C	0.57	1.0
Compound_4395	ON=CC1=CCC(CC1)C(=C)C	0.47	0.0
Compound_4396	CCCCCCCS(=O)(=O)O	0.58	1.0
Compound_4397	C#CC1=CCCCC1	0.83	1.0
Compound_4398	C=CC1CC2CC1C=C2	0.94	1.0
Compound_4399	C=CCCCCCC=O	0.78	1.0
Compound_4400	C1CCCCCC1	0.95	1.0
Compound_4401	CC1=CCC(CC1)C(=C)C	0.62	1.0
Compound_4402	CC1=CCC(CC1)C(=C)C	0.62	1.0
Compound_4403	CC1=CCC(CC1)C(=C)C	0.62	1.0
Compound_4404	CC1=CCC(CC1)C(=C)C	0.62	1.0
Compound_4405	CC1=CCC(CC1)(C)C(=O)C	0.56	1.0
Compound_4406	CC1=CCCC(=CCC=C(C(CC1)C(=O)C)C)C	0.57	1.0
Compound_4407	CC(=O)C1CCCC1=O	0.63	1.0
Compound_4408	ON1C(C)(C)CC(CC1(C)C)NC(=O)C	0.36	0.0
Compound_4409	CC(C(=C)C(C(C)(C)C)C)C(=O)C	0.82	1.0
Compound_4410	C=C(CC(C)(C)C)CC(C)(C)C	0.65	1.0
Compound_4411	CC1=CCC(=C(C)C)CC1	0.53	1.0
Compound_4412	CC(=CCC=C(C1CCC(=CC1)C)C)C	0.5	0.0
Compound_4413	CC(=CCCC(=C1CCC(=CC1)C)C)C	0.5	0.0
Compound_4414	C=CC1(C)C=CC(CC1C(=C)C)C(C)C	0.81	1.0
Compound_4415	CC1=CCC(CC1)C(C)C	0.53	1.0
Compound_4416	CC(CC(=O)CC(=O)C)C	0.71	1.0
Compound_4417	CC(CC(=O)CC(C)C)C	0.77	1.0
Compound_4418	CC(CC(CC(=O)C)C)C	0.77	1.0
Compound_4419	OC(CC(C)C)CC(C)C	0.47	0.0
Compound_4420	CC(CCCC(=CCCC(=O)C)C)C	0.7	1.0
Compound_4421	C=CC(C1C=CCC(C1)(C)C=O)C	0.74	1.0
Compound_4422	O=CC(C=CC1C(=CCCC1(C)C)C)C	0.66	1.0
Compound_4423	CC(CC(C)(C)C)CC(C)(C)C	0.76	1.0
Compound_4424	O=CC(CC=C(CCCC(=C)C)C)C	0.71	1.0
Compound_4425	CC(C=CC1C(=CCCC1(C)C)C)O	0.38	0.0
Compound_4426	CCCCC(CN)CC	0.5	0.0
Compound_4427	CCCCC(CN)CC	0.5	0.0
Compound_4428	O=C1CC(C)(C)NC(C1)(C)C	0.26	0.0
Compound_4429	ON1C(C)(C)CC(=O)CC1(C)C	0.39	0.0
Compound_4430	O=C1N2CN(CN3C2C2N1CN(CN2C3=O)C1CC(C)(C)NC(C1)(C)C)C1CC(C)(C)NC(C1)(C)C	0.17	0.0
Compound_4431	Clc1nc(NC2CC(C)(C)NC(C2)(C)C)nc(n1)NC1CC(C)(C)NC(C1)(C)C	0.47	0.0
Compound_4432	NC1CC(C)(C)NC(C1)(C)C	0.28	0.0
Compound_4433	ON1C(C)(C)CCCC1(C)C	0.33	0.0
Compound_4434	CC1=CCC2CC1C2(C)C	0.75	1.0
Compound_4435	CC1=CCC2CC1C2(C)C	0.75	1.0
Compound_4436	CC1=CCC2CC1C2(C)C	0.75	1.0
Compound_4437	CC1=CCC(CC1)C(S)(C)C	0.6	1.0
Compound_4438	CC1=CCC2CC1SC2(C)C	0.75	1.0
Compound_4439	CC1=CC(C)C(C(C1)C(=O)C)C	0.56	1.0
Compound_4440	CC1C=C(C)CCC1C=O	0.66	1.0
Compound_4441	CC1CC(=O)C(=O)C1C	0.55	1.0
Compound_4442	CC1CC(=O)C(=O)C1C	0.55	1.0
Compound_4443	O=CC1C(C)CC(=CC1C)C	0.59	1.0
Compound_4444	O=CC1CC(C)C=C(C1)C	0.66	1.0
Compound_4445	O=CC1CC(=CCC1C)C	0.75	1.0
Compound_4446	CCC(=O)CCC(C)C	0.78	1.0
Compound_4447	CCC(CC(=O)CC)C	0.82	1.0
Compound_4448	CCC(CC(=NO)CC)C	0.46	0.0
Compound_4449	CCC1CCC(=O)C1=O	0.58	1.0
Compound_4450	CCC1CCCC1	0.92	1.0
Compound_4451	CCCC(=O)CCC	0.92	1.0
Compound_4452	CCCC(CCC)(O)C	0.59	1.0
Compound_4453	CCCC(CC(C)C)C	0.75	1.0
Compound_4454	CCCC(CCC)C	0.88	1.0
Compound_4455	CCCC(CCC)O	0.63	1.0
Compound_4456	CCCCC(=C)CC	0.78	1.0
Compound_4457	CCCCC(=O)CC	0.91	1.0
Compound_4458	CCCCC(CC)C	0.88	1.0
Compound_4459	CCCCC(C=O)CC	0.89	1.0
Compound_4460	CCCCC(CP(CCCC)CCCC)CC	0.88	1.0
Compound_4461	CCCCCC(CSSc1nnc(s1)SSCC(CCCCC)(C)C)(C)C	0.42	0.0
Compound_4462	CCCCCC(=O)C	0.92	1.0
Compound_4463	CCCCCC(C)C	0.75	1.0
Compound_4464	CCCCCCC=CCO	0.84	1.0
Compound_4465	CCCCCCC=CCO	0.84	1.0
Compound_4466	CCCCCCC	0.98	1.0
Compound_4467	CCCCCCC=C	0.89	1.0
Compound_4468	CCCCCCC=O	0.98	1.0
Compound_4469	CCCCCCCBr	0.95	1.0
Compound_4470	CCCCCCCc1nnc(o1)S	0.31	0.0
Compound_4471	CCCCCCCN	0.46	0.0
Compound_4472	O=C1CCCCCC1	0.8	1.0
Compound_4473	ON=C1CCCCCC1=NO	0.4	0.0
Compound_4474	CCCCCCCC[N+](CCCCCCCC)(C)C	0.72	1.0
Compound_4475	CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C	0.75	1.0
Compound_4476	CCCCCCCCC=CCCCCCCCC[N+](CCCCCCCCC=CCCCCCCCC)(C)C	0.71	1.0
Compound_4477	CCCCCCCC[N+](CCO)(C)C	0.39	0.0
Compound_4478	CCCCCCCC[N+](CC(=O)[O-])(C)C	0.38	0.0
Compound_4479	CCCCCCCCC=CCCCCCCCC[N+](CC(=O)[O-])(C)C	0.38	0.0
Compound_4480	CCCCCCCC[N+](CC)(C)C	0.72	1.0
Compound_4481	CCCCCCCCC=CCCCCCCCC(=O)NCC[N+]1(CC)CCN=C1CCCCCCCC=CCCCCCCCC	0.2	0.0
Compound_4482	CCCCCCCCC=CCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCC=CCCCCCCCC	0.22	0.0
Compound_4483	C[N+](CCCNS(=O)(=O)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)(C)C	0.31	0.0
Compound_4484	C[N+](CCCNS(=O)(=O)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)(C)C	0.31	0.0
Compound_4485	C[N+](CCCNS(=O)(=O)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)(C)C	0.31	0.0
Compound_4486	C[N+](CCCNS(=O)(=O)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)(C)C	0.31	0.0
Compound_4487	CCCCCCCCP(CCCCCCCC)(CCCCCCCC)CC	0.91	1.0
Compound_4488	CCCCCC(C(=O)O)(CC)C	0.71	1.0
Compound_4489	CCCCCC(C(=O)O)(CC)C	0.71	1.0
Compound_4490	CCCCCC(C(=O)O)(CC)C	0.71	1.0
Compound_4491	CCCCCCCCP(=O)(OCC)O	0.72	1.0
Compound_4492	CN(=O)(CCCNS(=O)(=O)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)C	0.3	0.0
Compound_4493	CN(=O)(CCCNS(=O)(=O)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)C	0.3	0.0
Compound_4494	OC(=O)CCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.7	1.0
Compound_4495	OC(=O)CCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.7	1.0
Compound_4496	CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)O	0.51	1.0
Compound_4497	CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)O	0.51	1.0
Compound_4498	CCCCCCCCS(=O)(=O)O	0.58	1.0
Compound_4499	Oc1ccccc1CCCCCCCCCS(=O)(=O)O	0.65	1.0
Compound_4500	OS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.72	1.0
Compound_4501	OS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.72	1.0
Compound_4502	BrC1CCC(Br)C(CCC1Br)Br	0.99	1.0
Compound_4503	O=S(=O)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCCCN(=O)(C)C	0.32	0.0
Compound_4504	[O-]C(=O)C[N+](CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C	0.22	0.0
Compound_4505	C=CCCCCCCCC=CCC#N	0.67	1.0
Compound_4506	C=CCCCCCCCC=CCC#N	0.67	1.0
Compound_4507	C=CCCCCCCCC=CCC#N	0.67	1.0
Compound_4508	C=CCCCCCCC=C	0.87	1.0
Compound_4509	C=CCCCCCCC=O	0.78	1.0
Compound_4510	C=CCCCCCCCC=O	0.78	1.0
Compound_4511	C1=CC2C(C1)C1C=CC2C1	0.86	1.0
Compound_4512	C1CC2CCCC(C1)P2	0.85	1.0
Compound_4513	C1CCC2PC(C1)CC2	0.83	1.0
Compound_4514	C1CCCC=CCC1	0.92	1.0
Compound_4515	C1CCCC=CCC1	0.92	1.0
Compound_4516	C1CCCCCCC1	0.95	1.0
Compound_4517	CC(=NO)C1CC2CC1C=C2	0.48	0.0
Compound_4518	CC(=O)C1CC2C(C=C1C)C2(C)C	0.72	1.0
Compound_4519	CC1=CCC(C)(C)C=CCC(=C)C(CC1)C(=O)C	0.54	1.0
Compound_4520	CC(=O)CCC1C(=CCCC1(C)C)C	0.57	1.0
Compound_4521	O=CC(CC1=CCC2CC1C2(C)C)(C)C	0.69	1.0
Compound_4522	O=CC1(C)CCC(=CC1)CCC=C(C)C	0.59	1.0
Compound_4523	N#CC1CCC(=CC1)CCC=C(C)C	0.62	1.0
Compound_4524	O=CC1CCC(=CC1)CCC=C(C)C	0.62	1.0
Compound_4525	O=CC1(C)CCC=C(C1)CCC=C(C)C	0.59	1.0
Compound_4526	N#CC1CCC=C(C1)CCC=C(C)C	0.62	1.0
Compound_4527	O=CC1CCC=C(C1)CCC=C(C)C	0.62	1.0
Compound_4528	CC(=O)OCC1CCC=C(C1)CCC=C(C)C	0.76	1.0
Compound_4529	O=CC1(CCCC1)C(=C)C(C)C	0.71	1.0
Compound_4530	OC(=O)C1CCC(=CC1)C(C)C	0.59	1.0
Compound_4531	CC(CC(CC(=O)CC(C)C)C)C	0.7	1.0
Compound_4532	CC(CC(CC(CC(C)C)O)C)C	0.43	0.0
Compound_4533	N#CCC(CCCC(C)C)C	0.56	1.0
Compound_4534	O=CCC(CCCC(C)C)C	0.75	1.0
Compound_4535	O=CCCCCCCC(C)C	0.8	1.0
Compound_4536	O=CC(CC(=C)C1CC=C(C1(C)C)C)C	0.66	1.0
Compound_4537	CC(CC(CC(C)(C)C)(C)C)CC(C)(C)C	0.74	1.0
Compound_4538	O=CCC(C1CCC(=CC1)C)C	0.7	1.0
Compound_4539	O=CC(CCC1CC=C(C1(C)C)C)C	0.65	1.0
Compound_4540	O=CCC(CCCC(O)(C)C)C	0.42	0.0
Compound_4541	O=CC(CCCC(CCC=C(C)C)C)C	0.63	1.0
Compound_4542	O=CCCCCCC(C=O)C	0.78	1.0
Compound_4543	O=CCCCCCCCC=CC	0.84	1.0
Compound_4544	O=CCCC1=CCC2CC1C2(C)C	0.65	1.0
Compound_4545	O=CCC1=C(C)CCCC1(C)C	0.6	1.0
Compound_4546	OCC1CC2C(C=C1C)C2(C)C	0.46	0.0
Compound_4547	CC1=CCC2C(C1)C2(C)C	0.57	1.0
Compound_4548	CC1=CC(C(CC1)C(=O)C(C)(C)C)C	0.68	1.0
Compound_4549	CC(=CCCC1=CCC(C(C1)C)(C)C(=O)C)C	0.55	1.0
Compound_4550	CC(=CCCC1=CCC(C(C1)(C)C(=O)C)C)C	0.55	1.0
Compound_4551	CC1CCC(=CC1)C(O)(C)C	0.44	0.0
Compound_4552	CCC(=O)C(C(=O)C(CC=C(C)C)C)C	0.6	1.0
Compound_4553	CCC(=O)C1CC(CC=C1C)C(C)C	0.62	1.0
Compound_4554	CCC(=O)C1CC(=CCC1C)CCC=C(C)C	0.62	1.0
Compound_4555	CCC(OC(=O)C)(CCCC(C)C)C	0.75	1.0
Compound_4556	CCC(CCCC(C)C)(O)C	0.48	0.0
Compound_4557	CCC(CCCC(O)(C)C)C	0.48	0.0
Compound_4558	CCC(CCCC(OC(=O)C)(C)C)C	0.75	1.0
Compound_4559	CCC(CC(CCC=C(C)C)C)O	0.56	1.0
Compound_4560	CCC=CCCCCCCC=O	0.86	1.0
Compound_4561	CCCC1C2C=CC(C1C=O)C2	0.81	1.0
Compound_4562	CCCCC(=C)CCCC	0.79	1.0
Compound_4563	CCCCC(=O)CCCC	0.89	1.0
Compound_4564	CCCCC(CCC(=O)C)CC	0.83	1.0
Compound_4565	CCCCC(CCC(C=O)C)CC	0.84	1.0
Compound_4566	CCCCC(CCC=O)CC	0.92	1.0
Compound_4567	CCCCCC(=O)C(=O)C	0.79	1.0
Compound_4568	CCCCCC(=O)C(C(=O)C)C	0.72	1.0
Compound_4569	CCCCCC(=O)CC	0.91	1.0
Compound_4570	CCCCCC(C(=O)OOC(CC(C)(C)C)(C)C)(CC)C	0.76	1.0
Compound_4571	CCCCCC(CC)(O)C	0.51	1.0
Compound_4572	CCCCCC(OC(=O)C)CC	0.79	1.0
Compound_4573	CCCCCC(CCC)C#N	0.86	1.0
Compound_4574	CCCCCC(CCC)CO	0.93	1.0
Compound_4575	CCCCCC(CC)O	0.64	1.0
Compound_4576	CCCCCC(CCC)O	0.64	1.0
Compound_4577	CCCCCCC(=C)CC	0.78	1.0
Compound_4578	CCCCCCC(=O)CC	0.91	1.0
Compound_4579	CCCCCCC(SSSC(CCCCCC)(C)C)(C)C	0.7	1.0
Compound_4580	CCCCCCC(SSSSSC(CCCCCC)(C)C)(C)C	0.7	1.0
Compound_4581	CCCCCCC(=O)C	0.91	1.0
Compound_4582	CCCCCCC(C=O)C	0.89	1.0
Compound_4583	CCCCCCC(N)C	0.28	0.0
Compound_4584	CCCCCCC(O)C	0.64	1.0
Compound_4585	CCCCCCC(O)C	0.64	1.0
Compound_4586	CCCCCCC(CC)O	0.64	1.0
Compound_4587	CCCCCCCC=CCCC=O	0.92	1.0
Compound_4588	CCCCCCCC=CCCC=O	0.92	1.0
Compound_4589	CCCCCCCC	0.98	1.0
Compound_4590	CCCCCCCC#N	0.73	1.0
Compound_4591	CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC	0.76	1.0
Compound_4592	CCCCCCCC(=O)C	0.91	1.0
Compound_4593	CCCCCCCC(=O)Cl	0.92	1.0
Compound_4594	CCCCCCCC[P+](=O)CCCCCCCC	0.85	1.0
Compound_4595	CCCCCCCC[Si](Cl)(C)C	0.86	1.0
Compound_4596	CCCCCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.79	1.0
Compound_4597	CCCCCCCC[Si](Cl)(Cl)Cl	0.86	1.0
Compound_4598	CCCCCCCC[Si](OC)(OC)OC	0.73	1.0
Compound_4599	CCCCCCCC[Si](O[Si](=O)O[Si](C)(C)C)(OCC)OCC	0.75	1.0
Compound_4600	CCCCCCCC[Si](OCC)(OCC)OCC	0.83	1.0
Compound_4601	CCCCCCCCC=CCC=O	0.92	1.0
Compound_4602	CCCCCCCCC=CCC=O	0.92	1.0
Compound_4603	CCCCCCCCC=CCCCCCCCC(=O)Cl	0.87	1.0
Compound_4604	CCCCCCCC=C	0.89	1.0
Compound_4605	CCCCCCCC=CCO	0.84	1.0
Compound_4606	CCCCCCCC=CCOC(=O)C	0.88	1.0
Compound_4607	CCCCCCCC=Nc1ccccc1C(=O)OC	0.47	0.0
Compound_4608	CCCCCCCC=O	0.98	1.0
Compound_4609	CCCCCCCCBr	0.95	1.0
Compound_4610	CCCCCCCCC	0.98	1.0
Compound_4611	CCCCCCCCC(=O)Cl	0.92	1.0
Compound_4612	CCCCCCCCC[Si](Cl)(Cl)Cl	0.86	1.0
Compound_4613	CCCCCCCCC=C	0.89	1.0
Compound_4614	CCCCCCCCC=CCO	0.84	1.0
Compound_4615	CCCCCCCCC=COCC	0.83	1.0
Compound_4616	CCCCCCCCC=Nc1ccccc1C(=O)OC	0.47	0.0
Compound_4617	CCCCCCCCC=O	0.98	1.0
Compound_4618	CCCCCCCCc1c(CCCCCCCC)cccc1O	0.15	0.0
Compound_4619	CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC	0.6	1.0
Compound_4620	CCCCCCCCc1ccc(cc1)Nc1ccccc1	0.63	1.0
Compound_4621	CCCCCCCCCBr	0.95	1.0
Compound_4622	CCCCCCCCCc1ccccc1	0.74	1.0
Compound_4623	CCCCCCCCCc1nc(N)nc(n1)N	0.33	0.0
Compound_4624	CCCCCCCCCl	0.98	1.0
Compound_4625	CCCCCCCCn1sc(c(c1=O)Cl)Cl	0.51	1.0
Compound_4626	CCCCCCCCn1sc(cc1=O)Cl	0.51	1.0
Compound_4627	CCCCCCCCn1scc(c1=O)Cl	0.51	1.0
Compound_4628	CCCCCCCCn1sccc1=O	0.47	0.0
Compound_4629	CCCCCCCCP	0.94	1.0
Compound_4630	CCCCCCCCP(=O)(CCCCCC)CCCCCC	0.91	1.0
Compound_4631	CCCCCCCCP(=O)(CCCCCCCC)CCCCCC	0.91	1.0
Compound_4632	CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC	0.91	1.0
Compound_4633	CCCCCCCCP(=O)(OCC(CCCC)CC)OCC(CCCC)CC	0.86	1.0
Compound_4634	CCCCCCCCP(CCCCCCCC)CCCCCCCC	0.88	1.0
Compound_4635	CCCCCCCCP(=O)(CCCCCCCC)O	0.73	1.0
Compound_4636	CCCCCCCCP(=O)(O)O	0.64	1.0
Compound_4637	CCCCCCCCS	0.88	1.0
Compound_4638	CCCCCCCCSC(=O)CC	0.85	1.0
Compound_4639	CCCCCCCCSC(=O)Cl	0.9	1.0
Compound_4640	CCCCCCCCSCc1cc(CSCCCCCCCC)c(c(c1)C)O	0.44	0.0
Compound_4641	CCCCCCCCSCCCCCCCC	0.94	1.0
Compound_4642	CCCCCCCCSSc1nnc(s1)SSCCCCCCCC	0.44	0.0
Compound_4643	CCCCCCCCSSCCCCCCCC	0.83	1.0
Compound_4644	CCCCCCCCSSCCl	0.81	1.0
Compound_4645	CCCCCCCCSSSCCCCCCCC	0.79	1.0
Compound_4646	CCCCNS(=O)(=O)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	0.32	0.0
Compound_4647	CCNS(=O)(=O)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	0.61	1.0
Compound_4648	CCO[Si](OCC)(OCC)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.83	1.0
Compound_4649	CCO[Si](OCC)(OCC)CCCCCCCC[Si](OCC)(OCC)OCC	0.83	1.0
Compound_4650	CN(CCCNS(=O)(=O)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)C	0.29	0.0
Compound_4651	CNS(=O)(=O)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	0.7	1.0
Compound_4652	CO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)OC	0.7	1.0
Compound_4653	COC(=O)c1ccccc1N=CCC(CCCC(O)(C)C)C	0.2	0.0
Compound_4654	COC(=O)OC1CCCC=CCC1	0.63	1.0
Compound_4655	O=CCC(CCCC(OC)(C)C)C	0.73	1.0
Compound_4656	ICCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.86	1.0
Compound_4657	ClS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.81	1.0
Compound_4658	CC(CCCCCCc1cc2ccccc2c(c1CCCCCCC(C)C)S(=O)(=O)O)C	0.49	0.0
Compound_4659	O=CC1CCCC=CCC1	0.87	1.0
Compound_4660	O=COC1CCCC=CCC1	0.78	1.0
Compound_4661	CCCCCCCCCc1ccccc1O	0.16	0.0
Compound_4662	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4663	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4664	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4665	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4666	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4667	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4668	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4669	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4670	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4671	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4672	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4673	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4674	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4675	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4676	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4677	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4678	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4679	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4680	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4681	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4682	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4683	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4684	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4685	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4686	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4687	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4688	CCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4689	CCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4690	CCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4691	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4692	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4693	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4694	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4695	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4696	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4697	CCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4698	CCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4699	CCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4700	CCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4701	CCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4702	CCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4703	CCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4704	CCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4705	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4706	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4707	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4708	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4709	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4710	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4711	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4712	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4713	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4714	CCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4715	OC(=O)CCCC1CCCCC1	0.35	0.0
Compound_4716	OC(=O)CCCC1CCCCC1	0.35	0.0
Compound_4717	OC(=O)CCCC1CCCCC1	0.35	0.0
Compound_4718	OC(=O)CCCC1CCCCC1	0.35	0.0
Compound_4719	OC(=O)CCCC1CCCCC1	0.35	0.0
Compound_4720	OC(=O)CCCC1CCCCC1	0.35	0.0
Compound_4721	OC(=O)CCCC1CCCCC1	0.35	0.0
Compound_4722	OC(=O)CCCC1CCCCC1	0.35	0.0
Compound_4723	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.57	1.0
Compound_4724	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.57	1.0
Compound_4725	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.57	1.0
Compound_4726	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.57	1.0
Compound_4727	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.57	1.0
Compound_4728	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.57	1.0
Compound_4729	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.57	1.0
Compound_4730	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4731	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4732	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4733	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4734	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4735	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4736	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4737	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4738	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4739	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4740	CCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4741	C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C	0.59	1.0
Compound_4742	CCCCCCCCCC[N+](CCCCCCCCCC)(C)C	0.72	1.0
Compound_4743	CCCCCCCCCC[N+](CCCCCCCCCC)(C)C	0.72	1.0
Compound_4744	CCCCCCCCCC[N+](CCCCCCCCCC)(C)C	0.72	1.0
Compound_4745	CCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4746	CCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4747	CCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4748	CCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4749	CCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4750	CCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4751	CCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4752	CCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4753	CCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4754	CCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4755	CCCCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4756	CCCCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4757	CCCCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4758	CCCCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4759	CCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4760	CCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4761	CCCCCCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4762	CCCCCCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4763	CCCCCCCCCCCC(=O)NCCS(=O)(=O)O	0.11	0.0
Compound_4764	CCCCCCCCCCCCCCCCc1ccc(c(c1)C(=O)O)O	0.78	1.0
Compound_4765	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4766	CCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCCCC	0.61	1.0
Compound_4767	CCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4768	CCCCCCCCCC[N+](CCCCCCCC)(C)C	0.72	1.0
Compound_4769	CCCCCCCCCC[N+](Cc1ccccc1)(CCCCCCCCCC)C	0.2	0.0
Compound_4770	CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)C	0.75	1.0
Compound_4771	CCCCCCCCCCCC(=O)OCC[N+](C)(C)C	0.34	0.0
Compound_4772	CCCCCCCCCCCC[N+](CC(CCl)O)(C)C	0.39	0.0
Compound_4773	CCCCCCCCCCCC[N+](CC(CO)O)(C)C	0.28	0.0
Compound_4774	CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C)C	0.72	1.0
Compound_4775	CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C	0.75	1.0
Compound_4776	CCCCCCCCCCCC[n+]1ccn(c1C)Cc1ccccc1	0.1	0.0
Compound_4777	CCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4778	CCCCCCCCCCCCc1ccc(cc1)C[N+](C)(C)C	0.24	0.0
Compound_4779	CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4780	CCCCCCCCCCCCCC[N+](CCC[Si](OC)(OC)OC)(C)C	0.44	0.0
Compound_4781	CCCCCCCCCCCCCCP(CCCC)(CCCC)CCCC	0.91	1.0
Compound_4782	CCCCCCCCCCCCCCP(CCCCCC)(CCCCCC)CCCCCC	0.91	1.0
Compound_4783	CCCCCCCCCCCCCCC(C[N+](C)(C)C)CCCCCCCCCCCC	0.61	1.0
Compound_4784	CCCCCCCCCCCCCCC(C[N+](C)(C)C)O	0.3	0.0
Compound_4785	CCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4786	CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	0.31	0.0
Compound_4787	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(C)C	0.23	0.0
Compound_4788	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(C)C	0.23	0.0
Compound_4789	CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(C)C	0.72	1.0
Compound_4790	CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)C	0.75	1.0
Compound_4791	CCCCCCCCCCCCCCCCCC[N+](CC(CCl)O)(C)C	0.39	0.0
Compound_4792	CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4793	CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4794	CCCCCCCCCCCCCCCCCC[N+](CCC[Si](OC)(OC)OC)(C)C	0.44	0.0
Compound_4795	CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C	0.72	1.0
Compound_4796	CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C	0.72	1.0
Compound_4797	CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C	0.72	1.0
Compound_4798	CCCCCCCCCCCCCCCCCC[N+](CCO)(C)C	0.39	0.0
Compound_4799	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)O	0.26	0.0
Compound_4800	CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4801	CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_4802	CCCCCCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_4803	CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C	0.44	0.0
Compound_4804	CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C	0.35	0.0
Compound_4805	CCCCCCCCCCCCC(COc1ccc(cc1)[I+]c1ccccc1)O	0.68	1.0
Compound_4806	C=CC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)C	0.8	1.0
Compound_4807	CCCC1CCC(CC1)C1CCC(CC1)c1cc(F)c(c(c1)F)F	0.87	1.0
Compound_4808	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)c1cc(F)c(c(c1)F)F	0.9	1.0
Compound_4809	C=CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)C	0.81	1.0
Compound_4810	CCCC1CCC(CC1)C1CCC(CC1)C=CC	0.81	1.0
Compound_4811	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(c(c1)F)F	0.73	1.0
Compound_4812	CCCC1CCC(CC1)C1CCC(CC1)C(Oc1cc(F)c(c(c1)F)F)(F)F	0.73	1.0
Compound_4813	CCCC1CCC(CC1)C1CCC(CC1)C(=O)O	0.74	1.0
Compound_4814	CCCC1CCC(CC1)C1CCC(CC1)C=C	0.84	1.0
Compound_4815	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)C	0.81	1.0
Compound_4816	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)OC(F)(F)F	0.81	1.0
Compound_4817	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1F)F)OCC	0.74	1.0
Compound_4818	CCCC1CCC(CC1)C1CCC(CC1)OC	0.49	0.0
Compound_4819	CCCCC1CCC(CC1)C1CCC(CC1)CCC	0.74	1.0
Compound_4820	CCCCCC1CCC(CC1)C1CCC(CC1)CCC	0.74	1.0
Compound_4821	CCCCC1CCC(CC1)C1CCC(CC1)C=CC	0.7	1.0
Compound_4822	CCCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1F)F)OCC	0.78	1.0
Compound_4823	CCCCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(c(c1F)F)OCC	0.74	1.0
Compound_4824	CCCCCC1CCC(CC1)C1CCC(CC1)C=C	0.75	1.0
Compound_4825	CCCCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1F)F)OCC	0.66	1.0
Compound_4826	CC1=CCC(CC1)C1(C)CCC(C(O1)(C)C)O	0.29	0.0
Compound_4827	CNc1ccc2c(c1C(=O)O)nc(o2)CC1OC2(CCC1C)OC(C(CC2C)C)C(C(=O)c1ccc[nH]1)C	0.06	0.0
Compound_4828	CCCCCCCCCCCCCCCC(=O)OC(C1OC(=O)C(=O)C1OC(=O)CCCCCCCCCCCCCCC)CO	0.59	1.0
Compound_4829	CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.43	0.0
Compound_4830	CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.43	0.0
Compound_4831	CC1CCC2(C(C1C)C1=CCC3C(C1(CC2)C)(C)CCC1C3(C)CCC(C1(C)C)O)C(=O)O	0.26	0.0
Compound_4832	O=C1C=C2C3CC(C)(CCC3(C)CCC2(C2(C1C1(C)CCC(C(C1CC2)(C)C)O)C)C)C(=O)O	0.32	0.0
Compound_4833	O=C1C=C2C3CC(C)(CCC3(C)CCC2(C2(C1C1(C)CCC(C(C1CC2)(C)C)O)C)C)C(=O)O	0.32	0.0
Compound_4834	CC1=CCC23CC1C(C)(C)C2CCC3C	0.55	1.0
Compound_4835	COC1(C)CCC23CC1C(C)(C)C2CCC3C	0.23	0.0
Compound_4836	COC1(C)CCC23CC1C(C)(C)C2CCC3C	0.23	0.0
Compound_4837	CC1CCC2C31CCC(C(C3)C2(C)C)(C)O	0.16	0.0
Compound_4838	OCC1(C)C(O)C(O)CC2(C1CCC1(C2CC=C2C1(C)CCC1(C2C(C)C(CC1)C)C(=O)O)C)C	0.15	0.0
Compound_4839	OCC(=CCCC1(C)C2CC3C1(C)C3C2)C	0.4	0.0
Compound_4840	CC1CC(C)C(=O)C(C1)C(CC1CC(=O)NC(=O)C1)O	0.24	0.0
Compound_4841	CCCOc1ccc(c(c1F)F)C1CCC(CC1)C1CCC(CC1)CCC	0.78	1.0
Compound_4842	CC(=O)C1=C(C)C2CC3(C1)C(C)CCC3C2(C)C	0.55	1.0
Compound_4843	CC(=O)C1=C(C)C2CC3(C1)C(C)CCC3C2(C)C	0.55	1.0
Compound_4844	CC12CCCC(C2)(O)C2C(CC1)C(C2)(C)C	0.19	0.0
Compound_4845	CC1=CCCC(=C)C2C(CC1)C(C2)(C)C	0.56	1.0
Compound_4846	CC1=CCCC(=C)C2C(CC1)C(C2)(C)C	0.56	1.0
Compound_4847	OCC1(C)C(O)C(O)CC2(C1C(O)CC1(C2CC=C2C1(C)CCC1(C2C(C)C(CC1)C)C(=O)O)C)C	0.15	0.0
Compound_4848	O=COCC1=C2C(C)(C)C3CC2(C(CC1)(C)C)CC3	0.61	1.0
Compound_4849	CCCCCCCCCCCCCN=C(C=CC(=O)O)O	0.36	0.0
Compound_4850	O=COC1(C)CCC23CC1C(C)(C)C2CCC3C	0.31	0.0
Compound_4851	CC1(O)C2CC3CC1CC(C2)C3	0.69	1.0
Compound_4852	CCC1(O)C2CC3CC1CC(C2)C3	0.56	1.0
Compound_4853	CCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCC=CCCCCCCCC	0.33	0.0
Compound_4854	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O	0.41	0.0
Compound_4855	CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4856	OC(=O)CCCCCCCCC(=O)O	0.69	1.0
Compound_4857	OC(=O)CCCCCCCCC(=O)O	0.69	1.0
Compound_4858	OC(=O)CCCCCCCCC(=O)O	0.69	1.0
Compound_4859	OC(=O)CCCCCCCCC(=O)O	0.69	1.0
Compound_4860	OC(=O)CCCCCCCCC(=O)O	0.69	1.0
Compound_4861	OC(=O)CCCCCCCCC(=O)O	0.69	1.0
Compound_4862	OC(=O)CCCCCCCCC(=O)O	0.69	1.0
Compound_4863	CCCCCCCCCC(S(=O)(=O)O)CCCCCCCC(=O)O	0.54	1.0
Compound_4864	CCCCCCCCCCC=CC(C(=O)O)CC(=O)O	0.4	0.0
Compound_4865	CCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4866	CCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4867	CCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4868	CCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4869	CCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4870	CCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4871	CCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4872	CCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4873	CCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4874	CCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4875	CCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4876	CCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4877	CCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_4878	CC(CCCCCCCCCCCCCCC(=O)O)C	0.62	1.0
Compound_4879	CC(CCCCCCCCCCCCCCC(=O)O)C	0.62	1.0
Compound_4880	CC(CCCCCCCCCCCCCCC(=O)O)C	0.62	1.0
Compound_4881	CCCCCCCCC(C(CCCCCCCC(=O)O)O)O	0.53	1.0
Compound_4882	CCCCCCCCC(C(CCCCCCCC(=O)O)O)O	0.53	1.0
Compound_4883	CCCCCCCCC(C(CCCCCCCC(=O)O)O)O	0.53	1.0
Compound_4884	CCCCCCCCCC(=O)O	0.65	1.0
Compound_4885	CCCCCCCCCC(=O)O	0.65	1.0
Compound_4886	CCCCCCCCCC(=O)O	0.65	1.0
Compound_4887	CCCCCCCCCC(=O)O	0.65	1.0
Compound_4888	CCCCCCCCCC(=O)O	0.65	1.0
Compound_4889	CCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4890	CCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4891	CCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4892	CCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4893	CCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4894	CCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)O)N	0.14	0.0
Compound_4895	CCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)O)N	0.14	0.0
Compound_4896	CCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4897	CCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4898	CCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4899	CCCCCCCCCCCCCCCCOP(=O)=O	0.82	1.0
Compound_4900	CCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCC)O	0.84	1.0
Compound_4901	CCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCC)O	0.84	1.0
Compound_4902	CCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCC)O	0.84	1.0
Compound_4903	CCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCC)O	0.84	1.0
Compound_4904	CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)O	0.84	1.0
Compound_4905	CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)O	0.84	1.0
Compound_4906	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4907	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4908	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4909	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4910	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4911	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4912	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4913	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4914	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4915	CCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4916	CC(C(=O)O)CSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.81	1.0
Compound_4917	CCCCCCC(CCCCCCCCCCC(=O)OC)O	0.64	1.0
Compound_4918	CCCCCCC(CCCCCCCCCCC(=O)OC)O	0.64	1.0
Compound_4919	CCCCCCCCCCCCc1ccccc1S(=O)(=O)O	0.4	0.0
Compound_4920	CCCCCCCCCCCCc1ccccc1S(=O)(=O)O	0.4	0.0
Compound_4921	CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)O	0.04	0.0
Compound_4922	CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)O	0.04	0.0
Compound_4923	CCCCCCCCCCCCC	0.98	1.0
Compound_4924	CCCCCCCCCCCCC	0.98	1.0
Compound_4925	CCCCCCCCCCCCC	0.98	1.0
Compound_4926	CCCCCCCCCCCCOCCOS(=O)(=O)O	0.68	1.0
Compound_4927	CCCCCCCCCCCCOCCOS(=O)(=O)O	0.68	1.0
Compound_4928	CCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4929	CCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4930	CCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4931	CCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4932	CCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_4933	CCCCCCCCCCCCCCS(=O)(=O)OO	0.65	1.0
Compound_4934	CCCCCCCCCCCCCCCC(=O)N1C(=O)CCC1C(=O)O	0.17	0.0
Compound_4935	C=CCCCCCCCCC(=O)NCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.16	0.0
Compound_4936	OC(=O)CCCCCCCCCCC(=O)O	0.69	1.0
Compound_4937	OC(=O)CCCCCCCCCCC(=O)O	0.69	1.0
Compound_4938	OC(=O)CCCCCCCCCCC(=O)O	0.69	1.0
Compound_4939	CCCC(OC(=O)C(S(=O)(=O)O)CC(=O)O)CCCCCCCC	0.49	0.0
Compound_4940	CCCCCCCCCC(OS(=O)(=O)O)CCCCCCCC(=O)O	0.51	1.0
Compound_4941	CCCCCCCCCC(OS(=O)(=O)O)CCCCCCCC(=O)O	0.51	1.0
Compound_4942	CCCCCCCCCCCC(=O)NCCOC(=O)C(S(=O)(=O)O)CC(=O)O	0.2	0.0
Compound_4943	CCCCCCCCCCCCc1ccccc1Oc1cccc(c1S(=O)(=O)O)S(=O)(=O)O	0.5	0.0
Compound_4944	CCCCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4945	CCCCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4946	CCCCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)O	0.1	0.0
Compound_4947	CCCCCCCCCCCCCCCCCCCCOC(=O)C(S(=O)(=O)O)CC(=O)O	0.49	0.0
Compound_4948	CCCCCCCCCCCCCCCCCCNC(=O)CC(S(=O)(=O)O)C(=O)O	0.13	0.0
Compound_4949	CCCCCCCCCCCCCCCCCCNC(=O)CC(S(=O)(=O)O)C(=O)O	0.13	0.0
Compound_4950	CCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)O)S(=O)(=O)O	0.45	0.0
Compound_4951	CCCCCCCCCCCCOC(=O)c1cc(ccc1C(=O)O)S(=O)(=O)O	0.45	0.0
Compound_4952	CCCCC(CCC(OS(=O)(=O)O)CCC(CC)CC)CC	0.58	1.0
Compound_4953	CCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCC	0.38	0.0
Compound_4954	CCCCCCCCC(S(=O)(=O)O)C(CCCCCCCC(=O)N(CCCC)CCCC)O	0.41	0.0
Compound_4955	CCCCCCCCC(OC(=O)CC(S(=O)(=O)O)C(=O)OCC=C)CCC	0.52	1.0
Compound_4956	CCCCCCCCC(C(=O)O)CCCCCC	0.94	1.0
Compound_4957	CCCCCCCCC(C(=O)O)CCCCCC	0.94	1.0
Compound_4958	CCCCCCCCC(COS(=O)(=O)O)CCCCCC	0.64	1.0
Compound_4959	CCCCCCCCC(OS(=O)(=O)O)CCCCCCCCC(=O)OCC(C)C	0.59	1.0
Compound_4960	CCCCCCCCCC(OC(=O)CC(S(=O)(=O)O)C(=O)OCC=C)CCC	0.52	1.0
Compound_4961	CCCCCCCCCC(OS(=O)(=O)O)CCCCCCCC(=O)OC(C)C	0.59	1.0
Compound_4962	CCCCCCCCCC(OS(=O)(=O)O)CCCCCCCC(=O)OC	0.61	1.0
Compound_4963	CCCCCCCCCC(OS(=O)(=O)O)CCCCCCCC(=O)OCCC	0.59	1.0
Compound_4964	CCCCCCCCCC(S(=O)(=O)O)CCCCCCCC(=O)OCCC	0.63	1.0
Compound_4965	CCCCCCCCCC(NCCC(=O)O)CCCCCCCC	0.22	0.0
Compound_4966	CCCCCCCCCCC(S(=O)(=O)O)C(=O)OC	0.66	1.0
Compound_4967	CCCCCCCCCCC(S(=O)(=O)O)CCC	0.65	1.0
Compound_4968	CCCCCCCCCCC(COS(=O)(=O)O)CCCCCCCC	0.64	1.0
Compound_4969	CCCCCCCCCCC(COCC(=O)O)O	0.56	1.0
Compound_4970	CCCCCCCCCCC=CS(=O)(=O)O	0.57	1.0
Compound_4971	CCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.38	0.0
Compound_4972	CCCCCCCCCCCC(=O)N(CC(=O)O)C	0.35	0.0
Compound_4973	CCCCCCCCCCCC(=O)N(CC(=O)O)C	0.35	0.0
Compound_4974	CCCCCCCCCCCC(=O)N(CCS(=O)(=O)O)C	0.38	0.0
Compound_4975	CCCCCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)O	0.53	1.0
Compound_4976	CCCCCCCCCCCC1=[N+](CCO)CCN1CC(=O)O	0.19	0.0
Compound_4977	CCCCCCCCCCCCc1cccc(c1)S(=O)(=O)O	0.38	0.0
Compound_4978	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.38	0.0
Compound_4979	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.38	0.0
Compound_4980	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.38	0.0
Compound_4981	CCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.35	0.0
Compound_4982	CCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.35	0.0
Compound_4983	CCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4984	CCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4985	CCCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)OC	0.66	1.0
Compound_4986	CCCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)OC	0.66	1.0
Compound_4987	CCCCCCCCCCCCCCc1ccccc1	0.74	1.0
Compound_4988	CCCCCCCCCCCCCCCC(=O)N(C1CCCCC1)CCS(=O)(=O)O	0.39	0.0
Compound_4989	CCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4990	CCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_4991	CCCCCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)OC(C)C	0.53	1.0
Compound_4992	CCCCCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)OC	0.66	1.0
Compound_4993	CCCCCCCCCCCCCCCCC(c1cc(O)c(cc1O)S(=O)(=O)O)C	0.44	0.0
Compound_4994	CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.35	0.0
Compound_4995	CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.35	0.0
Compound_4996	CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O)C	0.38	0.0
Compound_4997	CCCCCCCCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)O)N	0.14	0.0
Compound_4998	CCCCCCCCCCCCCCCCCC(=O)OC(C)C	0.75	1.0
Compound_4999	CCCCCCCCCCCCCCCCCC(=O)OC(C)C	0.75	1.0
Compound_5000	CCCCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O	0.52	1.0
Compound_5001	CCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5002	CCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5003	CCCCCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5004	CCCCCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5005	CCCCCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5006	CCCCCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5007	CCCCCCCCCCCCCCCCCCS(=O)(=O)O	0.58	1.0
Compound_5008	CCCCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5009	CCCCCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCCCCCCCCCC	0.61	1.0
Compound_5010	CCCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5011	CCCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5012	CCCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5013	CCCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5014	CCCCCCCCCCCCCCCS(=O)(=O)O	0.58	1.0
Compound_5015	CCCCCCCCCCCCCCCS(=O)(=O)O	0.58	1.0
Compound_5016	CCCCCCCCCCCCCCNCCC(=O)O	0.25	0.0
Compound_5017	CCCCCCCCCCCCCCNCCC(=O)O	0.25	0.0
Compound_5018	CCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5019	CCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5020	CCCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5021	CCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCCCCCCC	0.61	1.0
Compound_5022	CCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5023	CCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5024	CCCCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5025	CCCCCCCCCCCCNCCC(=O)O	0.25	0.0
Compound_5026	CCCCCCCCCCCCNCCC(=O)O	0.25	0.0
Compound_5027	CCCCCCCCCCCCOC(=O)C(S(=O)(=O)O)CC(=NCCO)O	0.29	0.0
Compound_5028	CCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.55	1.0
Compound_5029	CCCCCCCCCCCCOC(=O)CS(=O)(=O)O	0.59	1.0
Compound_5030	CCCCCCCCCCCCS(=O)(=O)O	0.58	1.0
Compound_5031	CCCCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_5032	CCCCCCCCCCS(=O)(=O)O	0.58	1.0
Compound_5033	CCCCN(C(=O)CCCCCCCCC(OS(=O)(=O)O)CCCCCCCC(=O)O)CCCC	0.34	0.0
Compound_5034	OP(=O)(OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)O	0.95	1.0
Compound_5035	OP(=O)(OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)O	0.95	1.0
Compound_5036	OP(=O)(OCCC(C(C(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)(F)F)(F)F)O	0.95	1.0
Compound_5037	OP(=O)(OCCC(C(C(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)(F)F)(F)F)O	0.95	1.0
Compound_5038	OP(=O)(OCCC(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)O	0.95	1.0
Compound_5039	OP(=O)(OCCC(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)O	0.95	1.0
Compound_5040	OP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.95	1.0
Compound_5041	OP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.95	1.0
Compound_5042	CCCCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_5043	CCCCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_5044	CCCCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_5045	CCCCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_5046	CCCCCCCCCCCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_5047	FC(C(C(C(C(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)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)O)F	0.98	1.0
Compound_5048	FC(C(C(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)(F)F)(CCOP(=O)(OCCC(C(C(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)(F)F)(F)F)O)F	0.98	1.0
Compound_5049	FC(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)(CCOP(=O)(OCCC(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)O)F	0.98	1.0
Compound_5050	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.98	1.0
Compound_5051	CCCCCCCCCCCC[N+](CCO)(C)C	0.39	0.0
Compound_5052	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(C)C	0.23	0.0
Compound_5053	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(C)C	0.23	0.0
Compound_5054	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(C)C	0.23	0.0
Compound_5055	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(C)C	0.23	0.0
Compound_5056	CCCCCCCCCCC(C[N+](Cc1ccccc1)(C)C)O	0.11	0.0
Compound_5057	CCCCCCCCCCCC1=[N+](CCO)CCN1CC(=O)[O-]	0.19	0.0
Compound_5058	CC(CCCCCCCC(=O)O)C	0.62	1.0
Compound_5059	CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)O	0.84	1.0
Compound_5060	CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)O	0.84	1.0
Compound_5061	CCCCCCCCCCCCOP(=S)(OCCCCCCCCCCCC)S	0.78	1.0
Compound_5062	BrC1CCC(Br)C(Br)CCC(C(CCC1Br)Br)Br	0.99	1.0
Compound_5063	C=CC(CCC1C(C)(O)CCC2C1(C)CCCC2(C)C)(O)C	0.1	0.0
Compound_5064	C=C1CCC2OC2(CCC2C1CC2(C)C)C	0.54	1.0
Compound_5065	CC(=O)C1(C)CCC2=C(C1C)C(C)(C)CCC2	0.59	1.0
Compound_5066	O=C1CC(C)C2(C(=C1)CCC(C2)C(=C)C)C	0.36	0.0
Compound_5067	O=C1CC(C)C2(C(=C1)CCC(=C(C)C)C2)C	0.45	0.0
Compound_5068	C=C1CCC23CC1C(C)(C)C2C(CC3C)O	0.24	0.0
Compound_5069	CC1CCC2C(C3=C(CCC13)C)C2(C)C	0.56	1.0
Compound_5070	CC1CCC2(O1)C(C)(C)CCCC2(C)O	0.21	0.0
Compound_5071	O=C1CC23CC(C1C)C(C3CCC2C)(C)C	0.1	0.0
Compound_5072	CC1CCC2C31CCC(C(C3)C2(C)C)(C)C(=O)C	0.51	1.0
Compound_5073	CC1CCC2C31CCC1(C(C3)C2(C)C)CO1	0.54	1.0
Compound_5074	CC(=C)C1CCC2=CCCC(C2(C1)C)C	0.63	1.0
Compound_5075	OC1CCC2(C(C1)CCC1C2CCC2(C1CC=C2)C)C	0.16	0.0
Compound_5076	C=C1C2CCC3C1(C)CCCC(C23)(C)C	0.56	1.0
Compound_5077	CC(=CCCC(C1CCC2(C1(C)CCC1=C2CCC2C1(C)CCC(C2(C)C)O)C)C)C	0.31	0.0
Compound_5078	O=C1CC2C3C1C(C2(C)CCCC3(C)C)C	0.1	0.0
Compound_5079	O=C1CC2(C)CCCC(C32C(C1C)C3)(C)C	0.22	0.0
Compound_5080	O=C1CCC2(C=C1)CC1CC(C2C)C1(C)C	0.4	0.0
Compound_5081	CC1CC(C)(C)C2=C(C1(C)C)CC1(C(C2)O1)C	0.55	1.0
Compound_5082	CC1CCC2(C3(C1CC(C2(C)C)CC3)C)O	0.08	0.0
Compound_5083	CC1CCC(CC1)C1CCC(CC1)c1cc(F)c(c(c1)F)F	0.79	1.0
Compound_5084	CC1CCC(CC2C1CCC2C)C(O)(C)C	0.52	1.0
Compound_5085	CC(=O)C1(C)CC2=C(CC1C)CCCC2(C)C	0.59	1.0
Compound_5086	CC(=O)C1(C)CC2=C(CC1C)CCCC2(C)C	0.59	1.0
Compound_5087	CC1CCC2=C(C)CCC(CC12)C(O)(C)C	0.48	0.0
Compound_5088	CC1CCC2=C(C)CCC(CC12)C(O)(C)C	0.48	0.0
Compound_5089	CC1CCC(CC2=C1CCC2C)C(O)(C)C	0.48	0.0
Compound_5090	CC(=O)OC(C1CCC(C2=C(C1)C(C)CC2)C)(C)C	0.57	1.0
Compound_5091	CC(=C)C1CCC(C2=C(C1)C(C)CC2)C	0.6	1.0
Compound_5092	CC1CCC2=C1CC1CCC2(C1(C)C)C	0.56	1.0
Compound_5093	CC(=C1CCC(C2=C(C1)C(C)CC2)C)C	0.52	1.0
Compound_5094	C=CCCCCCCCCC(=O)O[Si](C)(C)C	0.69	1.0
Compound_5095	OCC(=CCCC1(C)C2CCC(C1=C)C2)C	0.39	0.0
Compound_5096	CC=CC1CCC(CC1)C1CCC(CC1)C=CC	0.78	1.0
Compound_5097	C=CC(=O)OCCCCCCCCCCOC(=O)C=C	0.78	1.0
Compound_5098	C=CCCCCCCCCC=CC#N	0.8	1.0
Compound_5099	C=CCCCCCCCCC=CC#N	0.8	1.0
Compound_5100	C=CCCCCCCCCC=CC=O	0.83	1.0
Compound_5101	C=CCCCCCCCCC=O	0.78	1.0
Compound_5102	C=CCOC(=O)CCCC1CCCCC1	0.78	1.0
Compound_5103	C=CCOC(=O)CCCCCC1CCCCC1	0.78	1.0
Compound_5104	C1=CC2C(C1)C1CC2C2C1C1C=CC2C1	0.87	1.0
Compound_5105	C1CCCCC2(CC1)COCC2	0.83	1.0
Compound_5106	C1=COC2(CC1)CC1CC2C2C1CCC2	0.62	1.0
Compound_5107	C1CC2C(C1)C1CC2CC1	0.93	1.0
Compound_5108	C1CCC2C(C1)CCCC2	0.96	1.0
Compound_5109	C1CCCCCc2c(CCCC1)ocn2	0.56	1.0
Compound_5110	C1CCCCCC2C(CCCC1)O2	0.87	1.0
Compound_5111	C1CCCCCCCCCCC1	0.95	1.0
Compound_5112	C1CCCCC2(CC1)CCCO2	0.77	1.0
Compound_5113	C1CCCC=CC2C(CCCC1)COC2	0.85	1.0
Compound_5114	CCCCCCCCCCCCN	0.46	0.0
Compound_5115	CCCCCCCCCCCCN	0.46	0.0
Compound_5116	CCCCCCCCCCCCN	0.46	0.0
Compound_5117	CCCCCCCCCCCCN	0.46	0.0
Compound_5118	CC(=C)C(=O)OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F	0.69	1.0
Compound_5119	O=C(C(=C)C)OCCCCCCCCCCCCOC(=O)C(=C)C	0.83	1.0
Compound_5120	O=C(C(=C)C)OCCCCCCCCCCOC(=O)C(=C)C	0.83	1.0
Compound_5121	O=C(C(=C)C)OCCOC1CCC(CC1)C(C1CCC(CC1)OCCOC(=O)C(=C)C)(C)C	0.5	0.0
Compound_5122	CC(=O)C1=C2CC3(C)CCC2(C(CC1)(C)C)CC3	0.6	1.0
Compound_5123	CC(=O)CC(C1CCCCC1)(C)C	0.48	0.0
Compound_5124	CC(=O)CCC1=C(C)CCCC1(C)C	0.57	1.0
Compound_5125	CC(=O)CCC1C(=C)CCCC1(C)C	0.48	0.0
Compound_5126	CC(=O)OC1CCC(=C)C2C(CC=C1C)C(C2)(C)C	0.44	0.0
Compound_5127	CC(=O)OCC=C1C2CCC3C1(C)CCCC(C23)(C)C	0.62	1.0
Compound_5128	CC(=O)OCC1CC2C(C1)C1CC2CC1	0.83	1.0
Compound_5129	C=CCCCCCCCCCOC(=O)C	0.77	1.0
Compound_5130	CC(C1CCC(CC1)(OOC(C)(C)C)OOC(C)(C)C)(C1CCC(CC1)(OOC(C)(C)C)OOC(C)(C)C)C	0.45	0.0
Compound_5131	CC(C1CCC(CC1)OCC1OC1)(C1CCC(CC1)OCC1OC1)C	0.66	1.0
Compound_5132	OC1CCC(CC1)C(C1CCC(CC1)O)(C)C	0.31	0.0
Compound_5133	CC(C1CCCCC1)(CC1(C)CC(C2C1CCCC2)(C)C1CCCCC1)C	0.63	1.0
Compound_5134	CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O	0.39	0.0
Compound_5135	CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O	0.39	0.0
Compound_5136	CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O	0.39	0.0
Compound_5137	CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O	0.39	0.0
Compound_5138	CC(CCC1CCCCC1)(O)C	0.53	1.0
Compound_5139	O=CC1CCC(=CC1)CCCC(O)(C)C	0.36	0.0
Compound_5140	O=CC1CCC=C(C1)CCCC(O)(C)C	0.36	0.0
Compound_5141	CC(=CCCC1(C)C2CCC(C1=C)C2)C	0.52	1.0
Compound_5142	CC(=CCCC1=CCC(CC1)C(=C)CCC=C(C)C)C	0.57	1.0
Compound_5143	OCC1(C)CCCC2(C1CCC1C2CCC(C1)C(C)C)C	0.56	1.0
Compound_5144	CC(C1CC2=C(CC1C(C2)C(=O)C)C)C	0.66	1.0
Compound_5145	O=C1CCC2C(C1)CCC(C2)C(C)C	0.42	0.0
Compound_5146	CC(CC(CCC(CC(C)C)(O)C)(O)C)C	0.47	0.0
Compound_5147	OCC=C(CCCC(CCCC(CCCC(C)C)C)C)C	0.6	1.0
Compound_5148	CC(CCCC(=CCOC(=O)C)C)CCCC(CCCC(C)C)C	0.91	1.0
Compound_5149	C#CC(CCCC(CCCC(C)C)C)(O)C	0.41	0.0
Compound_5150	CC(CCCC(=O)C)CCCC(C)C	0.7	1.0
Compound_5151	C=CC(=C)CCCC(CCCC(CCCC(C)C)C)C	0.54	1.0
Compound_5152	OCC(C(CCCC(CCCC(CCCC(C)C)C)C)(O)C)O	0.33	0.0
Compound_5153	C=CC(CCCC(CCCC(CCCC(C)C)C)C)(O)C	0.38	0.0
Compound_5154	C=C=C(CCCC(CCCC(CCCC(C)C)C)C)C	0.54	1.0
Compound_5155	CC(CCCC(C)C)CCCC(CCCC(=O)C)C	0.7	1.0
Compound_5156	CC(CCCC(CCCC(C)C)C)CCCCC(CCCC(CCCC(C)C)C)C	0.73	1.0
Compound_5157	O=CC1(C)CCC(=CC1)CCCC(C)C	0.59	1.0
Compound_5158	CC(CCCCCC1(O)CCCCC1)C	0.2	0.0
Compound_5159	CC(CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C)C	0.61	1.0
Compound_5160	CC(CCCCCCCCCCCCC(=O)O)C	0.62	1.0
Compound_5161	CC(CCCCCCCCCCCCCCC(=O)NCCCN(C)C)C	0.3	0.0
Compound_5162	CC(CCCCCCCCCCCCCCC(=O)OC(C)C)C	0.75	1.0
Compound_5163	CC(CCCCCCCCCCCCCCC(=O)OCC(O)C)C	0.68	1.0
Compound_5164	CC(CCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC(C)C)C)C	0.52	1.0
Compound_5165	OCC(OC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C	0.34	0.0
Compound_5166	CC(CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C)C	0.61	1.0
Compound_5167	OCC(COCC(COC(=O)CCCCCCCCCCCCCCC(C)C)O)O	0.33	0.0
Compound_5168	OC(COC(=O)CCCCCCCCCCCCCCC(C)C)COCC(COC(=O)CCCCCCCCCCCCCCC(C)C)O	0.38	0.0
Compound_5169	CC(CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C)C	0.78	1.0
Compound_5170	CC(CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C)C	0.76	1.0
Compound_5171	CC(CCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC(C)C)C	0.58	1.0
Compound_5172	C=CC(=O)OCCCCCCCCCCCCCCCC(C)C	0.79	1.0
Compound_5173	CC(CCCCCCCCCCCCCCCOC(=O)c1ccccc1)C	0.81	1.0
Compound_5174	CC(CCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCC(C)C)O)C	0.32	0.0
Compound_5175	CC(CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C)C	0.78	1.0
Compound_5176	OCC(COCCCCCCCCCCCCCCCC(C)C)O	0.45	0.0
Compound_5177	CC(CCCCCCCCCCCCCCCOP(=O)(O)O)C	0.82	1.0
Compound_5178	C=CC(=O)OCCCCCCCCCCCC(C)C	0.79	1.0
Compound_5179	NCCCCCCCCCCC(C)C	0.35	0.0
Compound_5180	CC(CCCCCCCCCCNCCCCCCCC(C)C)C	0.42	0.0
Compound_5181	CC(CCCCCCCCCCNCCCCCCCCCCC(C)C)C	0.42	0.0
Compound_5182	CC(CCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCC(C)C)C	0.58	1.0
Compound_5183	CC(CCCCCCCCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O)C	0.69	1.0
Compound_5184	CC(CCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCC(C)C)C	0.97	1.0
Compound_5185	CC(CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C)C	0.58	1.0
Compound_5186	CC(CCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C)C	0.58	1.0
Compound_5187	CC(CCCCCCCCCCOC(=O)C)C	0.78	1.0
Compound_5188	CC(CCCCCCCCCCOP(=O)(OCCCCCCCCCCC(C)C)O)C	0.8	1.0
Compound_5189	CC(CCCCCCCCCCOP(Oc1ccccc1)OCCCCCCCCCCC(C)C)C	0.73	1.0
Compound_5190	CC(CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C	0.83	1.0
Compound_5191	CC(CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C)C	0.58	1.0
Compound_5192	CC(CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C)C	0.58	1.0
Compound_5193	CC(OC(=O)CCCCCCCCC(=O)OC(C)C)C	0.73	1.0
Compound_5194	CC(C1CCCCC1)CC(C1CCCCC1)(C)C	0.65	1.0
Compound_5195	CC(C1CCCCC1)CC(C1CCCCC1)(CC(C1CCCCC1)(C)C)C	0.65	1.0
Compound_5196	OC(=O)CCCCCCC(C(=O)O)(CC(C(=O)O)C)C	0.52	1.0
Compound_5197	O=CC(=C(CC1=C(C)CCCC1(C)C)C)C	0.57	1.0
Compound_5198	CC1=CCC(CC1)C(CC1CCCC1=O)C	0.52	1.0
Compound_5199	CC(OC(=O)C)CCC1C(=C)CCCC1(C)C	0.54	1.0
Compound_5200	O=CC(CCC1C(C)CCCC1(C)C)C	0.48	0.0
Compound_5201	OCC(C1CCCCCCCCCCC1)C	0.82	1.0
Compound_5202	CC1OC(C)CN(C1)C1CCCCCCCCCCC1	0.67	1.0
Compound_5203	CC1OC(C)CN(C1)C1CCCCCCCCCCC1	0.67	1.0
Compound_5204	CCCCCCCCCCCCCCCCCC(=O)NCCN(C(=O)CCCCCCCCCCCCCCCCC)CCO	0.22	0.0
Compound_5205	CCCCCCCCCCCCCCCCCC(=O)NCCN(C(=O)CCCCCCCCCCCCCCCCC)CCO	0.22	0.0
Compound_5206	CCCCCCCCCCCCCCCCCC(=O)NCCN(C(=O)CCCCCCCCCCCCCCCCC)CCO	0.22	0.0
Compound_5207	CCCCCCCCCCCCCCCCCC(=O)NCCNC(NC(=O)CCCCCCCCCCCCCCCCC)C	0.25	0.0
Compound_5208	CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN	0.22	0.0
Compound_5209	CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN	0.22	0.0
Compound_5210	CCCCCCCCCCCCCCCCCC(=O)NCCNCCO	0.26	0.0
Compound_5211	CCCCCCCCCCCCCCCCCC(=O)NCCNCCO	0.26	0.0
Compound_5212	CCCCCCCCCCCCCCCCCC(=O)NCCNCCO	0.26	0.0
Compound_5213	CCCCCCCCCCCCCCCCCC(=O)NCCNCCO	0.26	0.0
Compound_5214	CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCCCCC	0.24	0.0
Compound_5215	CCCCCCCCCCCCCCCCCC1=NCCN1CCO	0.29	0.0
Compound_5216	CCCCCCCCCCCCCCCCCC1=NCCN1CCO	0.29	0.0
Compound_5217	CCCCCCCCCCCCCCCCCCN	0.46	0.0
Compound_5218	CCCCCCCCCCCCCCCCCCN	0.46	0.0
Compound_5219	CCCCCCCCCCCCCCCCCCN(C)C	0.61	1.0
Compound_5220	CCCCCCCCCCCCCCCCCCN(C)C	0.61	1.0
Compound_5221	CCCCCCCCCCCCCCCCCCN(C)C	0.61	1.0
Compound_5222	CCCCCCCCCCCCCCN	0.46	0.0
Compound_5223	CCCCCCCCCCCCCCN	0.46	0.0
Compound_5224	CCCCCCCCCCCCCCN(C)C	0.61	1.0
Compound_5225	CCCCCCCCCCCCCCN(C)C	0.61	1.0
Compound_5226	CCCCCCCCCCCCN(C)C	0.61	1.0
Compound_5227	CCCCCCCCCCCCN(C)C	0.61	1.0
Compound_5228	CCCCCCCCCCCCNC(=N)N	0.42	0.0
Compound_5229	CCCCCCCCCCCCNC(=N)N	0.42	0.0
Compound_5230	CC(C(CC1C(C)CCCC1(C)C)C)O	0.39	0.0
Compound_5231	CC(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)O	0.71	1.0
Compound_5232	CC(CCC1=C(C)CCCC1(C)C)O	0.24	0.0
Compound_5233	CC(CCC1C(C)CCCC1(C)C)O	0.27	0.0
Compound_5234	CCC1CCC(CC1)C1CCC(CC1)C#N	0.74	1.0
Compound_5235	CCC1CCC(CC1)C1CCC(CC1)C(Oc1cc(F)c(c(c1)F)F)(F)F	0.68	1.0
Compound_5236	CCC1CCC(CC1)C1CCC(CC1)C(Oc1ccc(c(c1)F)F)(F)F	0.68	1.0
Compound_5237	CCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1F)F)C	0.78	1.0
Compound_5238	CCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)OC(F)(F)F	0.68	1.0
Compound_5239	CCC1CCC(CC1)C1CCC(CC1)c1cc(F)c(c(c1)F)OC(F)F	0.7	1.0
Compound_5240	CCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)C#N	0.72	1.0
Compound_5241	CCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F	0.85	1.0
Compound_5242	C=CCCCCCCCC(=CC)C=O	0.78	1.0
Compound_5243	O=C1CCC2C(=C1)C1CC(C2)C1(C)C	0.59	1.0
Compound_5244	CC1(C)C2CCC3(C1=CCCC3(C)C)C2	0.63	1.0
Compound_5245	OC1CCCC(C1)C1CC2CC1C(=C)C2(C)C	0.05	0.0
Compound_5246	OCCC1CCC2CC1C2(C)C	0.45	0.0
Compound_5247	O=C1C2(CCCC2)C2C(C1(C)CC2)(C)C	0.24	0.0
Compound_5248	OC1(CCCCC1)C1CC2C(C1(C)CC2)(C)C	0.07	0.0
Compound_5249	OC1CCC(CC1)C1CC2C(C1(C)CC2)(C)C	0.04	0.0
Compound_5250	O=CC1(C)CC(C2C1=CCCC2)(C)C	0.55	1.0
Compound_5251	O=C(OC1CC(C)(C)NC(C1)(C)C)CCCCCCCCC(=O)OC1CC(C)(C)NC(C1)(C)C	0.2	0.0
Compound_5252	ON1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C(C1)(C)C)O	0.31	0.0
Compound_5253	O=C1NC2(OC31CC(C)(C)NC(C3)(C)C)CCCCCCCCCCC2	0.29	0.0
Compound_5254	OC1C2(C)CCCC1(C)C1C2CC(C1)(C)C	0.32	0.0
Compound_5255	O=COC12CCCC(C1)(C)CCC1C2CC1(C)C	0.33	0.0
Compound_5256	CC12CCCCC2(O)C(CCC1)(C)C	0.08	0.0
Compound_5257	C=CCCC(=O)C1=CCCC(C1)(C)C	0.65	1.0
Compound_5258	C=CCCC(=O)C1CCCC(C1)(C)C	0.52	1.0
Compound_5259	O=CC1CCC2=C(C1)C(C)(C)CCC2	0.62	1.0
Compound_5260	CC1(O)CCC2=C(C1)CCCC2(C)C	0.31	0.0
Compound_5261	O=CC1CCC2=C(C1)CCCC2(C)C	0.62	1.0
Compound_5262	CC1(O)CCC2C(=C1)CCCC2(C)C	0.31	0.0
Compound_5263	O=CC1C=CC2C(C1)C(C)(C)CCC2	0.63	1.0
Compound_5264	O=C1CC2CCCC(C2CC1(C)C)(C)C	0.2	0.0
Compound_5265	O=CC1C=CC2C(C1)CCCC2(C)C	0.63	1.0
Compound_5266	C=CCC1(O)C(C)(C)CCCCC1(C)C	0.19	0.0
Compound_5267	OCC1(C)CC1CC1CC2C(C1(C)C)(C2)C	0.49	0.0
Compound_5268	CC1(O)CCC2C(=CCCC2(C)C)C1	0.22	0.0
Compound_5269	CC1(O)CCOC2(C1)CCCCC2	0.39	0.0
Compound_5270	CC1=CCC2(C3(C1C3)C(C)(C)CCC2)C	0.64	1.0
Compound_5271	O=C1CCC(CC1)C1CCC(CC1)c1ccc(cc1)C	0.75	1.0
Compound_5272	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCS(=O)(=O)NCCC[N+](C)(C)C)F	0.32	0.0
Compound_5273	CC1=CCCC(=CCC=C(C(CC1)(C)C(=O)C1(C)CCC(=CCCC(=CCC=C1C)C)C)C)C	0.59	1.0
Compound_5274	O=C1CCCC2=C1C(C)(C)C(C2(C)C)C	0.9	1.0
Compound_5275	CC1C(C)(C)C2=C(C1(C)C)CCC1C2OCOC1	0.46	0.0
Compound_5276	CC1C(C)(C)C2=C(C1(C)C)CCCC2	0.67	1.0
Compound_5277	C=CCC1CCC2C(C1=O)C(C)(C)C(C2(C)C)C	0.57	1.0
Compound_5278	O=C1CCCC2C1C(C)(C)C(C2(C)C)C	0.6	1.0
Compound_5279	CC1C(C)(C)C2C(C1(C)C)CCCC2	0.7	1.0
Compound_5280	CC1=CC(C2C(C1)CCC(C2O)(C)C)C	0.4	0.0
Compound_5281	CC(=O)C1(C)CC2C(=CC1C)CCCC2(C)C	0.59	1.0
Compound_5282	OC1CC2CC1C1C2C(C(=C1)C)C	0.33	0.0
Compound_5283	OC1CCC(CC1)C1CC2CC1C(C2(C)C)C	0.12	0.0
Compound_5284	OC1CCCC(C1)C1CC2CC1C(C2(C)C)C	0.1	0.0
Compound_5285	CC1C2CC3CC1C(C(C2)C3=C)O	0.67	1.0
Compound_5286	CC1C2=C(CCCC2)C2C(=O)C1CCC2	0.6	1.0
Compound_5287	CC(=O)C1CCC2=C(C1)C(C)CC2(C)C	0.54	1.0
Compound_5288	CC1CC(C2=CCC(CC12)C(=O)C)(C)C	0.51	1.0
Compound_5289	CC1CC(CC(=O)C2CCCC2=O)CC(C1)(C)C	0.39	0.0
Compound_5290	NC1CCC(CC1C)CC1CCC(C(C1)C)N	0.2	0.0
Compound_5291	O=C1CCC(CC1C)C1C2CCC(C1(C)C)C2	0.18	0.0
Compound_5292	OC1CC(C)C2C(C(=C1)C)CC(=C(C)C)C2	0.31	0.0
Compound_5293	CC1CC=CCCCCCCCCCC(=O)C1	0.72	1.0
Compound_5294	CC1CC2=C(CC1C(=O)C)C(CCC2)(C)C	0.59	1.0
Compound_5295	CC1CC2=C(CC1(C)C(=O)C)CCCC2(C)C	0.59	1.0
Compound_5296	CC(=O)C1(C)CC2C(=CCCC2(C)C)CC1C	0.59	1.0
Compound_5297	CC(=CCC1C(=O)C(C)CC2C1C2(C)C)C	0.6	1.0
Compound_5298	CC1CC2C(CC1=O)C(C)(C)CCC2(C)C	0.2	0.0
Compound_5299	CC1CC2C3CCC(C2CC1=O)C3	0.51	1.0
Compound_5300	CC1CCC(CCC1C(=O)C)(C)C	0.53	1.0
Compound_5301	O=COC1C(C)CCC2(C1(C)CCC=C2C)C	0.42	0.0
Compound_5302	CC1CCC2OC2(CCC2C1CC2(C)C)C	0.55	1.0
Compound_5303	CC1CCCC2(C1(O)CCCC2)C	0.07	0.0
Compound_5304	CC1CCCCCCCCCCC(=O)C1	0.72	1.0
Compound_5305	CC1CCCCCCCCCCCCC(=O)C1	0.72	1.0
Compound_5306	CC1CCCCCCCCCCCCC(C1)O	0.5	0.0
Compound_5307	CC(CCCCCCCCCCCCCCCC1CO1)C	0.72	1.0
Compound_5308	CCC(=NOCC=CCl)C1C(=O)CC(CC1=O)C1CCOCC1	0.34	0.0
Compound_5309	CCC(=O)C1CC=C(CC1C)CCC=C(C)C	0.62	1.0
Compound_5310	CCC(=O)CC(CC(CCC=C(C)C)C)O	0.46	0.0
Compound_5311	CCC(CCCC(CCCC(CCCC(C)C)C)C)(O)C	0.48	0.0
Compound_5312	CCC(NC1CCC(CC1)CC1CCC(CC1)NC(CC)C)C	0.32	0.0
Compound_5313	CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C	0.51	1.0
Compound_5314	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1F)CCC	0.71	1.0
Compound_5315	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)C1CCC(CC1)CC	0.64	1.0
Compound_5316	CCCC1CCC(CC1)C1CCC(CC1)C(F)(F)F	0.8	1.0
Compound_5317	CCCC1CCC(CC1)C1CCC(CC1)C(Oc1ccc(c(c1)F)F)(F)F	0.73	1.0
Compound_5318	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1F)F)C	0.85	1.0
Compound_5319	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)C#N	0.77	1.0
Compound_5320	CCCC1CCC(CC1)C1CCC(CC1)c1cc(F)c(c(c1)F)O	0.74	1.0
Compound_5321	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)OC(F)(F)F	0.73	1.0
Compound_5322	CCCC1CCC(CC1)C1CCC(CC1)c1cc(F)c(c(c1)F)OC(F)F	0.76	1.0
Compound_5323	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)CCC	0.81	1.0
Compound_5324	CCCC1CCC(CC1)C1CCC(CC1)OC(=O)CCC	0.72	1.0
Compound_5325	CCCC1CCC(CC1)C1CCC(CC1)CC	0.74	1.0
Compound_5326	CCCC1CCC(CC1)C1CCC(CC1)CCC=CC	0.7	1.0
Compound_5327	CCCC1CCC(CC1)OC(=O)C1CCC(CC1)C1CCC(CC1)CCC	0.72	1.0
Compound_5328	CCCC1CCC(CC1)OCC1CCC(CC1)C1CCC(CC1)CCC	0.69	1.0
Compound_5329	CCC12CCC(C1)C(C2)C1(O)CCCCC1	0.37	0.0
Compound_5330	CCC1CC2C(C1CC2)C1(O)CCCCC1	0.37	0.0
Compound_5331	CCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1cc(F)c(c(c1)F)F	0.7	1.0
Compound_5332	CCC1CCC(CC1)C1CCC(CC1)C(=O)O	0.71	1.0
Compound_5333	CCC1CCC(CC1)C1CCC(CC1)c1cc(F)c(c(c1)F)F	0.79	1.0
Compound_5334	CCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)F	0.79	1.0
Compound_5335	CCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)C	0.69	1.0
Compound_5336	CCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)OC(F)(F)F	0.77	1.0
Compound_5337	CCC1CCC(CC1)CCC1CCC(CC1)c1cc(F)c(c(c1)F)F	0.79	1.0
Compound_5338	CCC1CCC(CC1)CCC1CCC(CC1)c1ccc(c(c1)F)F	0.79	1.0
Compound_5339	CCSC(CC1CC(=O)C(C(=O)C1)C(=NOCC)CCC)C	0.48	0.0
Compound_5340	CCSC(CC1CC(=O)C(C(=O)C1)C(=O)CCC)C	0.58	1.0
Compound_5341	CCCC(=O)OC(C1CCC(C2=C(C1)C(C)CC2)C)(C)C	0.67	1.0
Compound_5342	CCCC(=O)OCC(=CCCC1(C)C2CC3C1(C)C3C2)C	0.62	1.0
Compound_5343	CCCC(=O)OCC(=CCCC1(C)C2CCC(C1=C)C2)C	0.59	1.0
Compound_5344	CCCC(COC(=O)CCCCCCCCCCCCC(C)C)CCC	0.77	1.0
Compound_5345	CCCC(CCC1C(C)CCC(C1(C)C)C)O	0.46	0.0
Compound_5346	CCCC(CCC1C(C)CCCC1(C)C)O	0.46	0.0
Compound_5347	CCCCC1CCC(CC1)C1CCC(CC1)C#N	0.76	1.0
Compound_5348	CCCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)CCC	0.7	1.0
Compound_5349	CCCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F	0.87	1.0
Compound_5350	CCCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)OC(F)(F)F	0.81	1.0
Compound_5351	CCCCC1CCC(CC1)C1CCC(CC1)CC	0.74	1.0
Compound_5352	CCCCC1CCC(CC1)C(=O)Oc1ccc(c(c1)F)F	0.78	1.0
Compound_5353	CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C#N	0.81	1.0
Compound_5354	CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)OC	0.77	1.0
Compound_5355	CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)OCC	0.91	1.0
Compound_5356	CCCCC1CCC(CC1)C(=O)O	0.77	1.0
Compound_5357	CCCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(cc1)C	0.74	1.0
Compound_5358	CCCCC1CCC(CC1)c1ccc(cc1)C#N	0.73	1.0
Compound_5359	CCCCC1CCC(CC1)C1CCC(=O)CC1	0.82	1.0
Compound_5360	CCCC1CCC(CC1)C1CCC(=O)CC1	0.83	1.0
Compound_5361	CCCC1CCC(CC1)C1CCC(CC1)C#N	0.82	1.0
Compound_5362	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1cc(F)c(c(c1)F)C#N	0.64	1.0
Compound_5363	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1cc(F)c(c(c1)F)F	0.73	1.0
Compound_5364	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_5365	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)C1CCC(CC1)CCC	0.72	1.0
Compound_5366	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)CCC	0.72	1.0
Compound_5367	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)F	0.8	1.0
Compound_5368	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)F	0.87	1.0
Compound_5369	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)C#N	0.82	1.0
Compound_5370	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F	0.9	1.0
Compound_5371	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)c1ccc(c(c1)F)F	0.9	1.0
Compound_5372	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)CC	0.81	1.0
Compound_5373	CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)F	0.89	1.0
Compound_5374	CCCC1CCC(CC1)C1CCC(CC1)OCC	0.69	1.0
Compound_5375	CCCC1CCC(CC1)C1CCC(CC1)CCC=C	0.84	1.0
Compound_5376	CCCC1CCC(CC1)C1CCC(CC1)CO	0.8	1.0
Compound_5377	CCCC1CCC(CC1)C1CCC(CC1)COC	0.76	1.0
Compound_5378	CCCC1CCC(CC1)C1CCC(CC1)O	0.68	1.0
Compound_5379	CCCC1CCC(CC1)CCC1CCC(=O)CC1	0.84	1.0
Compound_5380	CCCC1CCC(CC1)CCC1CCC(CC1)c1cc(F)c(c(c1)F)F	0.87	1.0
Compound_5381	CCCC1CCC(CC1)CCC1CCC(CC1)c1ccc(c(c1)F)F	0.87	1.0
Compound_5382	CCCCC(C(=O)OCCCCCCCCCCCCCC(C)C)CC	0.77	1.0
Compound_5383	CCCCC(C(=O)OCCCCCCCCCCCCCCCC(C)C)CC	0.77	1.0
Compound_5384	CCCCC(C(=NO)C(C(CCCC)CC)O)CC	0.48	0.0
Compound_5385	CCCCC(CC1CCCC(C1)CC(CCCC)CC)CC	0.72	1.0
Compound_5386	CCCCC(CC1CCCC(C1O)CC(CCCC)CC)CC	0.24	0.0
Compound_5387	CCCCC(COC(=O)CCCCCCCCC(=O)OCC(CCCC)CC)CC	0.32	0.0
Compound_5388	CCCCC(COC(=O)CCCCCCCCCC(=O)OCC(CCCC)CC)CC	0.32	0.0
Compound_5389	CCCCC(COC(=O)CCCCCCCCCCC(=O)OCC(CCCC)CC)CC	0.32	0.0
Compound_5390	CCCCC(C(=O)O)CCCCCC(=O)O	0.62	1.0
Compound_5391	CCCCCC1C(CCC1=O)CC(=O)OC	0.64	1.0
Compound_5392	CCCCCC1C(CCC1=O)CC(=O)OC	0.64	1.0
Compound_5393	CCCCCC1CCC(CC1)C1CCC(CC1)C(F)(F)F	0.74	1.0
Compound_5394	CCCCCC1CCC(CC1)C1CCC(CC1)C(Oc1cc(F)c(c(c1)F)F)(F)F	0.67	1.0
Compound_5395	CCCCCC1CCC(CC1)C1CCC(CC1)C(=O)O	0.76	1.0
Compound_5396	CCCCCC1CCC(CC1)C1CCC(CC1)c1cc(F)c(c(c1)F)F	0.78	1.0
Compound_5397	CCCCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)OC(F)(F)F	0.67	1.0
Compound_5398	CCCCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)F	0.81	1.0
Compound_5399	CCCCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)OC(F)(F)F	0.78	1.0
Compound_5400	CCCCCC1CCC(CC1)C1CCC(CC1)CC	0.74	1.0
Compound_5401	CCCCCC1CCC(CC1)C(=O)OC1CCC(CC1)CCC	0.68	1.0
Compound_5402	CCCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C#N	0.81	1.0
Compound_5403	CCCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)CCCCC	0.68	1.0
Compound_5404	CCCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)OC	0.75	1.0
Compound_5405	CCCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)OCC	0.86	1.0
Compound_5406	CCCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)OCC	0.86	1.0
Compound_5407	CCCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)OCCC	0.87	1.0
Compound_5408	CCCCCC1CCC(CC1)C(=O)O	0.8	1.0
Compound_5409	CCCCCC1CCC(CC1)c1ccc(c(c1F)F)OCC	0.66	1.0
Compound_5410	CCCCCC1CCC(CC1)c1ccc(c(c1)F)c1ccc(cc1)C1CCC(CC1)CCC	0.81	1.0
Compound_5411	CCCCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(cc1)OC(F)(F)F	0.82	1.0
Compound_5412	CCCCCC1CCC(CC1)c1ccc(cc1)C#N	0.72	1.0
Compound_5413	CCCCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1F)C1CCC(CC1)CCCCC	0.81	1.0
Compound_5414	CCCCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_5415	CCCCCC1CCC(CC1)c1ccc(cc1)CCC	0.66	1.0
Compound_5416	CCCCCC1CCC(CC1)c1cnc(nc1)c1ccc(cc1)C#N	0.54	1.0
Compound_5417	CCCCCC1CCC(CC1)OC(=O)C1CCC(CC1)C1CCC(CC1)CCC	0.65	1.0
Compound_5418	CCCCCC1CCC(CC1)OC(=O)C1CCC(CC1)C1CCC(CC1)CCCC	0.65	1.0
Compound_5419	CCCCCC1CCC(CC1)OC(=O)C1CCC(CC1)CCC	0.68	1.0
Compound_5420	CCCCCC1CCC(CC1)OCC1CCC(CC1)C1CCC(CC1)CCC	0.66	1.0
Compound_5421	CCCCCC1CCC(CC1)CCC1CCC(CC1)c1cc(F)c(c(c1)F)F	0.78	1.0
Compound_5422	CCCCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1F)F)C	0.76	1.0
Compound_5423	CCCCC1CC(=C)CC(O1)C	0.68	1.0
Compound_5424	CCCCC1CCC(=O)CC1	0.81	1.0
Compound_5425	CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C1CCC(CC1)CCC	0.64	1.0
Compound_5426	CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)F	0.81	1.0
Compound_5427	CCCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(cc1)CC=C	0.71	1.0
Compound_5428	CCCCC1CCC(CC1)c1ccc(cc1)C(=O)O	0.71	1.0
Compound_5429	CCCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)COC	0.82	1.0
Compound_5430	CCCCC1CCC(CC1)c1ccc(cc1)OC(=O)C1CCC(CC1)C1CCC(CC1)CCC	0.64	1.0
Compound_5431	CCCCC1CCC(CC1)c1ccccc1O	0.58	1.0
Compound_5432	CCCCC1CCC(CC1)C1CCC(CC1)C(=O)OC1CCC(CC1)CCC	0.65	1.0
Compound_5433	CCCCC1CCC(CC1)C1CCC(CC1)C(=O)O	0.73	1.0
Compound_5434	CCCCC1CCC(CC1)C1CCC(CC1)C=C	0.74	1.0
Compound_5435	CCCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)F	0.81	1.0
Compound_5436	CCCCC1CCCCC(=O)O1	0.83	1.0
Compound_5437	CCCCCC(=O)CC(CCC=C(C)C)C	0.74	1.0
Compound_5438	CCCCCC(=O)CCCCC	0.91	1.0
Compound_5439	CCCCCC(C1CCCO1)OC(=O)C	0.79	1.0
Compound_5440	CCCCCCC(Oc1c(F)cc(cc1F)c1ccc(cc1)C12CCC(CC1)(CC2)CCCCC)C	0.53	1.0
Compound_5441	CCCCCCC1CCC(CC1)C(=O)O	0.8	1.0
Compound_5442	CCCCCCC1CCC(CC1)c1ccc(cc1)C(=O)O	0.71	1.0
Compound_5443	CCCCCCC1CCC(CC1)c1ccc(cc1)F	0.81	1.0
Compound_5444	CCCCCC1(C)CCC(C1=O)(C)C	0.39	0.0
Compound_5445	CCCCCC1(CCC(CC1)C(=O)Oc1ccccc1)C1CCC(CC1)CCC	0.63	1.0
Compound_5446	CCCCCC1=C(C)CCC1=O	0.6	1.0
Compound_5447	CCCCCc1ccc(cc1)OC(=O)C1CCC(CC1)C1CCC(CC1)CCC	0.64	1.0
Compound_5448	CCCCCc1ccc(cc1)OC(=O)C1CCC(CC1)C1CCC(CC1)CCCC	0.64	1.0
Compound_5449	CCCCCC1=CCCC1=O	0.66	1.0
Compound_5450	CCCCCC12CCC(CC1)(CC2)O	0.54	1.0
Compound_5451	CCCCCC1C(C)CCC1=O	0.54	1.0
Compound_5452	CCCCCC1C(CCC1=O)CC(=O)C	0.55	1.0
Compound_5453	CCCCCC1C(=O)CCC1C(C(=O)OC)C(=O)OC	0.49	0.0
Compound_5454	CCCCCC1CCC(=CC1)C1CCC(CC1)CCC	0.69	1.0
Compound_5455	CCCCCC1CCC(=O)CC1	0.82	1.0
Compound_5456	CCCCCC1CCC(CC1)CC(=O)O	0.69	1.0
Compound_5457	CCCCCC1CCC(CC1)C(=O)Oc1ccc(c(c1)F)C#N	0.63	1.0
Compound_5458	CCCCCC1CCC(CC1)c1ccc(c(c1F)F)OC	0.5	0.0
Compound_5459	CCCCCC1CCC(CC1)c1ccc(c(c1F)F)OCCCC	0.71	1.0
Compound_5460	CCCCCC1CCC(CC1)c1cc(F)c(c(c1)F)C#N	0.72	1.0
Compound_5461	CCCCCC1CCC(CC1)c1ccc(c(c1)F)C#N	0.72	1.0
Compound_5462	CCCCCC1CCC(CC1)c1ccc(c(c1)F)c1cc(F)c(c(c1)F)F	0.85	1.0
Compound_5463	CCCCCC1CCC(CC1)c1ccc(c(c1)F)c1ccc(cc1)CC	0.81	1.0
Compound_5464	CCCCCC1CCC(CC1)c1ccc(cc1)Br	0.86	1.0
Compound_5465	CCCCCC1CCC(CC1)c1ccc(cc1)B(O)O	0.66	1.0
Compound_5466	CCCCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(c(c1F)F)OCC	0.73	1.0
Compound_5467	CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)O	0.71	1.0
Compound_5468	CCCCCC1CCC(CC1)c1ccc(cc1)c1ccc(c(c1F)F)OCC	0.73	1.0
Compound_5469	CCCCCC1CCC(CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F	0.85	1.0
Compound_5470	CCCCCC1CCC(CC1)c1ccc(cc1)c1ccc(c(c1)F)F	0.85	1.0
Compound_5471	CCCCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)C1CCC(CC1)CCC	0.73	1.0
Compound_5472	CCCCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)C1CCC(CC1)CCCCC	0.73	1.0
Compound_5473	CCCCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)CC	0.73	1.0
Compound_5474	CCCCCC1CCC(CC1)c1ccc(cc1)Cl	0.87	1.0
Compound_5475	CCCCCC1CCC(CC1)c1ccc(cc1)F	0.81	1.0
Compound_5476	CCCCCC1CCC(CC1)c1ccc(cc1)I	0.86	1.0
Compound_5477	CCCCCC1CCC(CC1)c1ccc(cc1)N	0.59	1.0
Compound_5478	CCCCCC1CCC(CC1)c1ccc(cc1)O	0.9	1.0
Compound_5479	CCCCCC1CCC(CC1)c1ccc(cc1)OC(=O)C1CCC(CC1)C1CCC(CC1)CCC	0.64	1.0
Compound_5480	CCCCCC1CCC(CC1)c1ccc(cc1)OC	0.39	0.0
Compound_5481	CCCCCC1CCC(CC1)c1ccc(cc1)OCC	0.59	1.0
Compound_5482	CCCCCC1CCC(CC1)C1CCC(=O)CC1	0.8	1.0
Compound_5483	CCCCCC1CCC(CC1)C1CCC(CC1)C#N	0.74	1.0
Compound_5484	CCCCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1cc(F)c(c(c1)F)F	0.69	1.0
Compound_5485	CCCCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N	0.78	1.0
Compound_5486	CCCCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)F	0.77	1.0
Compound_5487	CCCCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)F	0.78	1.0
Compound_5488	CCCCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F	0.85	1.0
Compound_5489	CCCCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)c1ccc(c(c1)F)F	0.85	1.0
Compound_5490	CCCCCC1CCC(CC1)C1CCC(CC1)OC	0.49	0.0
Compound_5491	CCCCCC1CCC(CC1)C1CCC(CC1)OCC	0.66	1.0
Compound_5492	CCCCCC1CCC(CC1)C1CCC(CC1)COC	0.76	1.0
Compound_5493	CCCCCC1CCC(CC1)C1CCC(CC1)O	0.64	1.0
Compound_5494	CCCCCC1CCC(CC1)CCC1CCC(=O)CC1	0.8	1.0
Compound_5495	CCCCCC1CCC(CC1)CCC1CCC(CC1)CC	0.74	1.0
Compound_5496	CCCCCC1CCC(CC1)CCC1CCC(CC1)c1ccc(c(c1)F)F	0.78	1.0
Compound_5497	CCCCCC1CCC(CC1)CO	0.8	1.0
Compound_5498	CCCCCC1CCCC(=O)O1	0.81	1.0
Compound_5499	CCCCCC1CCCC1=O	0.64	1.0
Compound_5500	CCCCCC1CCCC1O	0.35	0.0
Compound_5501	CCCCCCC(=C)CCCC	0.78	1.0
Compound_5502	CCCCCCC(=C)CCCCCC	0.78	1.0
Compound_5503	CCCCCCC(C(=O)O)CCCC	0.94	1.0
Compound_5504	CCCCCCC(COC(=O)c1ccccc1O)CCCC	0.87	1.0
Compound_5505	CCCCCCC(CCCC)CO	0.93	1.0
Compound_5506	CCCCCCC(CCC)O	0.64	1.0
Compound_5507	CCCCCCC(CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.18	0.0
Compound_5508	CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.18	0.0
Compound_5509	CCCCCCC(CCCCCCCCCCC(=O)NCCO)O	0.21	0.0
Compound_5510	CCCCCCC(CCCCCCCCCCC(=O)OCC(CCCC)CC)O	0.43	0.0
Compound_5511	CCCCCCC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.13	0.0
Compound_5512	CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)O)O	0.32	0.0
Compound_5513	CCCCCCC(CCCCCCCCCCCO)O	0.74	1.0
Compound_5514	CCCCCCCC1CCC(CC1)c1ccc(cc1)C#N	0.72	1.0
Compound_5515	CCCCCCC1(C)CCC(=O)O1	0.55	1.0
Compound_5516	CCCCCCC1=CCCC1=O	0.66	1.0
Compound_5517	CCCCCCC1C(=O)CCC1C(=O)OC	0.64	1.0
Compound_5518	CCCCCCC1C=CC(C(C1CCCCCC)C=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C)CCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C	0.65	1.0
Compound_5519	CCCCCCC1CCC(=O)O1	0.78	1.0
Compound_5520	CCCCCCC1CCC(CC1)c1ccc(cc1)C#N	0.72	1.0
Compound_5521	CCCCCCC1CCC(CC1)c1ccc(cc1)O	0.9	1.0
Compound_5522	CCCCCCC1CCCC(=O)O1	0.81	1.0
Compound_5523	CCCCCCC1CCCC1=O	0.64	1.0
Compound_5524	CCCCCCC1CCCCC(=O)O1	0.83	1.0
Compound_5525	CCCCCCCC(=O)CC	0.91	1.0
Compound_5526	CCCCCCCC(=O)CC(=O)c1ccccc1	0.75	1.0
Compound_5527	CCCCCCCC(=O)CCCC(=O)OC	0.7	1.0
Compound_5528	CCCCCCCC(=O)CCO	0.7	1.0
Compound_5529	CCCCCCCCC=CCCCCCCCCCC(=O)O	0.43	0.0
Compound_5530	CCCCCCCCC=CCCCCCCCCCCCC(=O)OC	0.82	1.0
Compound_5531	CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC	0.84	1.0
Compound_5532	CCCCCCCCC=CCCCCCCCCCCCC(=O)N	0.35	0.0
Compound_5533	CCCCCCCCC=CCCCCCCCCCCCC(=O)O	0.43	0.0
Compound_5534	CCCCCCCCC=CCCCCCCCCCCCCO	0.79	1.0
Compound_5535	O=C=NCCCCCCCCCC1CCC(C(C1CCCCCCCCCN=C=O)CCCCCCC)CCCCC	0.31	0.0
Compound_5536	CCCCCCCC1CC(OC1=O)C	0.6	1.0
Compound_5537	CCCCCCCC1CCC(=O)O1	0.78	1.0
Compound_5538	CCCCCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)F	0.81	1.0
Compound_5539	CCCCCCCC1CCC(CC1)C(=O)O	0.8	1.0
Compound_5540	CCCCCCCC1CCC(CC1)c1ccc(c(c1)F)F	0.78	1.0
Compound_5541	CCCCCCCC1CCC(CC1)c1ccc(cc1)F	0.81	1.0
Compound_5542	CCCCCCCC1CCC(CC1)C1CCC(CC1)C#N	0.74	1.0
Compound_5543	CCCCCCCC1CCCC(=O)O1	0.81	1.0
Compound_5544	CCCCCCCC1CCCC1=O	0.64	1.0
Compound_5545	CCCCCCCC1CCCO1	0.94	1.0
Compound_5546	CCCCCCCCC(=C)CC	0.78	1.0
Compound_5547	CCCCCCCCC(=C)CCCC	0.78	1.0
Compound_5548	CCCCCCCCC(=C)CCCCCC	0.78	1.0
Compound_5549	CCCCCCCCC(=C)CCCCCCCC	0.78	1.0
Compound_5550	CCCCCCCCC(=CC)C=O	0.78	1.0
Compound_5551	CCCCCCCCC(=O)C	0.91	1.0
Compound_5552	CCCCCCCCC(C#N)C	0.86	1.0
Compound_5553	CCCCCCCCC(C=O)C	0.89	1.0
Compound_5554	CCCCCCCCC(O)C	0.64	1.0
Compound_5555	CCCCCCCCC(COC(=O)CCCCC(=O)OCC(CCCCCCCC)CCCCCC)CCCCCC	0.32	0.0
Compound_5556	CCCCCCCCC(COC(=O)CCCCCC(C)C)CCCCCC	0.77	1.0
Compound_5557	CCCCCCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC)CCCCCC	0.32	0.0
Compound_5558	CCCCCCCCC(CCCCCC)COCC(CCCCCCCC)CCCCCC	0.82	1.0
Compound_5559	CCCCCCCCC(OS(=O)(=O)O)CCCCCCCCC(=O)OC(C)C	0.59	1.0
Compound_5560	CCCCCCCCC(CCCCCC)CO	0.93	1.0
Compound_5561	CCCCCCCCC(CCCCCCCC)CO	0.93	1.0
Compound_5562	NCCNCCNCCNCCNC(=O)CCCCCCCC(C(CCCCCCCC)O)NCCNCCNCCNCCN	0.21	0.0
Compound_5563	CCCCCCCCC(C(CCCCCCCC(=O)OC)O)O	0.57	1.0
Compound_5564	CCCCCCCCC(CO)O	0.73	1.0
Compound_5565	CCCCCCCCCC=CC=O	0.95	1.0
Compound_5566	CCCCCCCCCC=CC=O	0.95	1.0
Compound_5567	CCCCCCCCCC=CCCCCC(=O)O	0.43	0.0
Compound_5568	CCCCCCCCC=CCCCCCCCCC(CCCCCCC=CCCCCCCCC)CO	0.88	1.0
Compound_5569	CCCCCCCCC1CCC(=O)O1	0.78	1.0
Compound_5570	CCCCCCCCC1CCCC(=O)O1	0.81	1.0
Compound_5571	CCCCCCCCC1CCCO1	0.94	1.0
Compound_5572	CCCCCCCCC1CO1	0.91	1.0
Compound_5573	CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC	0.62	1.0
Compound_5574	CCCCCCCCC1OC1CCCCCCCC(=O)OCCCC	0.7	1.0
Compound_5575	CCCCCCCCC1OC1CCCCCCCC(=O)OCCCCCC(C)C	0.61	1.0
Compound_5576	CCCCCCCCCC	0.98	1.0
Compound_5577	CCCCCCCCCC	0.98	1.0
Compound_5578	CCCCCCCCCC#N	0.73	1.0
Compound_5579	CCCCCCCCCC(=CC)C=O	0.78	1.0
Compound_5580	CCCCCCCCCC(=O)CC	0.91	1.0
Compound_5581	CCCCCCCCCC(=O)CCCCCCCCC	0.91	1.0
Compound_5582	CCCCCCCCCC(=O)N(C)C	0.54	1.0
Compound_5583	CCCCCCCCCC(=O)N1CCOCC1	0.29	0.0
Compound_5584	CCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.27	0.0
Compound_5585	CCCCCCCCCC(=O)OC	0.85	1.0
Compound_5586	CCCCCCCCCC(=O)OC(C)C	0.75	1.0
Compound_5587	CCCCCCCCCC(=O)OC(C(N(=O)=O)(C(O)C)Br)C	0.46	0.0
Compound_5588	CCCCCCCCCC(=O)OCC	0.86	1.0
Compound_5589	CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(C)C	0.51	1.0
Compound_5590	CCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCC)C	0.35	0.0
Compound_5591	CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)CC)(COC(=O)CCCCCCC)CC)CC	0.43	0.0
Compound_5592	CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)CC	0.43	0.0
Compound_5593	CCCCCCCCCC(=O)OCC(CCCC)CC	0.78	1.0
Compound_5594	CCCCCCCCCC(=O)OCC(COC(=O)C(CCCC)CC)(CO)CO	0.4	0.0
Compound_5595	CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC	0.43	0.0
Compound_5596	CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC	0.43	0.0
Compound_5597	CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC	0.22	0.0
Compound_5598	CCCCCCCCCC(=O)OCCC(C)C	0.77	1.0
Compound_5599	CCCCCCCCCC(=O)OCCCCC	0.86	1.0
Compound_5600	CCCCCCCCCC(=O)OCCCCCCCC	0.86	1.0
Compound_5601	CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC	0.55	1.0
Compound_5602	CCCCCCCCCC(=O)OCCS	0.85	1.0
Compound_5603	CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC	0.67	1.0
Compound_5604	CCCCCCCCCC(SSC(CCCCCCCCC)(C)C)(C)C	0.72	1.0
Compound_5605	CCCCCCCCCC(SSc1nnc(s1)SSC(CCCCCCCCC)(C)C)(C)C	0.43	0.0
Compound_5606	CCCCCCCCCC(=O)C	0.91	1.0
Compound_5607	CCCCCCCCCC(C(OC)OC)C	0.8	1.0
Compound_5608	CCCCCCCCCC(C=Nc1ccccc1C(=O)OC)C	0.57	1.0
Compound_5609	CCCCCCCCCC(C=O)C	0.89	1.0
Compound_5610	CCCCCCCCCC(CC#N)C	0.74	1.0
Compound_5611	CCCCCCCCCC(CO)C	0.93	1.0
Compound_5612	CCCCCCCCCC(O)C	0.64	1.0
Compound_5613	CCCCCCCCCC(OC(=O)C)C	0.79	1.0
Compound_5614	CCCCCCCCCC(C(CCCCCCCCC(=O)O)CCCCCCCC)CCCCCCCC(=O)O	0.61	1.0
Compound_5615	CCCCCCCCCC(CCCCCCC)CO	0.93	1.0
Compound_5616	CCCCCCCCCC(OC)OC	0.77	1.0
Compound_5617	CCCCCCCCCC(OCC)OCC	0.76	1.0
Compound_5618	CCCCCCCCCCN(=O)(C)C	0.5	0.0
Compound_5619	CCCCCCCCCC[Si](Cl)(Cl)Cl	0.86	1.0
Compound_5620	CCCCCCCCCC[Si](OC)(OC)OC	0.73	1.0
Compound_5621	CCCCCCCCCCC=CC=O	0.95	1.0
Compound_5622	CCCCCCCCCCC=CC=O	0.95	1.0
Compound_5623	CCCCCCCCCC=C	0.89	1.0
Compound_5624	CCCCCCCCCC=CCC(C(=O)O)CC(=O)N(CC)CC	0.38	0.0
Compound_5625	CCCCCCCCCC=CCC1CC(=O)OC1=O	0.54	1.0
Compound_5626	CCCCCCCCCC=CCO	0.84	1.0
Compound_5627	CCCCCCCCCC=Nc1ccccc1C(=O)OC	0.47	0.0
Compound_5628	CCCCCCCCCC=O	0.98	1.0
Compound_5629	CCCCCCCCCC1=NCCN1CCO	0.29	0.0
Compound_5630	CCCCCCCCCC1=NCCO1	0.34	0.0
Compound_5631	CCCCCCCCCC1CCC(CC1)O	0.65	1.0
Compound_5632	CCCCCCCCCC1CCCC(=O)O1	0.81	1.0
Compound_5633	CCCCCCCCCCBr	0.95	1.0
Compound_5634	CCCCCCCCCCC	0.98	1.0
Compound_5635	CCCCCCCCCCC(=C)CC	0.78	1.0
Compound_5636	CCCCCCCCCCC(=C)CCCC	0.78	1.0
Compound_5637	CCCCCCCCCCC(=C)CCCCCC	0.78	1.0
Compound_5638	CCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5639	CCCCCCCCCCC(=O)OCC	0.86	1.0
Compound_5640	CCCCCCCCCCC([N+](C)(C)C)C(=O)[O-]	0.43	0.0
Compound_5641	CCCCCCCCCCC(C#C)(O)C	0.56	1.0
Compound_5642	CCCCCCCCCCC(=O)C	0.91	1.0
Compound_5643	CCCCCCCCCCC(C=O)C	0.89	1.0
Compound_5644	CCCCCCCCCCC(NC(=O)C=C)C	0.38	0.0
Compound_5645	CCCCCCCCCCC(O)C	0.64	1.0
Compound_5646	CCCCCCCCCCC(COC(=O)CCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC)CCCCCCCC	0.32	0.0
Compound_5647	CCCCCCCCCCC(COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC	0.79	1.0
Compound_5648	CCCCCCCCCCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)CCCCCCCC	0.34	0.0
Compound_5649	CCCCCCCCCCC(COC(=O)CCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC)CCCCCCCC	0.32	0.0
Compound_5650	CCCCCCCCCCC(CCCCCC)CO	0.93	1.0
Compound_5651	CCCCCCCCCCC(CCCCCCCC)CO	0.93	1.0
Compound_5652	CCCCCCCCCCC(CCCCCCCC)CO	0.93	1.0
Compound_5653	CCCCCCCCCCC(=O)O	0.65	1.0
Compound_5654	CCCCCCCCCCC(CNCCO)O	0.39	0.0
Compound_5655	CCCCCCCCCCC(CO)O	0.73	1.0
Compound_5656	CCCCCCCCCCC(COCC(CO)O)O	0.49	0.0
Compound_5657	CCCCCCCCCCC(CS)O	0.67	1.0
Compound_5658	CCCCCCCCCCCC=CCCCCCCCCCC1CC(=O)OC1=O	0.54	1.0
Compound_5659	CCCCCCCCCCC=C	0.89	1.0
Compound_5660	CCCCCCCCCCC=CC#N	0.84	1.0
Compound_5661	CCCCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_5662	CCCCCCCCCCC=O	0.98	1.0
Compound_5663	CCCCCCCCCCC1OC1	0.91	1.0
Compound_5664	CCCCCCCCCCCC	0.98	1.0
Compound_5665	CCCCCCCCCCCC	0.98	1.0
Compound_5666	CCCCCCCCCCCC	0.98	1.0
Compound_5667	CCCCCCCCCCCC#N	0.73	1.0
Compound_5668	CCCCCCCCCCCC(=O)N(C)C	0.54	1.0
Compound_5669	CCCCCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.27	0.0
Compound_5670	CCCCCCCCCCCC(=O)N(CC(=O)OC(C)C)C	0.43	0.0
Compound_5671	CCCCCCCCCCCC(=O)N(CC)CC	0.64	1.0
Compound_5672	CCCCCCCCCCCC(=O)NC(C(=O)NCCCC)CCC(=O)NCCCC	0.24	0.0
Compound_5673	CCCCCCCCCCCC(=O)NCC(O)C	0.21	0.0
Compound_5674	CCCCCCCCCCCC(=O)NCCC(=O)O	0.16	0.0
Compound_5675	CCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.27	0.0
Compound_5676	CCCCCCCCCCCC(=O)NCCCCC(C(=O)O)N	0.11	0.0
Compound_5677	CCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.34	0.0
Compound_5678	CCCCCCCCCCCC(=O)NCCO	0.26	0.0
Compound_5679	CCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5680	CCCCCCCCCCCC(=O)OC(C)C	0.75	1.0
Compound_5681	CCCCCCCCCCCC(=O)OC=C	0.81	1.0
Compound_5682	CCCCCCCCCCCC(=O)OCC	0.86	1.0
Compound_5683	CCCCCCCCCCCC(=O)OCC(C)C	0.77	1.0
Compound_5684	CCCCCCCCCCCC(=O)OCC(O)C	0.8	1.0
Compound_5685	CCCCCCCCCCCC(=O)OCC(CO)(CO)CC	0.57	1.0
Compound_5686	CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)CC	0.43	0.0
Compound_5687	CCCCCCCCCCCC(=O)OCC(CCCC)CC	0.78	1.0
Compound_5688	CCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC	0.78	1.0
Compound_5689	CCCCCCCCCCCC(=O)OCC(CO)(CO)CO	0.64	1.0
Compound_5690	CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC	0.22	0.0
Compound_5691	CCCCCCCCCCCC(=O)OCC(CO)O	0.38	0.0
Compound_5692	CCCCCCCCCCCC(=O)OCC(COCC(CO)O)O	0.39	0.0
Compound_5693	CCCCCCCCCCCC(=O)OCc1ccccc1	0.87	1.0
Compound_5694	CCCCCCCCCCCC(=O)OCCC	0.86	1.0
Compound_5695	CCCCCCCCCCCC(=O)OCCC(C)C	0.77	1.0
Compound_5696	CCCCCCCCCCCC(=O)OCCCC	0.86	1.0
Compound_5697	CCCCCCCCCCCC(=O)OCCCCCC	0.86	1.0
Compound_5698	CCCCCCCCCCCC(=O)OCCCCCCCC	0.86	1.0
Compound_5699	CCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C	0.77	1.0
Compound_5700	CCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCC	0.58	1.0
Compound_5701	CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC	0.58	1.0
Compound_5702	CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC	0.67	1.0
Compound_5703	CCCCCCCCCCCC(=O)C	0.91	1.0
Compound_5704	CCCCCCCCCCCC(O)C	0.64	1.0
Compound_5705	CCCCCCCCCCCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)CCCCCCCC	0.79	1.0
Compound_5706	CCCCCCCCCCCC(=O)Cl	0.92	1.0
Compound_5707	CCCCCCCCCCCC(=O)N	0.4	0.0
Compound_5708	CCCCCCCCCCCC(CCCCCCCC)O	0.64	1.0
Compound_5709	CCCCCCCCCCCC(O)O	0.63	1.0
Compound_5710	CCCCCCCCCCCC(OC)OC	0.77	1.0
Compound_5711	CCCCCCCCCCCCN(=O)(C)C	0.5	0.0
Compound_5712	CCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.38	0.0
Compound_5713	CCCCCCCCCCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.39	0.0
Compound_5714	CCCCCCCCCCCC[Se]CCCCCCCCCCCC	0.96	1.0
Compound_5715	CCCCCCCCCCCC[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C	0.79	1.0
Compound_5716	CCCCCCCCCCCC[Si](OCC)(OCC)C	0.78	1.0
Compound_5717	CCCCCCCCCCCC[Si](Cl)(Cl)Cl	0.86	1.0
Compound_5718	CCCCCCCCCCCC[Si](OCC)(OCC)OCC	0.83	1.0
Compound_5719	CCCCCCCCCCCC=CCC1CC(=O)OC1=O	0.54	1.0
Compound_5720	CCCCCCCCCCCC=O	0.98	1.0
Compound_5721	CCCCCCCCCCCc1ccc(cc1)c1ncc(cn1)CCCCCC	0.55	1.0
Compound_5722	CCCCCCCCCCCc1[nH]cc(n1)C	0.25	0.0
Compound_5723	CCCCCCCCCCCc1nc(c([nH]1)C)Cc1nc([nH]c1C)CCCCCCCCCCC	0.18	0.0
Compound_5724	CCCCCCCCCCCc1[nH]ccn1	0.24	0.0
Compound_5725	CCCCCCCCCCCc1nccn1CCC#N	0.24	0.0
Compound_5726	CCCCCCCCCCCc1nccn1CCc1nc(N)nc(n1)N	0.11	0.0
Compound_5727	CCCCCCCCCCCC1=NCCN1	0.24	0.0
Compound_5728	CCCCCCCCCCCC1=NCCN1CCO	0.29	0.0
Compound_5729	CCCCCCCCCCCC1=NCCO1	0.34	0.0
Compound_5730	CCCCCCCCCCCC1CCCC(=O)O1	0.81	1.0
Compound_5731	CCCCCCCCCCCCBr	0.95	1.0
Compound_5732	CCCCCCCCCCCCC(=C)CC	0.78	1.0
Compound_5733	CCCCCCCCCCCCC(=C)CCCC	0.78	1.0
Compound_5734	CCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5735	CCCCCCCCCCCCC(=O)OCC	0.86	1.0
Compound_5736	CCCCCCCCCCCCC([Si](C(C(=O)O)CCCCCCCCCCCC)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C)C(=O)O	0.64	1.0
Compound_5737	CCCCCCCCCCCCC(O)C	0.64	1.0
Compound_5738	CCCCCCCCCCCCC(COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCCC	0.79	1.0
Compound_5739	CCCCCCCCCCCCC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)CCCCCCCCCC	0.79	1.0
Compound_5740	CCCCCCCCCCCCC(CCCCCCCCCC)CO	0.93	1.0
Compound_5741	CCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_5742	CCCCCCCCCCCCC(CNCCO)O	0.39	0.0
Compound_5743	CCCCCCCCCCCCCC=CCCCCCCCC	0.92	1.0
Compound_5744	CCCCCCCCCCCCCC=CC(C(CO)N)O	0.32	0.0
Compound_5745	CCCCCCCCCCCCCC=CC(C(NC(=O)CCCCC)CO)O	0.18	0.0
Compound_5746	CCCCCCCCCCCCCC=CC(C(N(C)C)CO)O	0.5	0.0
Compound_5747	CCCCCCCCCCCCC=C	0.89	1.0
Compound_5748	CCCCCCCCCCCCC=O	0.98	1.0
Compound_5749	CCCCCCCCCCCCc1ccccc1Nc1cccc2c1cccc2	0.36	0.0
Compound_5750	CCCCCCCCCCCCc1ccc(c(c1)C=NO)O	0.55	1.0
Compound_5751	CCCCCCCCCCCCc1cc(C)cc(c1O)n1nc2c(n1)cccc2	0.46	0.0
Compound_5752	CCCCCCCCCCCCc1ccc(c(c1)C=O)O	0.72	1.0
Compound_5753	CCCCCCCCCCCCc1ccc(cc1)C(=O)C(O)(C)C	0.51	1.0
Compound_5754	CCCCCCCCCCCCc1ccc(cc1)N	0.66	1.0
Compound_5755	CCCCCCCCCCCCc1ccc(cc1)O	0.91	1.0
Compound_5756	CCCCCCCCCCCCc1ccccc1	0.74	1.0
Compound_5757	CCCCCCCCCCCCc1ccccc1S(=O)(=O)OC	0.52	1.0
Compound_5758	CCCCCCCCCCCCC1CC(=O)OC1=O	0.59	1.0
Compound_5759	CCCCCCCCCCCCC1CO1	0.91	1.0
Compound_5760	CCCCCCCCCCCCCC	0.98	1.0
Compound_5761	CCCCCCCCCCCCCC	0.98	1.0
Compound_5762	CCCCCCCCCCCCCC	0.98	1.0
Compound_5763	CCCCCCCCCCCCCC#N	0.73	1.0
Compound_5764	CCCCCCCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.27	0.0
Compound_5765	CCCCCCCCCCCCCC(=O)NCC(O)C	0.21	0.0
Compound_5766	CCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.27	0.0
Compound_5767	CCCCCCCCCCCCCC(=O)NCCO	0.26	0.0
Compound_5768	CCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5769	CCCCCCCCCCCCCC(=O)OC(C)C	0.75	1.0
Compound_5770	CCCCCCCCCCCCCC(=O)OC(C(CCC(C)C)CCC(C)C)C	0.75	1.0
Compound_5771	CCCCCCCCCCCCCC(=O)OCC	0.86	1.0
Compound_5772	CCCCCCCCCCCCCC(=O)OCC(CCCC)CC	0.78	1.0
Compound_5773	CCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.78	1.0
Compound_5774	CCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO	0.64	1.0
Compound_5775	CCCCCCCCCCCCCC(=O)OCC(CO)O	0.38	0.0
Compound_5776	CCCCCCCCCCCCCC(=O)OCCCC	0.86	1.0
Compound_5777	CCCCCCCCCCCCCC(=O)OCCCCCCCCCC	0.86	1.0
Compound_5778	CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C	0.77	1.0
Compound_5779	CCCCCCCCCCCCCC(=O)C	0.91	1.0
Compound_5780	CCCCCCCCCCCCCC(C(=O)OCC(COC(=O)C(CCCCCCCCCCCCC)C)(COC(=O)C(CCCCCCCCCCCCC)C)CC)C	0.57	1.0
Compound_5781	CCCCCCCCCCCCCC(CCCC)O	0.64	1.0
Compound_5782	CCCCCCCCCCCCCCN(=O)(C)C	0.5	0.0
Compound_5783	CCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.38	0.0
Compound_5784	CCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.53	1.0
Compound_5785	CCCCCCCCCCCCCC[N+]1(CC)CCOCC1	0.28	0.0
Compound_5786	CCCCCCCCCCCCCC=CC(C(=O)O)CC(=O)O	0.4	0.0
Compound_5787	CCCCCCCCCCCCCC=CC1CC(=O)OC1=O	0.54	1.0
Compound_5788	CCCCCCCCCCCCCC=O	0.98	1.0
Compound_5789	CCCCCCCCCCCCCc1ccccc1	0.74	1.0
Compound_5790	CCCCCCCCCCCCCC1CO1	0.91	1.0
Compound_5791	CCCCCCCCCCCCCCBr	0.95	1.0
Compound_5792	CCCCCCCCCCCCCCC	0.98	1.0
Compound_5793	CCCCCCCCCCCCCCC(=C)CC	0.78	1.0
Compound_5794	CCCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5795	CCCCCCCCCCCCCCC([N+](C)(C)C)C(=O)[O-]	0.43	0.0
Compound_5796	CCCCCCCCCCCCCCC(c1cc(O)c(cc1O)C)C	0.36	0.0
Compound_5797	CCCCCCCCCCCCCCC(c1cc(C)cc(c1O)C)C	0.08	0.0
Compound_5798	CCCCCCCCCCCCCCC(O)C	0.64	1.0
Compound_5799	CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO	0.93	1.0
Compound_5800	CCCCCCCCCCCCCCC(CO)O	0.73	1.0
Compound_5801	CCCCCCCCCCCCCCC(COP(=O)(O)O)O	0.64	1.0
Compound_5802	CCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5803	CCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCC	0.68	1.0
Compound_5804	CCCCCCCCCCCCCCc1c(CCCCCCCCCCCCCC)cccc1Oc1ccccc1	0.56	1.0
Compound_5805	CCCCCCCCCCCCCCc1ccccc1Oc1ccccc1	0.7	1.0
Compound_5806	CCCCCCCCCCCCCCC1OC1	0.91	1.0
Compound_5807	CCCCCCCCCCCCCCCC	0.98	1.0
Compound_5808	CCCCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.35	0.0
Compound_5809	CCCCCCCCCCCCCCCC(=O)NC(C(=O)OCC)CC(=O)OCC	0.19	0.0
Compound_5810	CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)O	0.18	0.0
Compound_5811	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.27	0.0
Compound_5812	CCCCCCCCCCCCCCCC(=O)NCCCCCCCCC=CCCCCCCCC	0.33	0.0
Compound_5813	CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC	0.23	0.0
Compound_5814	CCCCCCCCCCCCCCCC(=O)NCCNCCO	0.26	0.0
Compound_5815	CCCCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5816	CCCCCCCCCCCCCCCC(=O)OC(C)C	0.75	1.0
Compound_5817	CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=O)C(=O)C1O)O	0.52	1.0
Compound_5818	CCCCCCCCCCCCCCCC(=O)OCC=C(CCC=C(C)C)C	0.91	1.0
Compound_5819	CCCCCCCCCCCCCCCC(=O)OC=C	0.81	1.0
Compound_5820	CCCCCCCCCCCCCCCC(=O)OCC	0.86	1.0
Compound_5821	CCCCCCCCCCCCCCCC(=O)OCC(C)C	0.77	1.0
Compound_5822	CCCCCCCCCCCCCCCC(=O)OCC(O)C	0.8	1.0
Compound_5823	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)C	0.35	0.0
Compound_5824	CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CC	0.57	1.0
Compound_5825	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)CC	0.43	0.0
Compound_5826	CCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC	0.78	1.0
Compound_5827	CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC	0.78	1.0
Compound_5828	CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.78	1.0
Compound_5829	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)(CO)CO	0.52	1.0
Compound_5830	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	0.22	0.0
Compound_5831	CCCCCCCCCCCCCCCC(=O)OCC(CO)O	0.38	0.0
Compound_5832	CCCCCCCCCCCCCCCC(=O)OCc1cnc(c(c1COC(=O)CCCCCCCCCCCCCCC)O)C	0.29	0.0
Compound_5833	CCCCCCCCCCCCCCCC(=O)OCc1cnc(c(c1COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C	0.33	0.0
Compound_5834	CCCCCCCCCCCCCCCC(=O)OCCCC	0.86	1.0
Compound_5835	CCCCCCCCCCCCCCCC(=O)OCCCCCC	0.86	1.0
Compound_5836	CCCCCCCCCCCCCCCC(=O)OCCCCCCCC	0.86	1.0
Compound_5837	CCCCCCCCCCCCCCCC(=O)OCCCCCCCCC	0.86	1.0
Compound_5838	CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC	0.86	1.0
Compound_5839	CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC	0.86	1.0
Compound_5840	CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC	0.86	1.0
Compound_5841	CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC	0.86	1.0
Compound_5842	CCCCCCCCCCCCCCCC(=O)OCCO	0.85	1.0
Compound_5843	CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC	0.58	1.0
Compound_5844	CCCCCCCCCCCCCCCC(=O)N	0.4	0.0
Compound_5845	CCCCCCCCCCCCCCCCN(=O)(C)C	0.5	0.0
Compound_5846	CCCCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.38	0.0
Compound_5847	CCCCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.53	1.0
Compound_5848	CCCCCCCCCCCCCCCC[Si](OC)(OC)OC	0.73	1.0
Compound_5849	CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC	0.83	1.0
Compound_5850	CCCCCCCCCCCCCCCC=CC1=NCCN1CCO	0.27	0.0
Compound_5851	CCCCCCCCCCCCCCCC=CCC(C(=O)O)CC(=O)O	0.44	0.0
Compound_5852	CCCCCCCCCCCCCCCC1OC1	0.91	1.0
Compound_5853	CCCCCCCCCCCCCCCCBr	0.95	1.0
Compound_5854	CCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5855	CCCCCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5856	CCCCCCCCCCCCCCCCC([N+](C)(C)C)C(=O)[O-]	0.43	0.0
Compound_5857	CCCCCCCCCCCCCCCCC(c1ccccc1C)C(=O)O	0.61	1.0
Compound_5858	CCCCCCCCCCCCCCCCC(C(=O)OCC(CO)O)CC(CO)O	0.32	0.0
Compound_5859	CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO	0.93	1.0
Compound_5860	CCCCCCCCCCCCCCCCC(CO)O	0.73	1.0
Compound_5861	CCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5862	CCCCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCC	0.68	1.0
Compound_5863	CCCCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCCCC	0.68	1.0
Compound_5864	CCCCCCCCCCCCCCCCc1ccccc1O	0.16	0.0
Compound_5865	CCCCCCCCCCCCCCCCc1cccc2c1cccc2	0.85	1.0
Compound_5866	CCCCCCCCCCCCCCCCc1ccc(cc1)O	0.91	1.0
Compound_5867	CCCCCCCCCCCCCCCCC1C(=O)OC1=CCCCCCCCCCCCCCC	0.68	1.0
Compound_5868	CCCCCCCCCCCCCCCCC1CO1	0.91	1.0
Compound_5869	CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1	0.75	1.0
Compound_5870	CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC	0.91	1.0
Compound_5871	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.27	0.0
Compound_5872	CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.33	0.0
Compound_5873	CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.33	0.0
Compound_5874	CCCCCCCCCCCCCCCCCC(=O)NCCN	0.22	0.0
Compound_5875	CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC	0.29	0.0
Compound_5876	CCCCCCCCCCCCCCCCCC(=O)NCCN(C(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCO)CCO	0.21	0.0
Compound_5877	CCCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCCCC	0.21	0.0
Compound_5878	CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC	0.2	0.0
Compound_5879	CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC	0.23	0.0
Compound_5880	CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC	0.22	0.0
Compound_5881	CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC	0.22	0.0
Compound_5882	CCCCCCCCCCCCCCCCCC(=O)NCCO	0.26	0.0
Compound_5883	CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CCCCCCCCCCCCCCCCC	0.2	0.0
Compound_5884	CCCCCCCCCCCCCCCCCC(=O)NCCOCCO	0.26	0.0
Compound_5885	CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC	0.34	0.0
Compound_5886	CCCCCCCCCCCCCCCCCC(=O)NN	0.34	0.0
Compound_5887	CCCCCCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5888	CCCCCCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5889	CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.39	0.0
Compound_5890	CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCCCCCCCCCC	0.35	0.0
Compound_5891	CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O	0.38	0.0
Compound_5892	CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O	0.38	0.0
Compound_5893	CCCCCCCCCCCCCCCCCC(=O)OC=C	0.81	1.0
Compound_5894	CCCCCCCCCCCCCCCCCC(=O)OCC	0.86	1.0
Compound_5895	CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)C	0.75	1.0
Compound_5896	CCCCCCCCCCCCCCCCCC(=O)OCC(C)C	0.77	1.0
Compound_5897	CCCCCCCCCCCCCCCCCC(=O)OCC(O)C	0.8	1.0
Compound_5898	CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C	0.35	0.0
Compound_5899	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(CO)CC	0.41	0.0
Compound_5900	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)CC	0.43	0.0
Compound_5901	CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC	0.78	1.0
Compound_5902	CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.78	1.0
Compound_5903	CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC	0.79	1.0
Compound_5904	CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO	0.64	1.0
Compound_5905	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(CO)CO	0.52	1.0
Compound_5906	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)CO	0.41	0.0
Compound_5907	CCCCCCCCCCCCCCCCCC(=O)OCC(COCOCC(CO)O)CO	0.41	0.0
Compound_5908	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.43	0.0
Compound_5909	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.22	0.0
Compound_5910	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(=O)O)O	0.34	0.0
Compound_5911	CCCCCCCCCCCCCCCCCC(=O)OCC=C	0.82	1.0
Compound_5912	CCCCCCCCCCCCCCCCCC(=O)OCCCC	0.86	1.0
Compound_5913	CCCCCCCCCCCCCCCCCC(=O)OCCCCCC	0.86	1.0
Compound_5914	CCCCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C	0.77	1.0
Compound_5915	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC	0.86	1.0
Compound_5916	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC(C)C	0.77	1.0
Compound_5917	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC	0.86	1.0
Compound_5918	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC	0.86	1.0
Compound_5919	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC	0.86	1.0
Compound_5920	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC	0.86	1.0
Compound_5921	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC	0.86	1.0
Compound_5922	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC	0.86	1.0
Compound_5923	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC	0.86	1.0
Compound_5924	CCCCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.58	1.0
Compound_5925	CCCCCCCCCCCCCCCCCC(=O)OCCO	0.85	1.0
Compound_5926	CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC	0.58	1.0
Compound_5927	CCCCCCCCCCCCCCCCCC(=O)OCCOCCCC	0.86	1.0
Compound_5928	CCCCCCCCCCCCCCCCCC(=O)Cl	0.92	1.0
Compound_5929	CCCCCCCCCCCCCCCCCC(=O)N	0.4	0.0
Compound_5930	CCCCCCCCCCCCCCCCCCN(=O)(C)C	0.5	0.0
Compound_5931	CCCCCCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.53	1.0
Compound_5932	CCCCCCCCCCCCCCCCCC[Si](Cl)(C)C	0.86	1.0
Compound_5933	CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)C	0.88	1.0
Compound_5934	CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)C	0.78	1.0
Compound_5935	CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl	0.86	1.0
Compound_5936	CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC	0.73	1.0
Compound_5937	CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC	0.83	1.0
Compound_5938	CCCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5939	CCCCCCCCCCCCCCCCCc1ncc[nH]1	0.24	0.0
Compound_5940	CCCCCCCCCCCCCCCCCC1=NCCN1	0.24	0.0
Compound_5941	CCCCCCCCCCCCCCCCCC1=NCCN1CCN	0.27	0.0
Compound_5942	CCCCCCCCCCCCCCCCCC1CO1	0.91	1.0
Compound_5943	CCCCCCCCCCCCCCCCCCBr	0.95	1.0
Compound_5944	CCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5945	CCCCCCCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5946	CCCCCCCCCCCCCCCCCCC(C(=O)O)CCCCCCCCCCCCCC	0.94	1.0
Compound_5947	CCCCCCCCCCCCCCCCCCC(C(=O)O)CCCCCCCCCCCCCCCC	0.94	1.0
Compound_5948	CCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_5949	CCCCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5950	CCCCCCCCCCCCCCCCCCc1cccc2c1cccc2	0.85	1.0
Compound_5951	CCCCCCCCCCCCCCCCCCc1ccccc1	0.74	1.0
Compound_5952	CCCCCCCCCCCCCCCCCCc1ccccc1Oc1ccccc1	0.7	1.0
Compound_5953	CCCCCCCCCCCCCCCCCCc1ccc2c(c1)cccc2	0.85	1.0
Compound_5954	CCCCCCCCCCCCCCCCCCC1OC1	0.91	1.0
Compound_5955	CCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5956	CCCCCCCCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5957	CCCCCCCCCCCCCCCCCCCC=CC(=O)O	0.74	1.0
Compound_5958	CCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5959	CCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5960	CCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCC	0.91	1.0
Compound_5961	CCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCCCC1	0.39	0.0
Compound_5962	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCCCCCC	0.22	0.0
Compound_5963	CCCCCCCCCCCCCCCCCCCCCC(=O)OC	0.85	1.0
Compound_5964	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	0.22	0.0
Compound_5965	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O	0.38	0.0
Compound_5966	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)O	0.42	0.0
Compound_5967	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC	0.86	1.0
Compound_5968	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(CCCCCC)O	0.52	1.0
Compound_5969	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC	0.86	1.0
Compound_5970	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC	0.86	1.0
Compound_5971	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC	0.86	1.0
Compound_5972	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCO	0.62	1.0
Compound_5973	CCCCCCCCCCCCCCCCCCCCCC(=O)OCN(c1nc(nc(n1)N(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC)N(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC)COC	0.31	0.0
Compound_5974	CCCCCCCCCCCCCCCCCCCCCC(=O)N	0.4	0.0
Compound_5975	CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)C	0.88	1.0
Compound_5976	CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl	0.86	1.0
Compound_5977	CCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5978	CCCCCCCCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5979	CCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5980	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_5981	CCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5982	CCCCCCCCCCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5983	CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1	0.74	1.0
Compound_5984	CCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(C1=O)CCNCCNCCNCCN1C(=O)CC(C1=O)CCCCCCCCCCCCCCCCCC	0.2	0.0
Compound_5985	CCCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5986	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	0.65	1.0
Compound_5987	CCCCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5988	CCCCCCCCCCCCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5989	CCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5990	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5991	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5992	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5993	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5994	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C	0.89	1.0
Compound_5995	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5996	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5997	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.98	1.0
Compound_5998	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	0.9	1.0
Compound_5999	CCCCCCCCCCCCCCCCCCCCCCCCCCO	0.9	1.0
Compound_6000	CCCCCCCCCCCCCCCCCCCCCCCCO	0.9	1.0
Compound_6001	CCCCCCCCCCCCCCCCCCCCCCN	0.46	0.0
Compound_6002	CCCCCCCCCCCCCCCCCCCCCCO	0.9	1.0
Compound_6003	CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6004	CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6005	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.86	1.0
Compound_6006	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC	0.86	1.0
Compound_6007	CCCCCCCCCCCCCCCCCCCCO	0.9	1.0
Compound_6008	CCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6009	CCCCCCCCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.78	1.0
Compound_6010	CCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6011	CCCCCCCCCCCCCCCCCCCCOC(=O)CC	0.86	1.0
Compound_6012	CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.86	1.0
Compound_6013	CCCCCCCCCCCCCCCCCCCCP1C2CCCCC1CC2	0.81	1.0
Compound_6014	CCCCCCCCCCCCCCCCCCCCP1C2CCCC1CCC2	0.76	1.0
Compound_6015	CCCCCCCCCCCCCCCCCCCl	0.98	1.0
Compound_6016	CCCCCCCCCCCCCCCCCCN(CC(O)C)C	0.47	0.0
Compound_6017	CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C	0.71	1.0
Compound_6018	CCCCCCCCCCCCCCCCCCN=C=O	0.65	1.0
Compound_6019	CCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O	0.37	0.0
Compound_6020	CCCCCCCCCCCCCCCCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c(s3)cccc1	0.14	0.0
Compound_6021	CCCCCCCCCCCCCCCCCCNC	0.49	0.0
Compound_6022	CCCCCCCCCCCCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O	0.14	0.0
Compound_6023	CCCCCCCCCCCCCCCCCCNC(=O)C=CC(=O)O	0.17	0.0
Compound_6024	CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)OC	0.09	0.0
Compound_6025	CCCCCCCCCCCCCCCCCCNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.06	0.0
Compound_6026	CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC	0.26	0.0
Compound_6027	CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCC=CCCCCCCCC	0.33	0.0
Compound_6028	CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC	0.35	0.0
Compound_6029	CCCCCCCCCCCCCCCCCCNC(=O)NCCCNC(=O)NCCCCCCCCCCCCCCCCCC	0.3	0.0
Compound_6030	CCCCCCCCCCCCCCCCCCNC(=O)NCO	0.38	0.0
Compound_6031	CCCCCCCCCCCCCCCCCCNC(=O)NCOCCCC	0.35	0.0
Compound_6032	CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC	0.52	1.0
Compound_6033	CCCCCCCCCCCCCCCCCCNCCCN	0.45	0.0
Compound_6034	CCCCCCCCCCCCCCCCCCO	0.9	1.0
Compound_6035	CCCCCCCCCCCCCCCCCCO[Si](C)(C)C	0.84	1.0
Compound_6036	CCCCCCCCCCCCCCCCCCOC(=O)C1(C)CCC2(C(C1)C1=CC(=O)C3C(C1(CC2)C)(C)CCC1C3(C)CCC(C1(C)C)O)C	0.25	0.0
Compound_6037	CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCCC	0.58	1.0
Compound_6038	CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCCC	0.58	1.0
Compound_6039	CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)O	0.65	1.0
Compound_6040	CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6041	CCCCCCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.78	1.0
Compound_6042	CCCCCCCCCCCCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6043	CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCCCC	0.54	1.0
Compound_6044	CCCCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O	0.72	1.0
Compound_6045	CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.51	1.0
Compound_6046	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC	0.86	1.0
Compound_6047	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C	0.77	1.0
Compound_6048	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC	0.86	1.0
Compound_6049	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC	0.86	1.0
Compound_6050	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC	0.86	1.0
Compound_6051	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC	0.86	1.0
Compound_6052	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	0.86	1.0
Compound_6053	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.86	1.0
Compound_6054	CCCCCCCCCCCCCCCCCCOC(=O)CCS	0.85	1.0
Compound_6055	CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC	0.67	1.0
Compound_6056	CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC	0.67	1.0
Compound_6057	CCCCCCCCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCCCCCCCC	0.61	1.0
Compound_6058	CCCCCCCCCCCCCCCCCCOC=C	0.9	1.0
Compound_6059	CCCCCCCCCCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_6060	CCCCCCCCCCCCCCCCCCOCC(CO)O	0.5	0.0
Compound_6061	CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC	0.88	1.0
Compound_6062	CCCCCCCCCCCCCCCCCCOCCCN(C)C	0.5	0.0
Compound_6063	CCCCCCCCCCCCCCCCCCOCCOCCCCCCCCCCCCCCCCCC	0.94	1.0
Compound_6064	CCCCCCCCCCCCCCCCCCOCN(c1nc(nc(n1)N(COC)COC)N(COC)COC)COC	0.32	0.0
Compound_6065	CCCCCCCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCCCCCCC	0.76	1.0
Compound_6066	CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	0.83	1.0
Compound_6067	CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OC2)OCCCCCCCCCCCCCCCCCC	0.7	1.0
Compound_6068	CCCCCCCCCCCCCCCCCCP(=O)(OC)OC	0.74	1.0
Compound_6069	CCCCCCCCCCCCCCCCCCP(=O)(OC)O	0.66	1.0
Compound_6070	CCCCCCCCCCCCCCCCCCS	0.88	1.0
Compound_6071	CCCCCCCCCCCCCCCCCCSc1ccc(cc1)C1=C2C(=O)N=C(C2C(=O)N1)c1ccc(cc1)SCCCCCCCCCCCCCCCCCC	0.24	0.0
Compound_6072	CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC	0.83	1.0
Compound_6073	CCCCCCCCCCCCCCCCCl	0.98	1.0
Compound_6074	CCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6075	CCCCCCCCCCCCCCCCI	0.95	1.0
Compound_6076	CCCCCCCCCCCCCCCCN	0.46	0.0
Compound_6077	CCCCCCCCCCCCCCCCN(C)C	0.61	1.0
Compound_6078	CCCCCCCCCCCCCCCCN(C)C	0.61	1.0
Compound_6079	CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC	0.74	1.0
Compound_6080	CCCCCCCCCCCCCCCCN=C=O	0.65	1.0
Compound_6081	CCCCCCCCCCCCCCCCNC	0.49	0.0
Compound_6082	CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC	0.52	1.0
Compound_6083	CCCCCCCCCCCCCCCCO	0.9	1.0
Compound_6084	CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC	0.58	1.0
Compound_6085	CCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6086	CCCCCCCCCCCCCCCCOC(=O)C(O)C	0.7	1.0
Compound_6087	CCCCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.78	1.0
Compound_6088	CCCCCCCCCCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6089	CCCCCCCCCCCCCCCCOC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.51	1.0
Compound_6090	CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O	0.72	1.0
Compound_6091	CCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C	0.77	1.0
Compound_6092	CCCCCCCCCCCCCCCCOC(=O)CCCCCCC	0.86	1.0
Compound_6093	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC	0.86	1.0
Compound_6094	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC	0.86	1.0
Compound_6095	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC	0.86	1.0
Compound_6096	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	0.86	1.0
Compound_6097	CCCCCCCCCCCCCCCCOC(=O)C	0.86	1.0
Compound_6098	CCCCCCCCCCCCCCCCOC(CC(C)C)C	0.8	1.0
Compound_6099	CCCCCCCCCCCCCCCCOC=C	0.9	1.0
Compound_6100	CCCCCCCCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_6101	CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC	0.88	1.0
Compound_6102	CCCCCCCCCCCCCCCl	0.98	1.0
Compound_6103	CCCCCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6104	CCCCCCCCCCCCCCCS(=O)(=O)Cl	0.78	1.0
Compound_6105	CCCCCCCCCCCCCCl	0.98	1.0
Compound_6106	CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C	0.71	1.0
Compound_6107	CCCCCCCCCCCCCCNCCCCCCCCCCCCCC	0.52	1.0
Compound_6108	CCCCCCCCCCCCCCO	0.9	1.0
Compound_6109	CCCCCCCCCCCCCCOC(=O)C(C(C(=O)OCCCCCCCCCCCCCC)O)O	0.36	0.0
Compound_6110	CCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCC	0.58	1.0
Compound_6111	CCCCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6112	CCCCCCCCCCCCCCOC(=O)C(O)C	0.7	1.0
Compound_6113	CCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.78	1.0
Compound_6114	CCCCCCCCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6115	CCCCCCCCCCCCCCOC(=O)CC	0.86	1.0
Compound_6116	CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC	0.86	1.0
Compound_6117	CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC	0.86	1.0
Compound_6118	CCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCC	0.67	1.0
Compound_6119	CCCCCCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_6120	CCCCCCCCCCCCCCOCC(OC(=O)C)C	0.67	1.0
Compound_6121	CCCCCCCCCCCCCCOCC(COCCCO)O	0.6	1.0
Compound_6122	CCCCCCCCCCCCCCOCCCN	0.51	1.0
Compound_6123	CCCCCCCCCCCCCCOCCCNCCCN	0.46	0.0
Compound_6124	CCCCCCCCCCCCCCOCCOC(=O)CCCCCCCCCCCCC	0.86	1.0
Compound_6125	CCCCCCCCCCCCCl	0.98	1.0
Compound_6126	CCCCCCCCCCCCCN	0.46	0.0
Compound_6127	CCCCCCCCCCCCCN1CC(C)OC(C1)C	0.34	0.0
Compound_6128	CCCCCCCCCCCCCNCCCCCCCCCCCCC	0.52	1.0
Compound_6129	CCCCCCCCCCCCCO	0.9	1.0
Compound_6130	CCCCCCCCCCCCCO[Si](OCCCCCCCCCCCCC)(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC	0.85	1.0
Compound_6131	CCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCC	0.58	1.0
Compound_6132	CCCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6133	CCCCCCCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6134	CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC	0.54	1.0
Compound_6135	CCCCCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCC	0.81	1.0
Compound_6136	CCCCCCCCCCCCCOC(=O)c1ccccc1O	0.91	1.0
Compound_6137	CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC	0.58	1.0
Compound_6138	CCCCCCCCCCCCCOC(=O)CCCCCC(C)C	0.77	1.0
Compound_6139	CCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.84	1.0
Compound_6140	CCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCC	0.58	1.0
Compound_6141	CCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCC	0.67	1.0
Compound_6142	CCCCCCCCCCCCCOC(=O)OCCCCCCCCCCCCC	0.75	1.0
Compound_6143	CCCCCCCCCCCCCOCCO	0.99	1.0
Compound_6144	CCCCCCCCCCCCCOP(Oc1ccc(cc1)CCCCCCCCC)Oc1ccc(cc1)CCCCCCCCC	0.73	1.0
Compound_6145	CCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1	0.84	1.0
Compound_6146	CCCCCCCCCCCCCOP(Oc1ccc(cc1)CCCCCCCCC)OCCCCCCCCCCCCC	0.8	1.0
Compound_6147	CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC	0.83	1.0
Compound_6148	CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC	0.74	1.0
Compound_6149	CCCCCCCCCCCCN(CCCN)CCCN	0.4	0.0
Compound_6150	CCCCCCCCCCCCN1C(=O)C=CC1=O	0.37	0.0
Compound_6151	CCCCCCCCCCCCN1C(=O)NC2(C1=O)CC(C)(C)N(C(C2)(C)C)C(=O)C	0.07	0.0
Compound_6152	CCCCCCCCCCCCn1ccnc1	0.21	0.0
Compound_6153	CCCCCCCCCCCCN1CCCC1=O	0.41	0.0
Compound_6154	CCCCCCCCCCCCN1CCCCC1	0.17	0.0
Compound_6155	CCCCCCCCCCCCNC(=O)C=CC(=O)O	0.17	0.0
Compound_6156	CCCCCCCCCCCCNC(=O)C(=CC=C1OCC(N1CC)(C)C)C#N	0.21	0.0
Compound_6157	CCCCCCCCCCCCNCCCCCCCCCCCC	0.52	1.0
Compound_6158	CCCCCCCCCCCCNCCCN	0.45	0.0
Compound_6159	CCCCCCCCCCCCNCCCNCC(=O)O	0.24	0.0
Compound_6160	CCCCCCCCCCCCNCCCNCC(=O)O	0.24	0.0
Compound_6161	CCCCCCCCCCCCNCCNCCNCC(=O)O	0.26	0.0
Compound_6162	CCCCCCCCCCCCNS(=O)(=O)C	0.38	0.0
Compound_6163	CCCCCCCCCCCCO	0.9	1.0
Compound_6164	CCCCCCCCCCCCOC(=O)C1CCC(=O)N1	0.16	0.0
Compound_6165	CCCCCCCCCCCCOC(=O)C=CC(=O)O	0.65	1.0
Compound_6166	CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC	0.58	1.0
Compound_6167	CCCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6168	CCCCCCCCCCCCOC(=O)C(C)C	0.77	1.0
Compound_6169	CCCCCCCCCCCCOC(=O)C(O)C	0.7	1.0
Compound_6170	CCCCCCCCCCCCOC(=O)C(CCCC)CC	0.78	1.0
Compound_6171	CCCCCCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6172	CCCCCCCCCCCCOC(=O)C1CC(=C(N=C1C)C)C(=O)OCCCCCCCCCCCC	0.32	0.0
Compound_6173	CCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O	0.72	1.0
Compound_6174	CCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCC	0.58	1.0
Compound_6175	CCCCCCCCCCCCOC(=O)CCCCCCC	0.86	1.0
Compound_6176	CCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.84	1.0
Compound_6177	CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC	0.67	1.0
Compound_6178	CCCCCCCCCCCCOC(=O)C	0.86	1.0
Compound_6179	CCCCCCCCCCCCOC(=O)Cl	0.88	1.0
Compound_6180	CCCCCCCCCCCCOC=C	0.9	1.0
Compound_6181	CCCCCCCCCCCCOc1ccc(cc1)C(=O)OC	0.92	1.0
Compound_6182	CCCCCCCCCCCCOc1cccc(c1)c1ccccc1	0.81	1.0
Compound_6183	CCCCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_6184	CCCCCCCCCCCCOCC(CO)O	0.5	0.0
Compound_6185	CCCCCCCCCCCCOCC(COCCCO)O	0.6	1.0
Compound_6186	CCCCCCCCCCCCOCCCCCCCCCCCC	0.88	1.0
Compound_6187	CCCCCCCCCCCCOCCO	0.99	1.0
Compound_6188	CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC	0.76	1.0
Compound_6189	CCCCCCCCCCCCOP(Oc1ccc(cc1)CCCCCCCCC)Oc1ccc(cc1)CCCCCCCCC	0.73	1.0
Compound_6190	CCCCCCCCCc1ccccc1OP(OCCCCCCCCCCCC)OCCCCCCCCCCCC	0.72	1.0
Compound_6191	CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OCCCCCCCCCCCC	0.83	1.0
Compound_6192	CCCCCCCCCCCCP(=O)(OCC)OCC	0.86	1.0
Compound_6193	CCCCCCCCCCCCS	0.88	1.0
Compound_6194	CCCCCCCCCCCCS(=O)(=O)CCCC(=O)O	0.55	1.0
Compound_6195	CCCCCCCCCCCCS(=O)(=O)CCCc1nnc2n1N=C(CS2)C(C)(C)C	0.36	0.0
Compound_6196	CCCCCCCCCCCCS(=O)(=O)Cl	0.78	1.0
Compound_6197	CCCCCCCCCCCCSCC(C(=O)NCCN1CCNC1C(C)C)C	0.17	0.0
Compound_6198	CCCCCCCCCCCCSCC(C(=O)NCCNCCN)C	0.23	0.0
Compound_6199	CCCCCCCCCCCCSCc1cc(CSCCCCCCCCCCCC)c(c(c1)C)O	0.44	0.0
Compound_6200	CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC	0.5	0.0
Compound_6201	CCCCCCCCCCCCSCCC(=O)O	0.71	1.0
Compound_6202	CCCCCCCCCCCCSP(SCCCCCCCCCCCC)SCCCCCCCCCCCC	0.83	1.0
Compound_6203	CCCCCCCCCCCl	0.98	1.0
Compound_6204	CCCCCCCCCCCO	0.9	1.0
Compound_6205	CCCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6206	CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC	0.54	1.0
Compound_6207	CCCCCCCCCCN	0.46	0.0
Compound_6208	CCCCCCCCCCN(C)C	0.61	1.0
Compound_6209	CCCCCCCCCCN(CCCCCCCC)C	0.71	1.0
Compound_6210	CCCCCCCCCCN(CCCCCCCCCC)C	0.71	1.0
Compound_6211	CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC	0.74	1.0
Compound_6212	CCCCCCCCCCNCCCCCCCCCC	0.52	1.0
Compound_6213	CCCCCCCCCCO	0.9	1.0
Compound_6214	CCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_6215	CCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_6216	CCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.49	0.0
Compound_6217	CCCCCCCCCCOC	0.83	1.0
Compound_6218	CCCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6219	CCCCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6220	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	0.54	1.0
Compound_6221	CCCCCCCCCCOC(=O)c1ccccc1N	0.48	0.0
Compound_6222	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC	0.54	1.0
Compound_6223	CCCCCCCCCCOC(=O)CC	0.86	1.0
Compound_6224	CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC	0.58	1.0
Compound_6225	CCCCCCCCCCOC(=O)CCCCCCC	0.86	1.0
Compound_6226	CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.84	1.0
Compound_6227	CCCCCCCCCCOC(=O)CCCCCCCCC	0.86	1.0
Compound_6228	CCCCCCCCCCOC(=O)C	0.86	1.0
Compound_6229	CCCCCCCCCCOC=C	0.9	1.0
Compound_6230	CCCCCCCCCCOc1ccc(cc1)C(=O)OC	0.92	1.0
Compound_6231	CCCCCCCCCCOc1ccc(cc1)C(=O)O	1.0	1.0
Compound_6232	CCCCCCCCCCOC1CCS(=O)(=O)C1	0.59	1.0
Compound_6233	CCCCCCCCCCOCC=C	0.88	1.0
Compound_6234	CCCCCCCCCCOCC=O	0.95	1.0
Compound_6235	CCCCCCCCCCOCCCCCCCCCC	0.88	1.0
Compound_6236	CCCCCCCCCCOCCCNC(=O)CO	0.18	0.0
Compound_6237	CCCCCCCCCCOP(=O)(OCCCCCCCCCC)O	0.84	1.0
Compound_6238	CCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1	0.84	1.0
Compound_6239	CCCCCCCCCCOP(Oc1ccccc1)OCCCCCCCCCC	0.84	1.0
Compound_6240	CCCCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC	0.91	1.0
Compound_6241	CCCCCCCCCCS	0.88	1.0
Compound_6242	CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC	0.58	1.0
Compound_6243	CCCCCCCCOC(=O)CCCCCCCC1OC1CCCCCCCC	0.7	1.0
Compound_6244	CCCCCCCOC(=O)CCCCCCCCC=C	0.82	1.0
Compound_6245	CCCCCCOc1ccc(cc1)OC(=O)C1CCC(CC1)CCCC	0.87	1.0
Compound_6246	CCCCCOc1ccc(cc1)OC(=O)C1CCC(CC1)CCCCC	0.87	1.0
Compound_6247	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	0.87	1.0
Compound_6248	CCCCOC(=O)CCCCCCCCC=C	0.84	1.0
Compound_6249	CCCCOc1ccc(cc1)OC(=O)C1CCC(CC1)CCCC	0.89	1.0
Compound_6250	CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC	0.8	1.0
Compound_6251	CCCOC1CCC(CC1)C1CCC(CC1)CCC	0.69	1.0
Compound_6252	CCCCCCCCCCCCc1ccccc1S(=O)(=O)O	0.4	0.0
Compound_6253	CCCCCCCCCCCCc1ccccc1S(=O)(=O)O	0.4	0.0
Compound_6254	CCO[Si](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)(OCC)OCC	0.83	1.0
Compound_6255	CCOC(=O)C(CC(=O)OCC)NC1CCC(CC1)CC1CCC(CC1)NC(C(=O)OCC)CC(=O)OCC	0.13	0.0
Compound_6256	CCOC(=O)C(NC1CCC(CC1C)CC1CCC(C(C1)C)NC(C(=O)OCC)CC(=O)OCC)CC(=O)OCC	0.14	0.0
Compound_6257	CCOC(=O)CCCCCCCCC(=O)OCC	0.83	1.0
Compound_6258	C=CCCCCCCCCC(=O)OCC	0.78	1.0
Compound_6259	CCOC(OC1CCCCCCCCCCC1)C	0.84	1.0
Compound_6260	CCOC1(C)CCC2C(=C)C1CCC2(C)C	0.6	1.0
Compound_6261	CCOc1ccc(c(c1F)F)C1CCC(CC1)C1CCC(CC1)CC	0.68	1.0
Compound_6262	CCOCOC1CCCCCCCCCCC1	0.9	1.0
Compound_6263	CCCCCCCCCCCC[N+](CC)(C)C	0.72	1.0
Compound_6264	CCCCCCCCCCCC[N+]1(CC)CCOCC1	0.28	0.0
Compound_6265	CCCCCCCCCCCCCC[N+](CC)(C)C	0.72	1.0
Compound_6266	CCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1	0.28	0.0
Compound_6267	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC)(C)C	0.31	0.0
Compound_6268	CCCCCCCCCCCC(=NCCC[N+](CC)(C)C)[O-]	0.43	0.0
Compound_6269	CCC(=NOCC=CCl)C1C(=O)CC(CC1=O)CC(SCC)C	0.58	1.0
Compound_6270	CCCCCCCCCCCCCCCCCC(=NCCC[N+](Cc1ccccc1)(CCCC)CCCC)[O-]	0.27	0.0
Compound_6271	CCCCCCCCCCCCCCOCC(CNC(C(=O)O)CCCN=C(N)N)O	0.07	0.0
Compound_6272	CCCCCCCCCCCCOCC(CNC(C(=O)O)CCCN=C(N)N)O	0.07	0.0
Compound_6273	CCCCCCCCCCSCCN	0.47	0.0
Compound_6274	ClC(=O)CCCCCCCCC(=O)Cl	0.81	1.0
Compound_6275	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCC2C(CC1)C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl	0.88	1.0
Compound_6276	OCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.2	0.0
Compound_6277	CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C(C1)(C)C)C	0.08	0.0
Compound_6278	CO[Si](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)(OC)OC	0.7	1.0
Compound_6279	COC(=O)C1(C)CCCC2(C1CCC1C2CCC(C1)C(C)C)C	0.54	1.0
Compound_6280	COC(=O)C(CC(C(=O)O)C)(CCCCCCC(=O)O)C	0.44	0.0
Compound_6281	COC(=O)C1(C)CCCC2(C1CC=C1C2CCC(C1)C(C)C)C	0.49	0.0
Compound_6282	COC(=O)c1ccccc1N=CC1CCC(=CC1)CCCC(O)(C)C	0.17	0.0
Compound_6283	COC(=O)c1ccccc1N=CC1CCC=C(C1)CCCC(O)(C)C	0.17	0.0
Compound_6284	COC(=O)CCCCCCCCC(=O)OC	0.73	1.0
Compound_6285	COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C(C1)(C)C)C	0.16	0.0
Compound_6286	C=CCCCCCCCCC(=O)OC	0.71	1.0
Compound_6287	COC(=O)CCCCCCCCCC(=O)OC	0.73	1.0
Compound_6288	COC(=O)CCCCCCCCCCC(=O)OC	0.73	1.0
Compound_6289	COC(=O)CCCCCCCCCCCCC(=O)OC	0.73	1.0
Compound_6290	C=CCCCCCCCCC(OC)OC	0.69	1.0
Compound_6291	COC=C1CCC(CC1)C1CCC(CC1)c1ccc(cc1)C	0.62	1.0
Compound_6292	COC1(C)CCCCCCCCCCC1	0.46	0.0
Compound_6293	COC1(OC)CCCCCCCCCCC1	0.61	1.0
Compound_6294	COC1CC(CCC1O)C1CC2C(C1(C)CC2)(C)C	0.14	0.0
Compound_6295	O=CC1CC2C(C1)C1CC2CC1OC	0.57	1.0
Compound_6296	COC1CCCC(C1O)C1(C)C2CCC(C1(C)C)C2	0.33	0.0
Compound_6297	COC1CCCCCCCCCCC1	0.65	1.0
Compound_6298	COCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)F	0.82	1.0
Compound_6299	COCOC1CCCCCCCCCCC1	0.78	1.0
Compound_6300	C=CCCCCCCCCC(=O)NCCC[N+](C)(C)C	0.27	0.0
Compound_6301	CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	0.31	0.0
Compound_6302	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	0.31	0.0
Compound_6303	CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCO	0.28	0.0
Compound_6304	CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCCCCCCCCCCCCCCC	0.15	0.0
Compound_6305	CCCCCCCCCCCCC(OC(=Nc1cccc(c1)C(F)(F)F)[O-])COc1ccc(cc1)[I+]c1ccc(cc1)C	0.51	1.0
Compound_6306	CCCCCCCCCCCC[S](C(CC#N)C)CC	0.72	1.0
Compound_6307	CCCCCCCCCCCCc1ccc(cc1)[I+]c1ccc(cc1)CCCCCCCCCCCC	0.78	1.0
Compound_6308	C=CC(=O)OCCC(C(C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.8	1.0
Compound_6309	C=CC(=O)OCCC(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.8	1.0
Compound_6310	C=CC(=O)OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F	0.8	1.0
Compound_6311	C=CC(=O)OCCC(C(C(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)(F)F)(F)F	0.8	1.0
Compound_6312	ICCC(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	0.86	1.0
Compound_6313	C=CC(=O)OCCC(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	0.8	1.0
Compound_6314	Cl[Si](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)(Cl)Cl	0.76	1.0
Compound_6315	ICCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.86	1.0
Compound_6316	C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.8	1.0
Compound_6317	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(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	0.97	1.0
Compound_6318	C=CC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)F	0.88	1.0
Compound_6319	C=CCCC1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)F	0.88	1.0
Compound_6320	C=CC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)F	0.88	1.0
Compound_6321	O=C1CCC(CC1)C1CCC(CC1)c1ccc(c(c1)F)F	0.76	1.0
Compound_6322	N#CCCCCCCCCC#N	0.67	1.0
Compound_6323	CCCCCCCCC1OC1CCCCCCCC(=O)O	0.54	1.0
Compound_6324	CCCCCCCCCCCCCCCCOC(=O)C(S(=O)(=O)O)CC(=O)O	0.49	0.0
Compound_6325	NC(=O)CCCCCCCCC(=O)N	0.27	0.0
Compound_6326	NC1CCC(CC1)CC1CCC(CC1)NC(=O)O	0.27	0.0
Compound_6327	NC1CCC(CC1)CC1CCC(CC1)N	0.35	0.0
Compound_6328	NCC1CC2C(C1CN)C1CC2CC1	0.27	0.0
Compound_6329	NCCCCCCCCCCC(=O)O	0.06	0.0
Compound_6330	NCCCCCCCCCCCC(=O)O	0.06	0.0
Compound_6331	NCCCCCCCCCCCCN	0.65	1.0
Compound_6332	NCCCCCCCCCCN	0.65	1.0
Compound_6333	NNC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(=O)NN)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.44	0.0
Compound_6334	NNC(=O)CCCCCCCCC(=O)NN	0.33	0.0
Compound_6335	NNC(=O)CCCCCCCCCCC(=O)NN	0.33	0.0
Compound_6336	NNC(=O)CCCCCCCCCCCCCCCCCCC(=O)NN	0.33	0.0
Compound_6337	O=C1CCC2C(C1)CCCC2	0.81	1.0
Compound_6338	O=C1CC2CC1C1C2CCC1	0.78	1.0
Compound_6339	O=C1CCC(CC1)C1CCC(=O)CC1	0.77	1.0
Compound_6340	O=C1CCC(CC1)C1CCC2(CC1)OCCO2	0.67	1.0
Compound_6341	O=C1CCC23C1(CCCCCCCCCC3)O2	0.6	1.0
Compound_6342	O=C1CCCC1C1CCCC1	0.73	1.0
Compound_6343	O=C1CCCC2C1C1C=CC2C1	0.7	1.0
Compound_6344	O=C1CCCCC=CCCCCCCCCCO1	0.74	1.0
Compound_6345	O=C1CCCCC1C1=CCCCC1	0.63	1.0
Compound_6346	O=C1CCCCC1C1CCCCC1	0.75	1.0
Compound_6347	O=C1CCCCCCCC=CCCCCCCC1	0.76	1.0
Compound_6348	O=C1CCCCCCCC=CCCCCCC1	0.76	1.0
Compound_6349	O=C1CCCCCCCCC=CCCCCCO1	0.74	1.0
Compound_6350	O=C1CCCCCCCCCCC=CC1	0.76	1.0
Compound_6351	O=C1CCCCCCCCCCC=CCC1	0.76	1.0
Compound_6352	O=C1CCCCCCCCCCC=CCC1	0.76	1.0
Compound_6353	O=C1CCCCCCCCCCC#CCC1	0.79	1.0
Compound_6354	O=C1CCCCCCCCCCC(=O)OCCC1	0.7	1.0
Compound_6355	O=C1CCCCCCCCCCC(=O)OCCO1	0.61	1.0
Compound_6356	O=C1CCCCCCCCCCCC=C1	0.76	1.0
Compound_6357	O=C1CCCCCCCCCCC=C1	0.76	1.0
Compound_6358	O=C1CCCCCCCCCCC=CCCC1	0.76	1.0
Compound_6359	O=C1CCCCCCCCCCC1	0.81	1.0
Compound_6360	O=C1CCCCCCCCCCCC(=O)OCCO1	0.61	1.0
Compound_6361	O=C1CCCCCCCCCCCCC1	0.81	1.0
Compound_6362	O=C1CCCCCCCCCCCCCC1	0.81	1.0
Compound_6363	O=C1CCCCCCCCCCCCCCC1	0.81	1.0
Compound_6364	O=C1CCCCCCCCCCCCCCCO1	0.81	1.0
Compound_6365	O=C1CCCCCCCCCCCCCCO1	0.81	1.0
Compound_6366	O=C1CCCCCCCCCCCN1	0.34	0.0
Compound_6367	O=C1CCCCCCCCCCO1	0.81	1.0
Compound_6368	O=C1CCCCCCCCCCOCCCCO1	0.71	1.0
Compound_6369	O=C1CCCCCCCCCOCCCCCO1	0.71	1.0
Compound_6370	O=CCCC=C1CC2CC1C1C2CCC1	0.78	1.0
Compound_6371	O=COC1CCC2C(C1)CCCC2	0.81	1.0
Compound_6372	O=COC1CCCCCCCCCCC1	0.83	1.0
Compound_6373	O=COCC1CC2C(C1)C1CC2CC1	0.82	1.0
Compound_6374	O=COCC1CCC2C1C1CCC2C1	0.82	1.0
Compound_6375	O=C(CCC(=O)O)CCCCCCC=CCCCCNCC(=O)O	0.11	0.0
Compound_6376	OC(=O)CCC1(CCC(=O)O)CCCC(C1=O)(CCC(=O)O)CCC(=O)O	0.5	0.0
Compound_6377	OCC(C(CCCCCCCC(C)C)O)(C)C	0.38	0.0
Compound_6378	C=CC(CCC=CCCCCCCC(=O)O)CCCCCC(=O)O	0.6	1.0
Compound_6379	OC(=O)CCCCCCCCCC=CCCCCCCCC(=O)O	0.6	1.0
Compound_6380	C=CCCCCCCCCC(=O)O	0.21	0.0
Compound_6381	OC(=O)CCCCCCCCCC(=O)O	0.69	1.0
Compound_6382	OC(=O)CCCCCCCCCCCC(=O)O	0.69	1.0
Compound_6383	OC(=O)CCCCCCCCCCCCC(=O)O	0.69	1.0
Compound_6384	OC(=O)CCCCCCCCCCCCCC(=O)O	0.69	1.0
Compound_6385	OC(=O)CCCCCCCCCCCCCCC(=O)O	0.69	1.0
Compound_6386	OC(=O)CCCCCCCCCCCCCCCC(=O)O	0.69	1.0
Compound_6387	OC(=O)CCCCCCCCCCCCCCCCC(=O)O	0.69	1.0
Compound_6388	OC(=O)CCCCCCCCCCCCCCCCCCC(=O)O	0.69	1.0
Compound_6389	OC(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)COP(=O)(OCC(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)O)O	0.65	1.0
Compound_6390	OC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(O)O	0.6	1.0
Compound_6391	OC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(O)O	0.6	1.0
Compound_6392	OC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(O)O	0.6	1.0
Compound_6393	OC(CC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(O)O	0.6	1.0
Compound_6394	OC(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)COP(=O)(O)O	0.62	1.0
Compound_6395	C=CC1(O)CC2CC1C1C2CCC1	0.51	1.0
Compound_6396	OC1CC2CC1C1C2CCC1	0.63	1.0
Compound_6397	OC1CCC2C(C1)CCCC2	0.7	1.0
Compound_6398	OC1CCCCCCCCCCC1	0.69	1.0
Compound_6399	OCCNCCN=C(CCCCCCCCCCCCCCC(C)C)O	0.35	0.0
Compound_6400	OCC1CC2C(C1)C1CC2C(C1)CO	0.84	1.0
Compound_6401	OCC1CCC2C1C1CCC2C1	0.71	1.0
Compound_6402	OCCC(C(C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_6403	OCCC(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_6404	OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_6405	OCCC(C(C(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)(F)F)(F)F	0.98	1.0
Compound_6406	OCCC(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	0.98	1.0
Compound_6407	OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_6408	OCCCCCCC(C(CCCCCCCC(=O)O)O)O	0.33	0.0
Compound_6409	OCCCCCCCCCC(=O)O	0.29	0.0
Compound_6410	OCCCCCCCCCC=C	0.7	1.0
Compound_6411	OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	0.84	1.0
Compound_6412	OCCCCCCCCCCCCCCCCO	0.84	1.0
Compound_6413	OCCCCCCCCCCCCO	0.84	1.0
Compound_6414	OCCCCCCCCCCO	0.84	1.0
Compound_6415	OCCNC(=O)CCCCCCCCC=C	0.26	0.0
Compound_6416	CCCCCCCCCCCCCCCC=CC(=O)O	0.74	1.0
Compound_6417	CCCCCCCCCCCCCCCC[N+](CCO)(C)C	0.39	0.0
Compound_6418	CCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.33	0.0
Compound_6419	OS(=O)(=O)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	0.72	1.0
Compound_6420	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)C	0.33	0.0
Compound_6421	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)C	0.33	0.0
Compound_6422	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)C	0.33	0.0
Compound_6423	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)C	0.33	0.0
Compound_6424	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)C	0.33	0.0
Compound_6425	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)C	0.33	0.0
Compound_6426	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)C	0.33	0.0
Compound_6427	CCCCCCCC[N+](Cc1ccccc1)(C)C	0.18	0.0
Compound_6428	CCCCCCCCC=CCCCCCCCC[N+](C)(C)C	0.67	1.0
Compound_6429	CCCCCCCCC=CCCCCCCCC[N+](Cc1ccccc1)(C)C	0.19	0.0
Compound_6430	CCCCCCCCC=CCCCCCCCC1=[N+](CCO)CCN1CCO	0.28	0.0
Compound_6431	CCCCCC=CCC=CCCCCCCCC(=O)N(CC(=O)O)C	0.33	0.0
Compound_6432	CCCCCCCCC=CCCCCCCCC(=O)N(CCS(=O)(=O)O)C	0.36	0.0
Compound_6433	CCCCCCCCC=CCCCCCCCC(=O)N(CCS(=O)(=O)O)C	0.36	0.0
Compound_6434	CCCCCCCCC=CCCCCCCCC(=O)N(CCS(=O)(=O)O)C	0.36	0.0
Compound_6435	CCCCCCC(CC=CCCCCCCCC(=O)NCCOC(=O)CC(S(=O)(=O)O)C(=O)O)O	0.17	0.0
Compound_6436	CCCCCCCCC=CCCCCCCCC(=O)NCCOCCOC(=O)C(S(=O)(=O)O)CC(=O)O	0.2	0.0
Compound_6437	CCCCCCCCC=CCCCCCCCCNC(=O)CC(S(=O)(=O)O)C(=O)O	0.11	0.0
Compound_6438	CCCCCCCCC=CCCCCCCCCN(CC(=O)O)C	0.33	0.0
Compound_6439	CCCCCCCC1=NCCN1CCOCCC(=O)O	0.22	0.0
Compound_6440	C(CC1CCNCC1)CC1CCNCC1	0.09	0.0
Compound_6441	C=CC(=O)OCCN1C(=O)C2=C(C1=O)CCCC2	0.2	0.0
Compound_6442	C1CCC2C(C1)CNCC2	0.13	0.0
Compound_6443	CCCCCCCCC=CCCCCCCCC1=NCCN1CCO	0.27	0.0
Compound_6444	CCCCCCCCC=CCCCCCCCC1=NCCN1CCO	0.27	0.0
Compound_6445	CCCCCCCCC=CCCCCCCCC1=NCCN1CCO	0.27	0.0
Compound_6446	O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2	0.74	1.0
Compound_6447	CC(CCCCCC(=O)NCCCCCC(=O)O)C	0.12	0.0
Compound_6448	CC(CCCCCCCN(CCCCCCCC(C)C)CCCCCCCC(C)C)C	0.61	1.0
Compound_6449	CCCCCCCCC=CCCCCCCCCN	0.46	0.0
Compound_6450	CCCCCCCCC=CCCCCCCCCN	0.46	0.0
Compound_6451	CCCCCCCCC=CCCCCCCCCN	0.46	0.0
Compound_6452	CCCCCCCCC=CCCCCCCCCN	0.46	0.0
Compound_6453	CCCCCC=CCC=CCCCCCCCC(=O)NCCO	0.26	0.0
Compound_6454	CCCCCCCC(=O)N(C)C	0.54	1.0
Compound_6455	CCCCCCCC(=O)N(CC)CC	0.64	1.0
Compound_6456	CCCCCCCC(=O)N(CCCC)CCCC	0.64	1.0
Compound_6457	CCCCCCCC(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C	0.14	0.0
Compound_6458	CCCCCCCC(=O)N1CCOCC1	0.29	0.0
Compound_6459	CCCCCCCC(=O)NCC(=O)O	0.13	0.0
Compound_6460	CCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.27	0.0
Compound_6461	CCCCCCCC(=O)NCCCN(C)C	0.33	0.0
Compound_6462	CCCCCCCC(=O)NCCNCCNCCNCCN	0.22	0.0
Compound_6463	CCCCCCCC(=O)NCCO	0.26	0.0
Compound_6464	CCCCCCCCN(=O)(C)C	0.5	0.0
Compound_6465	CCCCCCCCC=CCCCCCCCC(=O)N(C)C	0.52	1.0
Compound_6466	CCCCCCCCC=CCCCCCCCC(=O)N(C1CCCCC1)CC(=O)O	0.28	0.0
Compound_6467	CCCCCCCCC=CCCCCCCCC(=O)N(CCCC)CCCC	0.63	1.0
Compound_6468	CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCN	0.28	0.0
Compound_6469	CCCCCCCCC=CCCCCCCCC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1	0.3	0.0
Compound_6470	CCCCCCCCC=CCCCCCCCC(=O)NCC(O)C	0.2	0.0
Compound_6471	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.26	0.0
Compound_6472	CCCCCCCCC=CCCCCCCCC(=O)NCCCN(C)C	0.32	0.0
Compound_6473	CCCCCCCCC=CCCCCCCCC(=O)NCCNCCN	0.21	0.0
Compound_6474	CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC	0.21	0.0
Compound_6475	CCCCCCCCC=CCCCCCCCC(=O)NCCNCCO	0.26	0.0
Compound_6476	CCCCCCCCC=CCCCCCCCC(=O)NCCO	0.26	0.0
Compound_6477	CCCCCCCCC=CCCCCCCCC(=O)N	0.35	0.0
Compound_6478	CCCCCCCCC=CCCCCCCCCN(=O)(C)C	0.5	0.0
Compound_6479	CCCCCCCCC=CCCCCCCCC1=NCCN1CCNCCNCCN	0.25	0.0
Compound_6480	CCCCCCCCC=CCCCCCCCCN(C)C	0.61	1.0
Compound_6481	CCCCCCCCC=CCCCCCCCCNCCC#N	0.51	1.0
Compound_6482	CCCCCCCCC=CCCCCCCCCNCCCCCCCCC=CCCCCCCCC	0.52	1.0
Compound_6483	CCCCCCCCC=CCCCCCCCCNCCCN	0.45	0.0
Compound_6484	CCCCCCCCC=CCCCCCCCCNCCCNC(=O)CC(C(=O)O)NCCCNCCCCCCCCC=CCCCCCCCC	0.14	0.0
Compound_6485	CCCCCCCCC=CCCCCCCCCNCCCNCCCN	0.45	0.0
Compound_6486	CCCCCCCCC=CCCCCCCCCNCCCNCCCNCCCN	0.45	0.0
Compound_6487	CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O	0.09	0.0
Compound_6488	CCCCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCCCCCCCC	0.22	0.0
Compound_6489	CCCCCCCCN	0.46	0.0
Compound_6490	CCCCCCCCN	0.46	0.0
Compound_6491	CCCCCCCCN(C)C	0.61	1.0
Compound_6492	CCCCCCCCN(C)C	0.61	1.0
Compound_6493	CCCCCCCCN(CCCCCCCC)C	0.71	1.0
Compound_6494	CCCCCCCCN(c1ccccc1)c1ccccc1	0.28	0.0
Compound_6495	CCCCCCCCN(CCCCCCCC)CCCCCCCC	0.74	1.0
Compound_6496	CCCCCCCCN1CCCC1=O	0.41	0.0
Compound_6497	CCCCCCCCNCC(C(C(C(CO)O)O)O)O	0.21	0.0
Compound_6498	CCCCCCCCNCCCCCCCC	0.52	1.0
Compound_6499	CCCCCCCCNCCCN	0.45	0.0
Compound_6500	CCCCCCCCNCCN(CC(=O)O)CCNCCCCCCCC	0.28	0.0
Compound_6501	CCCCCCCCNCCN(CC(=O)O)CCNCCCCCCCC	0.28	0.0
Compound_6502	CCNC(=O)C1CC(C)CCC1C(C)C	0.25	0.0
Compound_6503	CCCCCCCCC=CCCCCCCCC1=[N+](CCO)CCN1CC	0.26	0.0
Compound_6504	CCCCCCC(CC=CCCCCCCCC(=O)NCCC[N+](C)(C)C)O	0.27	0.0
Compound_6505	NCC1C2CCC(C1CN)C2	0.28	0.0
Compound_6506	NCCCCC(CCCN)CN	0.61	1.0
Compound_6507	NCCCCCCCCN	0.65	1.0
Compound_6508	O=C=NCCCCC(CCCN=C=O)CN=C=O	0.39	0.0
Compound_6509	OCN1C(=O)C2=C(C1=O)CCCC2	0.43	0.0
Compound_6510	CC(CCCCCC(=O)O)C	0.62	1.0
Compound_6511	CC(CCCCCC(=O)O)C	0.62	1.0
Compound_6512	CC(CCCCCC(=O)O)C	0.62	1.0
Compound_6513	CC(CCCCCC(=O)O)C	0.62	1.0
Compound_6514	CC(CCCCCC(=O)O)C	0.62	1.0
Compound_6515	CC(CCCCCC(=O)O)C	0.62	1.0
Compound_6516	CC(CCCCCC(=O)O)C	0.62	1.0
Compound_6517	CC(CCCCCCC(=O)O)C	0.62	1.0
Compound_6518	CC(CCCCCCC(=O)O)C	0.62	1.0
Compound_6519	CC(CCCCCCC(=O)O)C	0.62	1.0
Compound_6520	CC(CCCCCCC(=O)O)C	0.62	1.0
Compound_6521	CC(CCCCCCC(=O)O)C	0.62	1.0
Compound_6522	CC(CCCCCCC(=O)O)C	0.62	1.0
Compound_6523	CCCCCCCC(=O)O	0.65	1.0
Compound_6524	CCCCCCCC(=O)O	0.65	1.0
Compound_6525	CCCCCCCC(=O)O	0.65	1.0
Compound_6526	CCCCCCCC(=O)O	0.65	1.0
Compound_6527	CCCCCCCC(=O)O	0.65	1.0
Compound_6528	CCCCCCCC(=O)O	0.65	1.0
Compound_6529	CCCCCCCC(=O)O	0.65	1.0
Compound_6530	CCCCCCCC(=O)O	0.65	1.0
Compound_6531	CCCCCCCC(=O)O	0.65	1.0
Compound_6532	CCCCCCCC(=O)O	0.65	1.0
Compound_6533	CCCCCCCC(=O)O	0.65	1.0
Compound_6534	CCCCCCCC(=O)O	0.65	1.0
Compound_6535	CCCCCCCC(=O)O	0.65	1.0
Compound_6536	CCCCCCCC(=O)O	0.65	1.0
Compound_6537	CCCCCCCC(=O)O	0.65	1.0
Compound_6538	CCCCCCCC(=O)O	0.65	1.0
Compound_6539	CCCCCCCC(=O)O	0.65	1.0
Compound_6540	CCCCCCCC(=O)O	0.65	1.0
Compound_6541	CCCCCCCC(=O)O	0.65	1.0
Compound_6542	CCCCCCCC(=O)O	0.65	1.0
Compound_6543	CCCCCCCC(=O)O	0.65	1.0
Compound_6544	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6545	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6546	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6547	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6548	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6549	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6550	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6551	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6552	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6553	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6554	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6555	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6556	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6557	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6558	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6559	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6560	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6561	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6562	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6563	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6564	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6565	CCCCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6566	CCCCCCC(CC=CCCCCCCCC(=O)O)O	0.41	0.0
Compound_6567	CCCCCCC(CC=CCCCCCCCC(=O)O)O	0.41	0.0
Compound_6568	CCCCCCC(CC=CCCCCCCCC(=O)O)O	0.41	0.0
Compound_6569	CCCCCCC(CC=CCCCCCCCC(=O)O)O	0.41	0.0
Compound_6570	CCCCCCC(CC=CCCCCCCCC(=O)O)O	0.41	0.0
Compound_6571	CCCCCCC(CC=CCCCCCCCC(=O)O)O	0.41	0.0
Compound_6572	CCCCCCCCC(=O)O	0.65	1.0
Compound_6573	CCCCCCCCC(=O)O	0.65	1.0
Compound_6574	CCCCCCCCC(=O)O	0.65	1.0
Compound_6575	CCCCCCCCC(=O)O	0.65	1.0
Compound_6576	CCCCCCCCC(=O)O	0.65	1.0
Compound_6577	CCCCCCCCC(=O)O	0.65	1.0
Compound_6578	CCCCCCCCC=CCCCCCCCC(=Nc1ccccc1C(=O)O)O	0.25	0.0
Compound_6579	O=C1OC(=O)C2C1CCCC2	0.53	1.0
Compound_6580	O=C1OC(=O)C2C1CCCC2	0.53	1.0
Compound_6581	OC(=O)CCCCC1SCC2C1NC(=O)N2	0.13	0.0
Compound_6582	OC1CC2C(C1(C)CC2)(C)C	0.09	0.0
Compound_6583	OC1CC2C(C1(C)CC2)(C)C	0.09	0.0
Compound_6584	OC1CC2C(C1(C)CC2)(C)C	0.09	0.0
Compound_6585	O=C(ON1C(=O)CCC1=O)CCCCC1SCC2C1NC(=O)N2	0.22	0.0
Compound_6586	CCCCCC=CCC=CCCCCCCCC(=NCCCN(C)C)O	0.36	0.0
Compound_6587	CCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.43	0.0
Compound_6588	CC1(C)C2CCC3(C1C2)CO3	0.63	1.0
Compound_6589	OC(C(F)(F)F)(C(F)(F)F)CC1CC2CC1C=C2	0.53	1.0
Compound_6590	OCC(CCCC(CC(C)C)C)C	0.8	1.0
Compound_6591	O=C(c1ccc(cc1)OC(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)NCCC[N+](C)(C)C	0.14	0.0
Compound_6592	CCCCCCCCC=CCCCCCCCCOP(=O)(O)O	0.76	1.0
Compound_6593	CCCCCCCCC=CCCCCCCCCOP(=O)(O)O	0.76	1.0
Compound_6594	CCCCCCCCC=CCCCCCCCCOP(=O)(O)O	0.76	1.0
Compound_6595	CCCCCC=CCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6596	CCCCCC=CCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6597	CCCCCC=CCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6598	CCCCCC=CCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6599	CCCCCC=CCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6600	CCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_6601	CCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_6602	CCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_6603	OC(=O)CCCCCCCC(=O)O	0.69	1.0
Compound_6604	OC(=O)CCCCCCCC(=O)O	0.69	1.0
Compound_6605	OC(=O)CCCCCCCC(=O)O	0.69	1.0
Compound_6606	OC(=O)CCCCCCCC(=O)O	0.69	1.0
Compound_6607	OC(=O)CCCCCCCC(=O)O	0.69	1.0
Compound_6608	CCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_6609	CCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_6610	CCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_6611	CCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_6612	CCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_6613	OC(=O)C1C(C(=O)O)C(C(=O)O)C(C(C1C(=O)O)C(=O)O)C(=O)O	0.69	1.0
Compound_6614	OC(=O)C1C(C(=O)O)C(C(=O)O)C(C(C1C(=O)O)C(=O)O)C(=O)O	0.69	1.0
Compound_6615	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O	0.35	0.0
Compound_6616	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O	0.35	0.0
Compound_6617	OC(=O)C1C2CCC(C1C(=O)O)C2	0.74	1.0
Compound_6618	CC(CCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)O)C	0.64	1.0
Compound_6619	O=C(CC(S(=O)(=O)O)C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.68	1.0
Compound_6620	O=C(NCCSS(=O)(=O)O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.22	0.0
Compound_6621	CC(CCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCC(C)C)C	0.6	1.0
Compound_6622	CC(CCCCCCCOS(=O)(=O)O)C	0.72	1.0
Compound_6623	CC(CCCCCCOS(=O)(=O)O)C	0.72	1.0
Compound_6624	CCCCC(CC(C(S(=O)(=O)O)C(=O)O)(C(=O)O)C)CC	0.55	1.0
Compound_6625	CCCCCCC(OS(=O)(=O)O)CC=CCCCCCCCC(=O)O	0.38	0.0
Compound_6626	CCCCCCCCC=CCCCCCCCC(=O)OCCS(=O)(=O)O	0.49	0.0
Compound_6627	CCCCCCCCC=CCCCCCCCCOS(=O)(=O)O	0.63	1.0
Compound_6628	CCCCCCCCC=CCCCCCCCCOS(=O)(=O)O	0.63	1.0
Compound_6629	CCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCCC	0.61	1.0
Compound_6630	CCCCCCCCCOS(=O)(=O)O	0.68	1.0
Compound_6631	CCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCC	0.61	1.0
Compound_6632	CCCCCCCCOP(=O)(OCCCCCCCC)O	0.84	1.0
Compound_6633	CCCCCCCCOP(=O)(OCCCCCCCC)O	0.84	1.0
Compound_6634	CCCCCCCCOP(=O)(OCCCCCCCC)O	0.84	1.0
Compound_6635	OC(=O)CCCCCC(C)(C)C	0.46	0.0
Compound_6636	OC(=O)CCCCCC(C)(C)C	0.46	0.0
Compound_6637	C(CCCC1OCCO1)CCCC1OCCO1	0.78	1.0
Compound_6638	O=COC1CC(C)CCC1C(=C)C	0.51	1.0
Compound_6639	CC1CCC(C(C1)O)C(=C)C	0.21	0.0
Compound_6640	CC1CCC(C(C1)O)C(=C)C	0.21	0.0
Compound_6641	CC1CCC(C(C1)O)C(=C)C	0.21	0.0
Compound_6642	OCCC(CCCC(=C)C)C	0.67	1.0
Compound_6643	OCCC(CCCC(=C)C)C	0.67	1.0
Compound_6644	C=CC(=O)OCCCCCCCCCOC(=O)C=C	0.78	1.0
Compound_6645	C1CCCC2C(CC1)O2	0.87	1.0
Compound_6646	NCCCOCCCCCCC(C)C	0.4	0.0
Compound_6647	NCCCOCCCCCCC(C)C	0.4	0.0
Compound_6648	C=CC1(C)CCC(CC1C(=C)C)C(O)(C)C	0.34	0.0
Compound_6649	O=C(C(=C)C)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.77	1.0
Compound_6650	O=C(C(=C)C)OCCCCCCCCCOC(=O)C(=C)C	0.83	1.0
Compound_6651	OCC(C(C(C(C(CC(=O)C(=O)O)O)NC(=O)C)O)O)O	0.1	0.0
Compound_6652	CC(=O)OC1CCCCC1C(C)(C)C	0.27	0.0
Compound_6653	CC(=O)OC1CCCCC1C(C)(C)C	0.27	0.0
Compound_6654	CC(=O)OC1CCCCC1C(C)(C)C	0.27	0.0
Compound_6655	CC(=O)OCCC(=C)C1CCC(=CC1)C	0.81	1.0
Compound_6656	CC(=O)OCCC1=CC2CC(C1)C2(C)C	0.59	1.0
Compound_6657	C=CCCCCCCCCOC(=O)C	0.77	1.0
Compound_6658	OC1CCCCC1C(C)(C)C	0.11	0.0
Compound_6659	OC1CCCCC1C(C)(C)C	0.11	0.0
Compound_6660	OC1CCCCC1C(C)(C)C	0.11	0.0
Compound_6661	OCCCC(CCCC(C)(C)C)(C)C	0.57	1.0
Compound_6662	O=C(OC(=O)CCCCCC(C)(C)C)CCCCCC(C)(C)C	0.74	1.0
Compound_6663	C=COC(=O)CCCCCCC(C)(C)C	0.74	1.0
Compound_6664	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6665	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6666	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6667	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6668	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6669	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6670	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6671	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6672	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6673	CC1CCC(C(C1)O)C(C)C	0.14	0.0
Compound_6674	CC(=CCCC1=CCC2C(C1)C(=O)OC2=O)C	0.42	0.0
Compound_6675	OCCC(CCC(C(C)C)O)C	0.55	1.0
Compound_6676	CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C	0.33	0.0
Compound_6677	OCCOC(=O)OC1CC(C)CCC1C(C)C	0.54	1.0
Compound_6678	OCC(C1CCC(CC1)C(C)C)C	0.54	1.0
Compound_6679	CC(CC(CC(C)C)C)CC(COC(=O)C)C	0.75	1.0
Compound_6680	CC(CCCC(CC(C)C)C)O	0.46	0.0
Compound_6681	CC(CCC1OC(=O)CC1C)C	0.37	0.0
Compound_6682	OCCC(CCCC(C)C)C	0.65	1.0
Compound_6683	CC(CCCCCC(=O)OCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C)C	0.61	1.0
Compound_6684	CC(CCCCCC(=O)OOC(C)(C)C)C	0.76	1.0
Compound_6685	CC(CCCCCCC(=O)OCC(COC(=O)CCCCCCC(C)C)(COC(=O)CCCCCCC(C)C)COC(=O)CCCCCCC(C)C)C	0.61	1.0
Compound_6686	CC(CCCCCCCOC(=O)C=CC(=O)OCCCCCCCC(C)C)C	0.58	1.0
Compound_6687	CC(CCCCCCCOC(=O)C=CC(=O)O)C	0.64	1.0
Compound_6688	CC(CCCCCCCOC(=O)C)C	0.78	1.0
Compound_6689	NCCCNCCCOCCCCCCCC(C)C	0.33	0.0
Compound_6690	CC(CCCCCCCOP(=O)Oc1ccccc1)C	0.63	1.0
Compound_6691	CC(CCCCCCOC(=O)C(=C)C)C	0.87	1.0
Compound_6692	CC(CCCCCCOC(=O)CCCCC(C)C)C	0.78	1.0
Compound_6693	CC(CCCCCCOC(=O)CCCCCC(C)C)C	0.78	1.0
Compound_6694	CC(CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCC(C)C)C	0.58	1.0
Compound_6695	CC(CCCCCCOC(=O)C)C	0.78	1.0
Compound_6696	CC(CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C)C	0.58	1.0
Compound_6697	CC(C1CCC(=O)O1)CCC=C(C)C	0.48	0.0
Compound_6698	O=COCCC(CCCC(=C)C)C	0.85	1.0
Compound_6699	CC(C1OCCO1)CCCCCC1OCCO1	0.81	1.0
Compound_6700	OC(=O)CCCCCCC(C(=O)O)C	0.62	1.0
Compound_6701	OCCC(C1CCC(=CC1)C)C	0.52	1.0
Compound_6702	OCCC(CCCC(O)(C)C)C	0.43	0.0
Compound_6703	OCC(C1CCCCC1)C	0.74	1.0
Compound_6704	OCC(CC(=C)C1CC=C(C1(C)C)C)C	0.44	0.0
Compound_6705	OCC(CCC1CC=C(C1(C)C)C)C	0.43	0.0
Compound_6706	OCCCCCCC(CO)C	0.79	1.0
Compound_6707	CC(=O)OCC(CC1=C(C)CCC1C(=C)C)C	0.76	1.0
Compound_6708	CC(C1C2CCC(C1(C)C)C2)O	0.56	1.0
Compound_6709	CC(COC(=O)OC1CC(C)CCC1C(C)C)O	0.51	1.0
Compound_6710	CCC1CCC(CC1)C1COC(OC1)c1cc(F)c(c(c1)F)F	0.73	1.0
Compound_6711	CCC=CCC1C(CCC1=O)CC(=O)OC	0.53	1.0
Compound_6712	CCC=CCC1C(CCC1=O)CC(=O)OC	0.53	1.0
Compound_6713	CCC=CCC=CCC=CCCCCCCCC(=O)OC	0.74	1.0
Compound_6714	CCC=CCC=CCC=CCCCCCCCC(=O)O	0.03	0.0
Compound_6715	CCC=CCC=CCC=CCCCCCCCC(=O)O	0.03	0.0
Compound_6716	CCC=CCC=CCC=CCCCCCCCC(=O)O	0.03	0.0
Compound_6717	OCCCCCCCCC=CCC=CCC=CCC	0.68	1.0
Compound_6718	CC1(O)CCC2CC1C2(C)C	0.12	0.0
Compound_6719	CC1(O)CCC2CC1C2(C)C	0.12	0.0
Compound_6720	OCCC1=CCC2CC1C2(C)C	0.4	0.0
Compound_6721	OCCC(=C)C1CCC(=CC1)C	0.77	1.0
Compound_6722	CC1CC(C(C(C1)C(C)(C)C)O)C(C)(C)C	0.64	1.0
Compound_6723	CC1CC(CC(=O)O)CC(C1)(C)C	0.38	0.0
Compound_6724	CC1CCC(C(C1)O)C(O)(C)C	0.19	0.0
Compound_6725	OCC1CCC(CC1C)C	0.62	1.0
Compound_6726	CC1CCC(C(C1)C(C)(C)C)O	0.04	0.0
Compound_6727	CC1CCC2C(C1)C(=O)OC2=O	0.52	1.0
Compound_6728	CCC(=O)OCCCCCCC(C)C	0.77	1.0
Compound_6729	C=CCCCCCCCCOC(=O)CC	0.78	1.0
Compound_6730	COC1C2CC3C1C3(C2)CC	0.59	1.0
Compound_6731	CCC1CC2CC1CC2OC	0.54	1.0
Compound_6732	CCCCC=CCCCCCCCC(=O)O	0.49	0.0
Compound_6733	CCCCC(CCC(=O)O)C	0.69	1.0
Compound_6734	CCCCC(CCC(CO)C)CC	0.86	1.0
Compound_6735	CCCCCC=CCC=CCCCCCCCC(=O)OC	0.82	1.0
Compound_6736	CCCCCC=CCC=CCCCCCCCC(=O)OCC	0.84	1.0
Compound_6737	CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O	0.35	0.0
Compound_6738	CCCCCC=CCC=CCCCCCCCC(=O)OCCCC	0.84	1.0
Compound_6739	CCCCCC=CCC=CCCCCCCCC(=O)OCCS	0.82	1.0
Compound_6740	CCCCCC=CCC=CCCCCCCCCO	0.79	1.0
Compound_6741	CCCCC1(CC)CCC(=O)OC1	0.6	1.0
Compound_6742	CCCCC1CCC(=O)O1	0.77	1.0
Compound_6743	CCCCC1COCC(C1OC(=O)C)C	0.65	1.0
Compound_6744	CC1CC(=O)OC1CCCC	0.6	1.0
Compound_6745	CCCCCC(CCC(=O)O)C	0.69	1.0
Compound_6746	CCCCCC(C(COC(=O)C)C)OC(=O)C	0.38	0.0
Compound_6747	CCCCCCC(n1cnc2c1ncnc2N)C(O)C	0.12	0.0
Compound_6748	CCCCCCC(CC=CCCCCCCCC(=O)OC)O	0.48	0.0
Compound_6749	CCCCCCC(CC=CCCCCCCCC(=O)OCC)O	0.41	0.0
Compound_6750	CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)O)O	0.28	0.0
Compound_6751	CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)O	0.41	0.0
Compound_6752	CCCCCCC(CC=CCCCCCCCC(=O)OCCO)O	0.47	0.0
Compound_6753	CCCCCCC(OC(=O)C)CC=CCCCCCCCC(=O)OC	0.6	1.0
Compound_6754	CCCCCCC(OC(=O)C)CC=CCCCCCCCC(=O)OCCCC	0.44	0.0
Compound_6755	CCCCCCC=CCCCCCCCC(=O)OC	0.82	1.0
Compound_6756	CCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6757	CCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6758	CCCCCCC=CCCCCCCCC(=O)O	0.43	0.0
Compound_6759	CCCCCC1CCC(=O)O1	0.78	1.0
Compound_6760	CCCCCC1COCCC1OC(=O)C	0.62	1.0
Compound_6761	CC1CC(=O)OC1CCCCC	0.6	1.0
Compound_6762	CCCCCCC(=O)CCO	0.7	1.0
Compound_6763	CCCCCCC(C(=O)OCC)C(=O)C	0.58	1.0
Compound_6764	CCCCCCC(C(=O)OC=C)(C)C	0.73	1.0
Compound_6765	CCCCCCC(C(=O)O)CC	0.94	1.0
Compound_6766	CCCCCCC(OC(=O)C)CCOC(=O)C	0.38	0.0
Compound_6767	CCCCCCC(C(=O)C)CO	0.81	1.0
Compound_6768	CCCCCCC(CO)O	0.73	1.0
Compound_6769	CCCCCCC1CCOC1=O	0.7	1.0
Compound_6770	CCCCCCCC(=O)OC	0.85	1.0
Compound_6771	CCCCCCCC(=O)Oc1ccc(cc1)C	0.75	1.0
Compound_6772	CCCCCCCC(=O)OCC	0.86	1.0
Compound_6773	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(C)C	0.51	1.0
Compound_6774	CCCCCCCC(=O)OCC(C)C	0.77	1.0
Compound_6775	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC	0.43	0.0
Compound_6776	CCCCCCCC(=O)OCCC=CCC	0.84	1.0
Compound_6777	CCCCCCCC(=O)OCC=C	0.82	1.0
Compound_6778	CCCCCCCC(=O)OCc1ccccc1	0.87	1.0
Compound_6779	CCCCCCCC(=O)OCCC	0.86	1.0
Compound_6780	CCCCCCCC(=O)OCCC(C)C	0.77	1.0
Compound_6781	CCCCCCCC(=O)OCCCC	0.86	1.0
Compound_6782	CCCCCCCC(=O)OCCCCC	0.86	1.0
Compound_6783	CCCCCCCC(=O)OCCCCCC	0.86	1.0
Compound_6784	CCCCCCCC(=O)OCCCCCC(C)C	0.77	1.0
Compound_6785	CCCCCCCC(=O)OCCS	0.85	1.0
Compound_6786	CCCCCCCC(=O)OOC(C)(C)C	0.76	1.0
Compound_6787	CCCCCCCC(COC(=O)C(=C)C)C	0.89	1.0
Compound_6788	CCCCCCCC(O)C	0.64	1.0
Compound_6789	CCCCCCCC(OC)OC	0.77	1.0
Compound_6790	CCCCCCCC(OCC)OCC	0.76	1.0
Compound_6791	CCCCCCCCC=CCCCCCCC=C1OC(=O)C1CCCCCCC=CCCCCCCCC	0.68	1.0
Compound_6792	CCCCCCCCC=CCCCCCCCC(=O)OC	0.82	1.0
Compound_6793	CCCCCCCCC=CCCCCCCCC(=O)OC	0.82	1.0
Compound_6794	CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC	0.7	1.0
Compound_6795	CCCCCCCCC=CCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.42	0.0
Compound_6796	CCCCCCCCC=CCCCCCCCC(=O)OCC	0.84	1.0
Compound_6797	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(C)C	0.48	0.0
Compound_6798	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(C)C	0.53	1.0
Compound_6799	CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C	0.81	1.0
Compound_6800	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)CO	0.58	1.0
Compound_6801	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC	0.46	0.0
Compound_6802	CCCCCCCCC=CCCCCCCCC(=O)OCC1COB(O1)O	0.48	0.0
Compound_6803	CCCCCCCCC=CCCCCCCCC(=O)OCCCC	0.84	1.0
Compound_6804	CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.58	1.0
Compound_6805	CCCCCCCCC=CCCCCCCCC(=O)OCCO	0.81	1.0
Compound_6806	CCCCCCCCC=CCCCCCCCC(=O)OCCOC	0.81	1.0
Compound_6807	CCCCCCCCC=CCCCCCCCC(=O)OCCS	0.82	1.0
Compound_6808	CCCCCCCCC=CCCCCCCCCO	0.79	1.0
Compound_6809	CCCCCCCCC=CCCCCCCCCOP(=O)OCCCCCCCCC=CCCCCCCCC	0.68	1.0
Compound_6810	CCCCCCCCC=CCCCCCCCCOP(=O)OCCCCCCCCC=CCCCCCCCC	0.68	1.0
Compound_6811	CCCCCCCCC=CCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCC=CCCCCCCCC	0.58	1.0
Compound_6812	CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.84	1.0
Compound_6813	CCCCCCCCC=CCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCC=CCCCCCCCC	0.66	1.0
Compound_6814	CCCCCCCCC=CCCCCCCCCOC(=O)CNC	0.4	0.0
Compound_6815	CCCCCCCCC=CCCCCCCCCOC(=O)C	0.84	1.0
Compound_6816	CCCCCCCCC=CCCCCCCCCOCC1OC1	0.78	1.0
Compound_6817	CCCCCCCCC=CCCCCCCCCOP(=O)(OCCCCCCCCC=CCCCCCCCC)O	0.78	1.0
Compound_6818	CCCCCCCCC=CCCCCCCCCOP(=O)(OCCCCCCCCC=CCCCCCCCC)O	0.78	1.0
Compound_6819	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(CO)CO	0.49	0.0
Compound_6820	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)CO	0.38	0.0
Compound_6821	CCCCCCCCC=CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC=CCCCCCCCC	0.58	1.0
Compound_6822	CCCCCCCC=C=CCCCCCCCC(=O)O	0.43	0.0
Compound_6823	CCCCCCCC1OCCO1	0.87	1.0
Compound_6824	CCCCCCCCC(=O)OC	0.85	1.0
Compound_6825	CCCCCCCCC(=O)OCC	0.86	1.0
Compound_6826	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(C)C	0.51	1.0
Compound_6827	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC	0.43	0.0
Compound_6828	CCCCCCCCC(=O)OCC=C	0.82	1.0
Compound_6829	CCCCCCCCC(=O)OCCCC	0.86	1.0
Compound_6830	CCCCCCCCC(=O)OCCCCCCCC(C)C	0.77	1.0
Compound_6831	CCCCCCCCC(=O)OCCO	0.85	1.0
Compound_6832	CCCCCCCCC(OC)OC	0.77	1.0
Compound_6833	CCCCCCCCC(OCC)OCC	0.76	1.0
Compound_6834	CCCCCCCCC=CCCCCCCCC(=O)NCCNCCOC(=O)CCCCCCCC=CCCCCCCCC	0.18	0.0
Compound_6835	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)O)O	0.41	0.0
Compound_6836	CCCCCCCCC=CCCCCCCCC(=O)OCCC	0.84	1.0
Compound_6837	CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC	0.84	1.0
Compound_6838	CCCCCCCCC=CCCCCCCCC(=O)OCCN=C=NCCO	0.4	0.0
Compound_6839	CCCCCCCCC=CCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCC=CCCCCCCCC	0.24	0.0
Compound_6840	CCCCCCCCCO	0.9	1.0
Compound_6841	CCCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6842	CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC	0.54	1.0
Compound_6843	CCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC	0.81	1.0
Compound_6844	CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC	0.58	1.0
Compound_6845	CCCCCCCCCOC(=O)C	0.86	1.0
Compound_6846	CCCCCCCCCOc1ccc(cc1)C(=O)O	1.0	1.0
Compound_6847	CCCCCCCCCOc1ccc(cc1)c1ncc(cn1)CCCCCC	0.44	0.0
Compound_6848	CCCCCCCCCOc1ccc(cc1)c1ncc(cn1)CCCCCCC	0.44	0.0
Compound_6849	CCCCCCCCCOCCO	0.99	1.0
Compound_6850	CCCCCCCCCOP(=O)(O)O	0.82	1.0
Compound_6851	CCCCCCCCO	0.9	1.0
Compound_6852	CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC	0.58	1.0
Compound_6853	CCCCCCCCOC(=O)C=CC(=O)O	0.65	1.0
Compound_6854	CCCCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_6855	CCCCCCCCOC(=O)C(C)C	0.77	1.0
Compound_6856	CCCCCCCCOC(=O)C=C	0.82	1.0
Compound_6857	CCCCCCCCOC(=O)C=CC	0.84	1.0
Compound_6858	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	0.54	1.0
Compound_6859	CCCCCCCCOC(=O)c1ccccc1O	0.91	1.0
Compound_6860	CCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC	0.81	1.0
Compound_6861	CCCCCCCCOC(=O)CC(C)C	0.77	1.0
Compound_6862	CCCCCCCCC=CCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCC)O	0.33	0.0
Compound_6863	CCCCCCCCOC(=O)CCC	0.86	1.0
Compound_6864	CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC	0.58	1.0
Compound_6865	CCCCCCCCOC(=O)CCCCCCC	0.86	1.0
Compound_6866	CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC	0.84	1.0
Compound_6867	CCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC	0.58	1.0
Compound_6868	CCCCCCCCOC(=O)OCCCCCCCC	0.75	1.0
Compound_6869	CCCCCCCCOC(=O)C	0.86	1.0
Compound_6870	CCCCCCCCOC=O	0.91	1.0
Compound_6871	CCCCCCCCOc1ccc(c(c1)O)c1nc(nc(n1)c1ccc(cc1C)C)c1ccc(cc1C)C	0.37	0.0
Compound_6872	CCCCCCCCOc1ccc(cc1)C(=O)O	1.0	1.0
Compound_6873	CCCCCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O	0.86	1.0
Compound_6874	CCCCCCCCOCC(CO)O	0.5	0.0
Compound_6875	CCCCCCCCOCC(COCCCCCCCC)O	0.66	1.0
Compound_6876	CCCCCCCCOCC=O	0.95	1.0
Compound_6877	CCCCCCCCOCCCCCCCC	0.88	1.0
Compound_6878	CCCCCCCCOCCCNC(=O)CO	0.18	0.0
Compound_6879	CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC	0.88	1.0
Compound_6880	CCCCCCCCOP(=O)OCCCCCCCC	0.76	1.0
Compound_6881	CCCCCCCCOP(Oc1ccccc1)Oc1ccccc1	0.84	1.0
Compound_6882	CCCCCCCOC(=O)CCCCCCC	0.86	1.0
Compound_6883	CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC	0.58	1.0
Compound_6884	CCCCOC(=O)CCCCCC(C)C	0.77	1.0
Compound_6885	CCCCOC(=O)CCCCCCCC(=O)OCCCC	0.87	1.0
Compound_6886	ClCCC(CCCCC(=O)OCC)Cl	0.9	1.0
Compound_6887	ClCCC(CCCCC(=O)OCC)O	0.44	0.0
Compound_6888	CCC=CCC=CCC=CCCCCCCCC(=O)OCC	0.81	1.0
Compound_6889	CCOC(=O)CCCCCCCC(=O)OCC	0.83	1.0
Compound_6890	CCOC(=O)OC1CCCCC1C(C)(C)C	0.44	0.0
Compound_6891	CCOC(OCC)CCCCCC(C)C	0.78	1.0
Compound_6892	COC1CC2C(C1(C)CC2)(C)C	0.18	0.0
Compound_6893	COC(=O)C1C(=C)CCCC1(C)C	0.33	0.0
Compound_6894	COC(=O)C1C2CCC(C1(C)C)C2	0.66	1.0
Compound_6895	COC(=O)C1CCCCCCC1	0.85	1.0
Compound_6896	COC(=O)CCCCCCC(=O)OC	0.73	1.0
Compound_6897	COC(=O)CCCCCCCC(=O)OC	0.73	1.0
Compound_6898	CC=CCCCCCCCC(=O)OC	0.74	1.0
Compound_6899	COC(=O)OC1CCC2C1CCC2	0.62	1.0
Compound_6900	COC(=O)OC1CCCCCCC1	0.69	1.0
Compound_6901	COC(CC(CCCC(O)(C)C)C)OC	0.48	0.0
Compound_6902	COC1CC2CC1C1C2CC=C1	0.48	0.0
Compound_6903	CCCCCCCCOc1ccc(cc1)[I+]c1ccccc1	0.8	1.0
Compound_6904	C=CC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.8	1.0
Compound_6905	CCCCCCC(C(=O)O)(C)C	0.67	1.0
Compound_6906	O=C1CC2C(O1)CCCC2	0.71	1.0
Compound_6907	O=C1CC2C(O1)CCCC2	0.71	1.0
Compound_6908	O=C1CCCCCC=CCCCCCCCCO1	0.74	1.0
Compound_6909	O=C1CCCCCCCC=CCCCCCCO1	0.74	1.0
Compound_6910	O=C1CCCCCCCCOCCCCCCO1	0.71	1.0
Compound_6911	O=C1OC(=O)C2=C1CCCC2	0.54	1.0
Compound_6912	O=COC1CCC2C1CCC2	0.76	1.0
Compound_6913	OC(=O)C1CCCCC1C(=O)O	0.61	1.0
Compound_6914	OC(=O)CC1=CCCCC1	0.53	1.0
Compound_6915	OC(=O)CCCCC1SSCC1	0.2	0.0
Compound_6916	OC(=O)CCCCC1SSCC1	0.2	0.0
Compound_6917	OC(=O)CCCCC1SSCC1	0.2	0.0
Compound_6918	OC(=O)CCCCCCC(=O)O	0.69	1.0
Compound_6919	OC(=O)CCCCCCCC=CCC=CCCCCC(=O)O	0.6	1.0
Compound_6920	OC(=O)CCCCCCCC=CCCCC(=O)O	0.6	1.0
Compound_6921	OC(=O)CCCCCCCC=CCCCCCC(=O)O	0.6	1.0
Compound_6922	OC(=O)CCCCCCCC=CCCCCCCC(=O)O	0.6	1.0
Compound_6923	OC(=O)CCCCCCCC=CCCCCCCCC(=O)O	0.6	1.0
Compound_6924	OC(CC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(O)O	0.6	1.0
Compound_6925	O=C1N=C(C2=C1CCCC2)O	0.44	0.0
Compound_6926	OC1CC2CC1C1C2C=CC1	0.52	1.0
Compound_6927	OC1CCCCCCC1	0.69	1.0
Compound_6928	OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_6929	OCCC1CCCCC1	0.75	1.0
Compound_6930	OCCCCCCCCC=C	0.7	1.0
Compound_6931	OCCCCCCCCCc1ccccc1S(=O)(=O)O	0.54	1.0
Compound_6932	OCCCCCCCCCl	0.8	1.0
Compound_6933	OCCCCCCCCCO	0.84	1.0
Compound_6934	OCCCCCCCCO	0.84	1.0
Compound_6935	OCCOC(=O)CCCCCCCC(=O)OCCO	0.66	1.0
Compound_6936	OP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.95	1.0
Compound_6937	CC(CCCCCN(CCCCCC(C)C)CCCCCC(C)C)C	0.61	1.0
Compound_6938	CC(CCCCCNCCCCCC(C)C)C	0.42	0.0
Compound_6939	CCCCCCC(N(C(CCCCCC)C)C(=O)C)C	0.56	1.0
Compound_6940	CCCCC(COC(=O)c1ccc(cc1)O)CC	0.95	1.0
Compound_6941	CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O	0.72	1.0
Compound_6942	Nc1cccc(c1)OCCCC[Si](O[Si](CCCCOc1cccc(c1)N)(C)C)(C)C	0.28	0.0
Compound_6943	Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1	0.59	1.0
Compound_6944	CC(CC(=O)Oc1ccc(cc1)C)C	0.75	1.0
Compound_6945	Cc1ccc(cc1)OC1CCCCO1	0.84	1.0
Compound_6946	CCC1(COc2ccccc2)COC1	0.82	1.0
Compound_6947	CCCCC(COc1ccc(c(c1)O)c1nc(nc(n1)c1ccc(cc1)OC)c1ccc(cc1O)OCC(CCCC)CC)CC	0.25	0.0
Compound_6948	CCCCCC(=O)Oc1ccc(cc1)C	0.73	1.0
Compound_6949	CCCCCCc1cnc(nc1)c1ccc(cc1)OCCCCC	0.44	0.0
Compound_6950	CCCCCCCc1cnc(nc1)c1ccc(cc1)OCCCCCC	0.44	0.0
Compound_6951	CCCCCCCOc1ccc(cc1)C(=O)O	1.0	1.0
Compound_6952	CCCCCCCOc1ccc(cc1)c1ncc(cn1)CCCCCC	0.44	0.0
Compound_6953	CCCCCCOc1ccc(c(c1)O)c1nc(nc(n1)c1ccccc1)c1ccccc1	0.4	0.0
Compound_6954	CCCCCCOc1ccc(cc1)C#Cc1ccc(cc1)F	0.82	1.0
Compound_6955	CCCCCCOc1ccc(cc1)C(=O)O	1.0	1.0
Compound_6956	CCCCCCOc1ccc(cc1)c1ncc(cn1)CCCCCC	0.44	0.0
Compound_6957	CCCCCOc1ccc(cc1)C(=O)O	0.98	1.0
Compound_6958	CCCCOc1ccc(c(c1)O)c1nc(nc(n1)c1ccc(cc1OCCCC)OCCCC)c1ccc(cc1O)OCCCC	0.28	0.0
Compound_6959	CCCCOc1ccc(cc1)Br	0.9	1.0
Compound_6960	CCCCOc1ccc(cc1)C#Cc1ccc(cc1)F	0.77	1.0
Compound_6961	CCCCOc1ccc(cc1)C(=O)O	0.99	1.0
Compound_6962	CCCCOc1ccc(cc1)c1ncc(cn1)CCCC	0.48	0.0
Compound_6963	CCCCOc1ccc2c(c1)cccc2	0.77	1.0
Compound_6964	CCCCOc1ccccc1	0.86	1.0
Compound_6965	CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C	0.0	0.0
Compound_6966	ClCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.01	0.0
Compound_6967	CCN(c1ccc(cc1)C=C(C(=O)OCC[N+](C)(C)C)C#N)CC	0.21	0.0
Compound_6968	CCN(c1ccc(cc1)C=C(C(=O)OCCC[N+](CCOC(=O)C(=Cc1ccc(cc1)N(CC)CC)C#N)(C)C)C#N)CC	0.2	0.0
Compound_6969	CCN(c1ccc(cc1)C1=[N+](CC)c2c3c1cccc3c(cc2)Br)CC	0.17	0.0
Compound_6970	CCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.14	0.0
Compound_6971	CCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.14	0.0
Compound_6972	CCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.14	0.0
Compound_6973	ClCCN(c1ccc(c(c1)C)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.07	0.0
Compound_6974	OCCN(c1ccc(cc1)C1=[N+](C)c2c3c1cccc3c(cc2)Br)CC	0.04	0.0
Compound_6975	OCCN(c1ccc(cc1)C1=[N+](C)c2c3c1cccc3c(cc2)Cl)CC	0.05	0.0
Compound_6976	OCCN(c1ccc(c(c1)C)C=C(C#N)C#N)CCO	0.24	0.0
Compound_6977	OCCN(c1ccc(cc1)C)CCO	0.35	0.0
Compound_6978	O=C1C=CC(=O)N1c1ccc(c(c1)N1C(=O)C=CC1=O)C	0.26	0.0
Compound_6979	Cc1ccc2c(c1)nc(o2)C=Cc1ccc(cc1)N1CCOCC1	0.06	0.0
Compound_6980	CCC(C(=O)c1ccc(cc1)N1CCOCC1)(N(C)C)Cc1ccc(cc1)C	0.07	0.0
Compound_6981	CCC(C(=O)c1ccc(cc1)N1CCOCC1)(N(C)C)Cc1ccccc1	0.07	0.0
Compound_6982	CCCCCCCCNc1ccc2c(c1)C1(OC(=O)c3c1cccc3)c1c(O2)cc(cc1)N(CC)CC	0.09	0.0
Compound_6983	CCCCCCOc1cc(ccc1C1(OC(=O)c2c1nccc2)c1c2ccccc2n(c1C)CC)N(CC)CC	0.14	0.0
Compound_6984	CCN(c1ccc(c(c1)C)C=O)CC	0.72	1.0
Compound_6985	CCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CC	0.27	0.0
Compound_6986	CCN(c1ccc(cc1)C)CC	0.75	1.0
Compound_6987	CCN(c1ccc(cc1)C(=CC=C(c1ccccc1)c1ccccc1)c1ccccc1)CC	0.44	0.0
Compound_6988	CCN(c1ccc(cc1)C=NN(c1cccc2c1cccc2)c1ccccc1)CC	0.39	0.0
Compound_6989	CCN(c1ccc(c(c1)O)C=O)CC	0.42	0.0
Compound_6990	CCN(c1ccc(cc1)C=O)CC	0.77	1.0
Compound_6991	OCCN(Cc1ccc(cc1)Cl)Cc1ccc(cc1)N(CC)CC	0.15	0.0
Compound_6992	CCN(c1ccc2c(c1)OC1(C=C2)Oc2ccccc2C=C1c1ccccc1)CC	0.26	0.0
Compound_6993	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)c(C)cc(c1)C)CC	0.27	0.0
Compound_6994	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1cccc(c1C)C)CC	0.21	0.0
Compound_6995	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)CC	0.2	0.0
Compound_6996	ClCCN(c1ccc(cc1)C=O)CC	0.47	0.0
Compound_6997	CCN(c1ccc(c(c1)C)C=C(C#N)C#N)CCN=C(c1ccccc1)O	0.13	0.0
Compound_6998	CCN(c1ccc(c(c1)C)C=C(C#N)C#N)CCOC(=O)c1ccc(cc1)C(=O)OC	0.19	0.0
Compound_6999	CCN(c1ccc(c(c1)C)C=C(C#N)C#N)CCOC(=O)Nc1ccccc1	0.13	0.0
Compound_7000	CCOC(=O)c1ccc2c(c1)C1(OC(=O)c3c1cccc3)c1c(O2)cc(cc1)N(CC)CC	0.23	0.0
Compound_7001	CCOc1cc(ccc1C1(OC(=O)c2c1nccc2)c1c2ccccc2n(c1C)CC)N(CC)CC	0.17	0.0
Compound_7002	CCOCCN(c1ccc(c(c1)C)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.09	0.0
Compound_7003	CCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.14	0.0
Compound_7004	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7005	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7006	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7007	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7008	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7009	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7010	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7011	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7012	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7013	CCCC[N+](CCCC)(CCCC)CCCC	0.74	1.0
Compound_7014	CC[N+](CC)(CC)CC	0.65	1.0
Compound_7015	CC[N+](CC)(CC)CC	0.65	1.0
Compound_7016	CC[N+](CC)(CC)CC	0.65	1.0
Compound_7017	CC[N+](CC)(CC)CC	0.65	1.0
Compound_7018	CC[N+](CC)(CC)CC	0.65	1.0
Compound_7019	CC[N+](CC)(CC)CC	0.65	1.0
Compound_7020	CCC[N+](CCC)(CCC)CCC	0.74	1.0
Compound_7021	CCC[N+](CCC)(CCC)CCC	0.74	1.0
Compound_7022	CCCC[N+](Cc1ccccc1)(CCCC)CCCC	0.27	0.0
Compound_7023	CCCC[N+](Cc1ccccc1)(CCCC)CCCC	0.27	0.0
Compound_7024	C=CC[N+](CC=C)(CC=C)C	0.42	0.0
Compound_7025	C=CC[N+](CC=C)(CC=C)CC=C	0.47	0.0
Compound_7026	CC[N+](Cc1ccccc1)(CC)CC	0.41	0.0
Compound_7027	CCCC[N+](CCCC)(CCCC)C	0.75	1.0
Compound_7028	CC(S(=O)(=O)O)N(C(S(=O)(=O)O)C)C(S(=O)(=O)O)C	0.57	1.0
Compound_7029	OS(=O)(=O)CCCN1CCOCC1	0.27	0.0
Compound_7030	OS(=O)(=O)CCCN1CCOCC1	0.27	0.0
Compound_7031	OCCN1CCN(CC1)CCS(=O)(=O)O	0.24	0.0
Compound_7032	OCCN1CCN(CC1)CCS(=O)(=O)O	0.24	0.0
Compound_7033	CC[N+](Cc1ccccc1)(CC(=O)Nc1c(C)cccc1C)CC	0.09	0.0
Compound_7034	CC[N+](Cc1ccccc1)(CC(=O)Nc1c(C)cccc1C)CC	0.09	0.0
Compound_7035	CCCC[N+](Cc1ccc(cc1)C)(CCCC)CCCC	0.27	0.0
Compound_7036	CCN(CC)CC	0.72	1.0
Compound_7037	CCN(CC)CC	0.72	1.0
Compound_7038	CCN(CC)CC	0.72	1.0
Compound_7039	CCN(CC)CC	0.72	1.0
Compound_7040	CCN(CC)CC	0.72	1.0
Compound_7041	N1CCN(CC1)CCN1CCN(CC1)CCN1CCNCC1	0.07	0.0
Compound_7042	N1CCN(CC1)CCN1CCNCC1	0.07	0.0
Compound_7043	N(CCN1CCNCC1)CCN1CCNCC1	0.07	0.0
Compound_7044	O1CCN(CC1)CCN1CCOCC1	0.09	0.0
Compound_7045	C=CCN(CC=C)CC=C	0.52	1.0
Compound_7046	C1CN2CCN1CC2	0.29	0.0
Compound_7047	C1CN2CCN1CC2	0.29	0.0
Compound_7048	CC(=O)N(C(=O)C)CCN(C(=O)C)C(=O)C	0.35	0.0
Compound_7049	CC(=O)N1CCOCC1	0.32	0.0
Compound_7050	CC(=O)NCCN(C(=O)C)C(=O)C	0.31	0.0
Compound_7051	OC(CN(CCN=C(CC(C)C)C)CCN=C(CC(C)C)C)COc1ccccc1	0.1	0.0
Compound_7052	OCCN(C(C)C)C(C)C	0.34	0.0
Compound_7053	CC(CN(CCCN(C)C)CCCN(C)C)O	0.36	0.0
Compound_7054	CCCCN(CCCC)CCO	0.62	1.0
Compound_7055	CCCCN(CCCC)CCO	0.62	1.0
Compound_7056	CCCCN(CCCC)CCCC	0.73	1.0
Compound_7057	CCCCN1CCOCC1	0.21	0.0
Compound_7058	CCCN(CCC)CCC	0.74	1.0
Compound_7059	CCN(C(C)C)C(C)C	0.51	1.0
Compound_7060	CCN(C(=O)C)CC	0.58	1.0
Compound_7061	CCN(CC#C)CC	0.69	1.0
Compound_7062	CCN(CC#CC(O)C)CC	0.47	0.0
Compound_7063	OCC(CN(CC)CC)O	0.37	0.0
Compound_7064	NCCCN(CC)CC	0.41	0.0
Compound_7065	CCN(CCCN(C)C)CC	0.64	1.0
Compound_7066	OCCCN(CC)CC	0.51	1.0
Compound_7067	CCN(CCN(CC)CC)CC	0.56	1.0
Compound_7068	CCN(CCN(C(=O)N(C(C)C)C(C)C)CCC(C)C)CC	0.54	1.0
Compound_7069	CCN(CCn1[nH]nnc1=S)CC	0.39	0.0
Compound_7070	OCCN(CC)CC	0.46	0.0
Compound_7071	CCN(CCOC(=O)CCCCC(=O)O)CC	0.29	0.0
Compound_7072	CCN(CCOC(=O)CCCCC(=O)OCCN(CC)CC)CC	0.32	0.0
Compound_7073	CCN1CCNC(=O)C1=O	0.13	0.0
Compound_7074	CCN1CCOCC1	0.27	0.0
Compound_7075	CCO[Si](OCC)(OCC)CCCN(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC	0.45	0.0
Compound_7076	CCCC[N+](CCCC)(CCCC)CC	0.75	1.0
Compound_7077	CCCN(C(=O)CN)CCC	0.28	0.0
Compound_7078	CCN(CC(=O)Nc1c(C)cccc1C)CC	0.11	0.0
Compound_7079	ClCCN1CCOCC1	0.19	0.0
Compound_7080	CN(CCCN(CCCN(C)C)CCCN(C)C)C	0.54	1.0
Compound_7081	CN(CCN1CCN(CC1)C)C	0.1	0.0
Compound_7082	CN(CCN1CCOCC1)C	0.16	0.0
Compound_7083	NCCN(CCN)CCC[Si](OC)(OC)OC	0.32	0.0
Compound_7084	CO[Si](CCCN1CCOCC1)(OC)OC	0.29	0.0
Compound_7085	ClC[N+]12CC[N+](CC1)(CC2)F	0.28	0.0
Compound_7086	NCCCN1CCN(CC1)CCCN	0.09	0.0
Compound_7087	NCCCN1CCOCC1	0.16	0.0
Compound_7088	NCCN(CCN)CCN	0.33	0.0
Compound_7089	NCCN(CCN)CCN(CCN)CCN	0.33	0.0
Compound_7090	NCCN(CCN)CCNCCN1CCNCC1	0.12	0.0
Compound_7091	NCCN(CCO)CCN	0.35	0.0
Compound_7092	NCCN1CCN(CC1)CCN	0.12	0.0
Compound_7093	NCCN1CCNCC1	0.12	0.0
Compound_7094	NCCNCCN(CCN)CCN	0.27	0.0
Compound_7095	NCCNCCN(CCN1CCNCC1)CCN	0.1	0.0
Compound_7096	NCCNCCN1CCN(CC1)CCN	0.1	0.0
Compound_7097	NCCNCCN1CCNCC1	0.1	0.0
Compound_7098	NCCNCCNCCN(CCN)CCN	0.27	0.0
Compound_7099	NCCNCCNCCN1CCNCC1	0.1	0.0
Compound_7100	NCCNCCNCCNCCN1CCNCC1	0.1	0.0
Compound_7101	OCC(CN1CCCCC1)O	0.14	0.0
Compound_7102	OCCN1CCN(CC1)CCCS(=O)(=O)O	0.2	0.0
Compound_7103	OCCN1CCN(CC1)CCO	0.14	0.0
Compound_7104	OCCN1CCNCC1	0.13	0.0
Compound_7105	OS(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O	0.28	0.0
Compound_7106	OS(=O)(=O)CCN1CCOCC1	0.29	0.0
Compound_7107	CCN1C(=O)C(N=Nc2cc(Nc3nc(Cl)nc(n3)Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O)c(cc2S(=O)(=O)O)S(=O)(=O)O)C(=C(C1=O)C(=O)N)C	0.24	0.0
Compound_7108	OC(=O)CN(C(C(=O)O)CC(=O)O)CC(=O)O	0.15	0.0
Compound_7109	CCCCCCCCCCCCCCCCC=CN(C(C(=O)O)CC(=O)O)C(=O)CC(S(=O)(=O)O)C(=O)O	0.33	0.0
Compound_7110	CCCCCCCCCCCCCCCCCCN(C(=O)C(S(=O)(=O)O)CC(=O)O)C(C(=O)O)CC(=O)O	0.33	0.0
Compound_7111	CCCCCCCCCCCCCCCCCCN(C(C(=O)O)CC(=O)O)C(=O)CC(S(=O)(=O)O)C(=O)O	0.33	0.0
Compound_7112	OC(=O)CCN(CC(=O)O)CC(=O)O	0.09	0.0
Compound_7113	OC(=O)CCN(CC(=O)O)CC(=O)O	0.09	0.0
Compound_7114	OC(=O)CCN1C(=O)C(N=Nc2cc(ccc2S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O)C(=C(C1=O)C(=O)N)C	0.17	0.0
Compound_7115	CCN1C(=O)C(N=Nc2cc(Nc3nc(Cl)nc(n3)Nc3ccc(c(c3)Nc3nc(N)nc(n3)Cl)S(=O)(=O)O)c(cc2S(=O)(=O)O)S(=O)(=O)O)C(=C(C1=O)C(=O)N)C	0.23	0.0
Compound_7116	OC(=O)CN(CC(C(=O)O)O)CC(=O)O	0.15	0.0
Compound_7117	OC(=O)CN(CC(C(=O)O)O)CC(=O)O	0.15	0.0
Compound_7118	CCCCCCCCC=CCCCCCCCCN(CCC(=O)O)CCC(=O)O	0.26	0.0
Compound_7119	CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O	0.27	0.0
Compound_7120	CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O	0.27	0.0
Compound_7121	CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O	0.27	0.0
Compound_7122	CCN1C(=O)C(N=Nc2cc(ccc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O)nc(n2)Cl)C(=C(C1=O)C(=O)N)C	0.24	0.0
Compound_7123	CCN1C(=O)C(N=Nc2cc(Nc3nc(Cl)nc(n3)Cl)c(cc2S(=O)(=O)O)S(=O)(=O)O)C(=C(C1=O)C(=O)N)C	0.23	0.0
Compound_7124	CCN1C(=O)C(N=Nc2cc(ccc2S(=O)(=O)O)Nc2nc(F)nc(n2)Nc2cc(ccc2Cl)S(=O)(=O)O)C(=C(C1=O)C(=O)N)C	0.22	0.0
Compound_7125	CCN1C(=O)C(N=Nc2cc(ccc2S(=O)(=O)O)Nc2nc(Nc3ccc(cc3)c3nc4c(s3)c(c(cc4)C)S(=O)(=O)O)nc(n2)Cl)C(=C(C1=O)C(=O)N)C	0.29	0.0
Compound_7126	CCCCC(CN(CCC(=O)O)CCC(=O)O)CC	0.28	0.0
Compound_7127	CCCCCCCCCCCCCC(=O)N(CCC(=O)O)C	0.36	0.0
Compound_7128	CCN1C(=O)C(N=Nc2cc(ccc2S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)CCOS(=O)(=O)O)C(=C(C1=O)C(=O)N)C	0.24	0.0
Compound_7129	CCCCCCCCCCCCCCCCCC(=O)NCCN(C(=O)CCCCCCCCCCCCCCCCC)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCC(=O)N	0.19	0.0
Compound_7130	CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(C(=O)CCCCCCCCCCCCCCCCC)CCC(=O)N)CCC(=O)N	0.17	0.0
Compound_7131	CCCCCCCCCCCCCCCCCC(=O)NCCN(C(=O)CCCCCCCCCCCCCCCCC)CCN(CCC(=O)N)CCC(=O)N	0.17	0.0
Compound_7132	CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC(=O)N)CCN(CCC(=O)N)CCC(=O)N	0.17	0.0
Compound_7133	CCC(COC(=O)CCN1CC1C)(COC(=O)CCN1CC1C)COC(=O)CCN1CC1C	0.22	0.0
Compound_7134	CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CCO)CCC(=O)[O-]	0.18	0.0
Compound_7135	CCCCCCCCCCCCCCCCCCN(C(C(=O)OCC(C)C)CC(=O)OCC(C)C)C(=O)C=CC(=O)O	0.36	0.0
Compound_7136	CCCCCCCCCCCCCCOC(=O)CCN1C(=O)C2(OC31CCCCCCCCCCC3)CC(C)(C)NC(C2)(C)C	0.08	0.0
Compound_7137	CCCCCCCCCCCCCCOC(=O)CCN1CCN(CC1)CCC(=O)OCCCCCCCCCCCCCC	0.16	0.0
Compound_7138	CCCCCCCCCCCCOC(=O)CCN1C(=O)C2(OC31CCCCCCCCCCC3)CC(C)(C)NC(C2)(C)C	0.08	0.0
Compound_7139	CCCCCCCCN(CCC(=O)O)CCC(=O)O	0.27	0.0
Compound_7140	CCCCN(C(=O)C)CCC(=O)OCC	0.47	0.0
Compound_7141	CCCCN(CCC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)CC)CCCC	0.35	0.0
Compound_7142	CCN(C(=O)CC(=O)C)CC	0.46	0.0
Compound_7143	CCN(CCC(=O)OCCCCCCOC(=O)C=C)CC	0.35	0.0
Compound_7144	CCN1C(=O)C(CS(=O)(=O)O)C(=C(C1=O)C(=O)N)C	0.26	0.0
Compound_7145	CCN1C(=O)CC(=C(C1=O)C(=O)N)C	0.12	0.0
Compound_7146	COCCN1C(=O)C(=C(C=c2sc3c(n2CC)c2ccccc2cc3)C=c2sc3c(n2CC)c2ccccc2cc3)C(=O)N(C1=O)CCOC	0.07	0.0
Compound_7147	CCOC(=O)C(C(=O)N1CCCCCC1n1c(=O)n(C2CCCCCN2C(=O)C(C(=O)OCC)C(=O)C)c(=O)n(c1=O)C1CCCCCN1C(=O)C(C(=O)OCC)C(=O)C)C(=O)C	0.08	0.0
Compound_7148	OC(c1ccccc1)CC1CCCC(N1C)CC(=O)c1ccccc1	0.1	0.0
Compound_7149	O=C(CCN1CCOCC1)OCCOCCOCCOCCOC(=O)CCN1CCOCC1	0.07	0.0
Compound_7150	O=C1CCN(CC1)Cc1ccccc1	0.05	0.0
Compound_7151	OC(=O)CN(CC1=CC2C(=CC1=O)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)O)CN(CC(=O)O)CC(=O)O)CC(=O)O	0.13	0.0
Compound_7152	O=C1N(OCC1(C)C)Cc1ccccc1Cl	0.75	1.0
Compound_7153	O=C1N(CCN2C(=O)c3c(C2=O)c(Cl)c(c(c3Cl)Cl)Cl)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl	0.1	0.0
Compound_7154	O=C1N(CCCCCCN2C(=O)c3c(C2=O)c(Cl)c(c(c3Cl)Cl)Cl)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl	0.14	0.0
Compound_7155	CCOC(=O)CC(=O)C	0.7	1.0
Compound_7156	CCOC(=O)CC(=O)C	0.7	1.0
Compound_7157	CCOC(=O)CC(=O)C	0.7	1.0
Compound_7158	CC(=O)OC1NC(=O)C1C(O[Si](C(C)(C)C)(C)C)C	0.58	1.0
Compound_7159	CC1=CC(=O)C(=C(O)C)C(=O)O1	0.37	0.0
Compound_7160	CC1=CC(=O)C(C(=O)O1)C(=O)C	0.37	0.0
Compound_7161	CC(=O)C1CCOC1=O	0.59	1.0
Compound_7162	CC(=CCOC(=O)CC(=O)C)CCC=C(C)C	0.68	1.0
Compound_7163	C=CCOC(=O)CC(=O)C	0.7	1.0
Compound_7164	[O-]C(=O)CC(C[N+](C)(C)C)OC(=O)C	0.11	0.0
Compound_7165	[O-]C(=O)CC(C[N+](C)(C)C)OC(=O)C	0.11	0.0
Compound_7166	C=CC(=O)OCC(COC(=O)C(COC(=O)C=C)(C)C)(C)C	0.66	1.0
Compound_7167	CC1OC(C(=O)C1=O)C	0.37	0.0
Compound_7168	O=C1CCOC1C	0.69	1.0
Compound_7169	CCCC(OC(=O)C)CC(=O)OCC	0.57	1.0
Compound_7170	CCCC(C(=O)OCC)(C(=O)OCC)CCC	0.71	1.0
Compound_7171	CCCCC(C(=O)OCC)C(=O)OCC	0.64	1.0
Compound_7172	CCCCCC(C(=O)OCC)C(=O)C	0.58	1.0
Compound_7173	CCOC(=O)C(C(=O)OCC)C(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)c(=O)n(c1=O)CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC	0.05	0.0
Compound_7174	CCOC(=O)C(C(OC(=O)C)C)C	0.6	1.0
Compound_7175	CCOC(=O)C(C(=O)C)CC(=C)C	0.68	1.0
Compound_7176	CCC(C(=O)OCC)(C(=O)OCC)CC	0.64	1.0
Compound_7177	CCOC(=O)C(C(=O)OCC)F	0.63	1.0
Compound_7178	CCOC(=O)CC(=O)C(C)(C)C	0.61	1.0
Compound_7179	CCOC(=O)CC(=O)CC(=O)OCC	0.6	1.0
Compound_7180	CCOC(=O)CC(=O)OCC	0.61	1.0
Compound_7181	CCOC(=O)CC(C(=O)OCC)C(=O)OCC	0.59	1.0
Compound_7182	CCOC=C(C(=O)OCC)C(=O)OCC	0.5	0.0
Compound_7183	CCOCCC(=O)OCC	0.78	1.0
Compound_7184	CCOC(=N)CC(=O)OCC	0.51	1.0
Compound_7185	CCOC(=O)C(C(=O)OCC)N	0.42	0.0
Compound_7186	CO[Si](CCCOC(=O)CC(=O)C)(OC)OC	0.7	1.0
Compound_7187	O=C1CCOCC1	0.74	1.0
Compound_7188	OC(=O)CCOC(=O)C=C	0.32	0.0
Compound_7189	CC(CC(C(=CC(=O)C(CC(CC(CCC(=O)O)C)C)C)O)C)CC=CC(C(C(C(CC1CCC(O1)(C)C1CCC(O1)(C)C(O)C)O)C)O)C	0.38	0.0
Compound_7190	CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)O)C)C	0.49	0.0
Compound_7191	CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)O)C)C	0.49	0.0
Compound_7192	CC1=CC2(OC(C1)C(C=CC1CCC3(O1)CCC1C(O3)C(O)C(=C)C(O1)C(CC(C1OC3(CCCCO3)CCC1C)C)O)C)OC(CCC2O)CC(C(=O)O)(O)C	0.15	0.0
Compound_7193	CC(CC(C(=O)CC(=O)C(CC(CC(CCC(=O)O)C)C)C)C)CC=CC(C(C(C(CC1CCC(O1)(C)C1CCC(O1)(C)C(O)C)O)C)O)C	0.39	0.0
Compound_7194	OCC1OC(OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3C2(C)CCC3C(OC2OC(COC3OC(C(C3O)O)CO)C(C(C2O)O)O)(CCC=C(C)C)C)C)C)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O	0.15	0.0
Compound_7195	OCC1OC(OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3C2(C)CCC3C(OC2OC(COC3OC(CO)C(C(C3O)O)O)C(C(C2O)O)O)(CCC=C(C)C)C)C)C)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O	0.16	0.0
Compound_7196	OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O	0.45	0.0
Compound_7197	OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O	0.45	0.0
Compound_7198	OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O	0.45	0.0
Compound_7199	OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O	0.45	0.0
Compound_7200	OCC1OC(OC2C(OC(C(C2O)OC2OC(CO)C(C(C2O)O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CC(C2(C3CC(C)(C)C(C2OC(=O)C)OC(=O)C(=CC)C)CO)O)C)C)C(C(C1O)O)O	0.14	0.0
Compound_7201	OCC(C1OC(=O)C(C1=O)OC1OC(CO)C(C(C1O)O)O)O	0.28	0.0
Compound_7202	CCCCCCCCC(C(=O)OC(C1OC(=O)C(=C1OC(=O)C(CCCCCCCC)CCCCCC)OC(=O)C(CCCCCCCC)CCCCCC)COC(=O)C(CCCCCCCC)CCCCCC)CCCCCC	0.42	0.0
Compound_7203	OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C	0.42	0.0
Compound_7204	OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C	0.42	0.0
Compound_7205	OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C	0.42	0.0
Compound_7206	OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C	0.42	0.0
Compound_7207	OCC1OC(OCC2OC(OC(=O)C34CCC(C(C4C4=CCC5C(C4(CC3)C)(C)CCC3C5(C)CC(C(C3(C)CO)O)O)C)C)C(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)O)O)O	0.2	0.0
Compound_7208	OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO	0.55	1.0
Compound_7209	CCCCCCCC(=O)OC(C1OCC(C1O)O)CO	0.46	0.0
Compound_7210	OCC(C1OCC(C1O)O)OC(=O)CCCCCCCCCCCCCCC(C)C	0.42	0.0
Compound_7211	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C1OCC(C1O)O)CO	0.46	0.0
Compound_7212	CCCCCCCCCC(=O)OC1(OC(CO)C(C(C1O)O)O)C1(CO)OC(C(C1O)O)CO	0.44	0.0
Compound_7213	CCCCCCCCCCCCCC(=O)OC1(OC(CO)C(C(C1O)O)O)C1(CO)OC(C(C1O)O)CO	0.44	0.0
Compound_7214	CCCCCCCCCCCCCCCC(=O)OCC1OC(C(C1OC(=O)CCCCCCCCCCCCCCC)O)(CO)OC1OC(CO)C(C(C1O)O)O	0.45	0.0
Compound_7215	OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)COC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)C(O)C4O)CO)C(O)C3O)CO	0.47	0.0
Compound_7216	CC(=O)OCC1(OC2OC(COC(=O)C)C(C(C2OC(=O)C)OC(=O)C)OC(=O)C)OC(C(C1OC(=O)C)OC(=O)C)COC(=O)C	0.36	0.0
Compound_7217	O=N(=O)OC1COC2C1OCC2ON(=O)=O	0.17	0.0
Compound_7218	COC1COC2C1OCC2OC	0.54	1.0
Compound_7219	CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COCC(OC(=O)CCC)COCC(COCC(OC(=O)CC)COCC(OC(=O)CCCC)CO)O)O)O	0.24	0.0
Compound_7220	CCCCOCCOCCOP(=O)(O)O	0.88	1.0
Compound_7221	CCCC(=O)OCC1OC(C2C1OP(=O)(O2)O)n1cnc2c1ncnc2N=C(CCC)O	0.1	0.0
Compound_7222	OC(=O)COCCOCC(=O)O	0.65	1.0
Compound_7223	CC(CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(S(=O)(=O)O)CC(=O)O)C	0.55	1.0
Compound_7224	CCCCCCCCCCCCOCCOCCOCCC(C(S(=O)(=O)O)C(=O)O)C(=O)O	0.57	1.0
Compound_7225	CCCCCCCCCCCCOCCOCCOCCOC(=O)CC(S(=O)(=O)O)C(=O)O	0.54	1.0
Compound_7226	CCOCCOCCOP(=O)(O)O	0.78	1.0
Compound_7227	CC(CCCCCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)O)C)C)C	0.59	1.0
Compound_7228	COC(C(C1OC2(CCC(O2)(C)C2CCC(O2)(CC)C2OC(CC2C)C2OC(O)(CO)C(CC2C)C)CC(C1C)O)C)C(C(=O)O)C	0.35	0.0
Compound_7229	CCCCCCCCc1ccccc1OCCOCCOCCS(=O)(=O)O	0.58	1.0
Compound_7230	CCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)O)C)C	0.49	0.0
Compound_7231	CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.68	1.0
Compound_7232	CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.68	1.0
Compound_7233	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O	0.68	1.0
Compound_7234	CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.68	1.0
Compound_7235	CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O	0.68	1.0
Compound_7236	CCCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.68	1.0
Compound_7237	CCCCOCCOCC(=O)O	0.83	1.0
Compound_7238	O(CC1OC1)CCOCC1OC1	0.75	1.0
Compound_7239	O(CCOCC1OC1)CCOCC1OC1	0.75	1.0
Compound_7240	O(CC1OC1)CC(COCC1OC1)OCC1OC1	0.65	1.0
Compound_7241	C[Si]1(C)OCCOCCOCCOCCOCCO1	0.75	1.0
Compound_7242	C=CC(=O)OCCOC(COCCOC(=O)C=C)COCCOC(=O)C=C	0.61	1.0
Compound_7243	C=CC(=O)OCCOCCOC(=O)C=C	0.69	1.0
Compound_7244	C=CC(=O)OCCOCCOCCOC(=O)C=C	0.69	1.0
Compound_7245	C=CC(=O)OCCOCCOCCOCCOC(=O)C=C	0.69	1.0
Compound_7246	C=COCCOCCOCCOC=C	0.77	1.0
Compound_7247	C1OCCOCCOc2c(OC1)cccc2	0.82	1.0
Compound_7248	O1CCOCCOc2c(OCCOCC1)cccc2	0.82	1.0
Compound_7249	C1COCCOc2ccccc2OCCOCCOCCOc2c(OCCO1)cccc2	0.83	1.0
Compound_7250	O1CCOCCOc2ccccc2OCCOCCOCCOCCOc2c(OCCOCC1)cccc2	0.83	1.0
Compound_7251	C1OCCOc2ccccc2OCCOCCOCCOC1	0.82	1.0
Compound_7252	O1CCOCCOCCOCC1	0.86	1.0
Compound_7253	O1CCOCCOCCOCCOCC1	0.86	1.0
Compound_7254	O1CCOCCOCCOCCOCCOCC1	0.86	1.0
Compound_7255	OC(COC(=O)C(=C)C)COCCOCC(COC(=O)C(=C)C)O	0.51	1.0
Compound_7256	O=C(C(=C)C)OCCOCCOC(=O)C(=C)C	0.79	1.0
Compound_7257	O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C	0.79	1.0
Compound_7258	O=C(C(=C)C)OCCOCCOCCOCCOC(=O)C(=C)C	0.79	1.0
Compound_7259	CC(=O)OCC1OC(CC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.34	0.0
Compound_7260	CC(=O)OCC1OC(O)C(C(C1OC1OC(COC(=O)C)C(C(C1O)OC(=O)c1ccccc1C(=O)O)O)O)OC(=O)c1ccccc1C(=O)O	0.33	0.0
Compound_7261	CC(=O)OCC1OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.32	0.0
Compound_7262	CC(=O)OCC1OC(OC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.27	0.0
Compound_7263	CC(=O)OCC1OC(OC(=O)C)C(C(C1OC1OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	0.26	0.0
Compound_7264	CC(=O)OCCOCCOC(=O)C	0.73	1.0
Compound_7265	CC(=O)OCCOCCOCCOC(=O)C	0.73	1.0
Compound_7266	CC(=O)OCC1OC(OC2(COC(=O)C(C)C)OC(C(C2OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C)C(C(C1OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C	0.4	0.0
Compound_7267	CC(CCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)OC(=O)CCCCCCCCCCCCCCC(C)C)C	0.26	0.0
Compound_7268	CC(CCCCCCCCCCCCCCC(=O)OCCOC(COCCOC(=O)CCCCCCCCCCCCCCC(C)C)COCCOC(=O)CCCCCCCCCCCCCCC(C)C)C	0.46	0.0
Compound_7269	OCCOCCOCC(C)C	0.84	1.0
Compound_7270	CC(COC(C)C)OCC(O)C	0.69	1.0
Compound_7271	OCCOCCOC(C)C	0.81	1.0
Compound_7272	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OC(=NCCCCCCN=C(OC(COC(COC(COC(COC(COC(CO)C)C)C)C)C)C)O)O)C)C)C)C)C)C)C	0.31	0.0
Compound_7273	C=CC(=O)OCC(OCC(OCC(OC(=O)C=C)C)C)C	0.54	1.0
Compound_7274	CC(COCC(COCC(OCC1OC1)C)(C)C)OCC1OC1	0.64	1.0
Compound_7275	C=CC(=O)OC(COC(COCC(OC(=O)C=C)C)COCC(OC(=O)C=C)C)C	0.47	0.0
Compound_7276	C=CC(=O)OCC(COCC(OCC(COC(=O)C=C)O)C)O	0.5	0.0
Compound_7277	CC(COCCOCCOCC(N)C)N	0.3	0.0
Compound_7278	OCC(OCC(OCC(OCC(O)C)C)C)C	0.76	1.0
Compound_7279	OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C	0.76	1.0
Compound_7280	CC(OCC(O)C)COCC(O)C	0.69	1.0
Compound_7281	O=C(CCc1cc(C)c(c(c1)C(C)(C)C)O)OCCOCCOCCOC(=O)CCc1cc(C)c(c(c1)C(C)(C)C)O	0.51	1.0
Compound_7282	C=CC(=O)OCC(OCCOCC(COCCOC(COC(=O)C=C)C)(COCCOCC(OC(=O)C=C)C)CC)C	0.4	0.0
Compound_7283	CCCCC(C(=O)OCCOCCOCCOC(=O)C(CCCC)CC)CC	0.42	0.0
Compound_7284	CCCCC(C(=O)OCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.42	0.0
Compound_7285	CCCCC(COCCOCCO)CC	0.91	1.0
Compound_7286	OCCOCCOCCOCC(CCCC)CC	0.9	1.0
Compound_7287	CCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCC	0.64	1.0
Compound_7288	CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC	0.64	1.0
Compound_7289	CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC	0.64	1.0
Compound_7290	CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(OC)C(C(C1O)O)OC(=O)CCCCCCCC=CCCCCCCCC	0.3	0.0
Compound_7291	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCO	0.77	1.0
Compound_7292	CCCCCCCCC=CCCCCCCCCOCCOCCOCCO	0.9	1.0
Compound_7293	CCCCCCCCC=CCCCCCCCCOCCOCCOCCO	0.9	1.0
Compound_7294	CCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCC	0.64	1.0
Compound_7295	CCCCCCCCC(COCCOCCO)CCCCCC	0.91	1.0
Compound_7296	CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(OC)C(C(C1OCCO)OCCO)OC(=O)CCCCCCCC=CCCCCCCCC	0.57	1.0
Compound_7297	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCC=CCCCCCCCC	0.63	1.0
Compound_7298	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCOCCOC	0.76	1.0
Compound_7299	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC	0.9	1.0
Compound_7300	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCO	0.84	1.0
Compound_7301	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCO	0.94	1.0
Compound_7302	CCCCCCCCCCCC(=O)OC1C(O)C(O)C(OC1(OC(=O)CCCCCCCCCCC)C1(CO)OC(C(C1O)O)CO)CO	0.4	0.0
Compound_7303	CCCCCCCCCCCC(=O)OC1(OC(CO)C(C(C1O)O)O)C1(CO)OC(C(C1O)O)CO	0.44	0.0
Compound_7304	CCCCCCCCCCCC(=O)OCC1OC(OC)C(C(C1O)O)O	0.48	0.0
Compound_7305	CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCC	0.64	1.0
Compound_7306	CCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(O)C(OC1(OC(=O)CCCCCCCCCCCCCCCCC)C1(CO)OC(C(C1O)O)CO)CO	0.4	0.0
Compound_7307	CCCCCCCCCCCCCCCCCC(=O)OC(C1OCC(C1OC(=O)CCCCCCCCCCCCCCCCC)O)CO	0.59	1.0
Compound_7308	CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC	0.47	0.0
Compound_7309	CCCCCCCCCCCCCCCCCC(=O)OCC1(OC2OC(COC(=O)CCCCCCCCCCCCCCCCC)C(C(C2O)O)O)OC(C(C1O)O)COC(=O)CCCCCCCCCCCCCCCCC	0.36	0.0
Compound_7310	CCCCCCCCCCCCCCCCCC(=O)OCCOCCO	0.82	1.0
Compound_7311	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC	0.64	1.0
Compound_7312	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO	0.82	1.0
Compound_7313	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC	0.64	1.0
Compound_7314	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.82	1.0
Compound_7315	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C1OCC(C1OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC)CO	0.52	1.0
Compound_7316	CCCCCCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_7317	CCCCCCCCCCCCCCCCCCOCCOCCO	0.98	1.0
Compound_7318	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCO	0.96	1.0
Compound_7319	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_7320	CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_7321	CCCCCCCCCCCCCCCCOCC(CN(C(=O)CCCCCCCCCCCCC)CCCOC)OCC(CO)O	0.3	0.0
Compound_7322	CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCC	0.78	1.0
Compound_7323	CCCCCCCCCCCCOCCOCC(=O)O	0.78	1.0
Compound_7324	CCCCCCCCCCCCOCCOCCO	0.98	1.0
Compound_7325	CCCCCCCCCCCCOCCOCCOCCO	0.96	1.0
Compound_7326	CCCCCCCCCCCCOCCOCCOCCOC(=O)C=CC(=O)O	0.67	1.0
Compound_7327	CCCCCCCCCCCCOCCOCCOCCOCCO	0.96	1.0
Compound_7328	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_7329	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_7330	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_7331	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_7332	CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCOCCCCCCCCCCCC)O	0.83	1.0
Compound_7333	CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC	0.66	1.0
Compound_7334	CCCCCCOCCOCCO	0.98	1.0
Compound_7335	CCCCCCOCCOCCOCCO	0.96	1.0
Compound_7336	CCCCCOCCOCCO	0.98	1.0
Compound_7337	CCCCCOCCOCCOCCO	0.96	1.0
Compound_7338	CCCCCOCCOCCOCCOCCO	0.96	1.0
Compound_7339	CCCCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_7340	CCCCOCC(OCC(O)C)C	0.77	1.0
Compound_7341	CCCCOCCOCC(O)C	0.77	1.0
Compound_7342	CCCCOCCOCC(OCC(O)C)C	0.7	1.0
Compound_7343	CCCCOCCOCCO	1.0	1.0
Compound_7344	CCCCOCCOCCOB(OCCOCCOCCCC)OCCOCCOCCCC	0.91	1.0
Compound_7345	CCCCOCCOCCOC(=O)C(=C)C	0.78	1.0
Compound_7346	CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC	0.8	1.0
Compound_7347	CCCCOCCOCCOC(=O)C	0.78	1.0
Compound_7348	CCCCOCCOCCOCc1cc2OCOc2cc1CCC	0.92	1.0
Compound_7349	CCCCOCCOCCOCCCC	0.92	1.0
Compound_7350	CCCCOCCOCCOCCO	0.99	1.0
Compound_7351	CCCCOCCOCCOCCOB(OCCOCCOCCOCCCC)OCCOCCOCCOCCCC	0.91	1.0
Compound_7352	CCCCOCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOCCCC	0.8	1.0
Compound_7353	CCCCOCCOCCOCCOC(=O)CCCC(=O)OCCOCCOCCOCCCC	0.8	1.0
Compound_7354	CCCCOCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCOCCCC	0.8	1.0
Compound_7355	CCCCOCCOCCOCCOCCO	0.99	1.0
Compound_7356	CCCCOCCOCCOCCOCCOB(OCCOCCOCCOCCOCCCC)OCCOCCOCCOCCOCCCC	0.91	1.0
Compound_7357	CCCCOCCOCCOCCOCCOCCO	0.99	1.0
Compound_7358	CCCCOCCOCCOCO	0.84	1.0
Compound_7359	CCCCOCCOCCOCOCCOCCOCCCC	0.89	1.0
Compound_7360	CCCCOCCOCCOP(Oc1ccccc1)Oc1ccccc1	0.85	1.0
Compound_7361	CCOCCOC(=O)COc1ccc(cc1)C1=c2cc3OC(=O)C(=c3cc2OC1=O)c1ccc(cc1)OCCC	0.5	0.0
Compound_7362	CCCOCC(OCC(O)C)C	0.8	1.0
Compound_7363	CCCOCCOCCO	0.96	1.0
Compound_7364	OCC1OC(OC)C(C(C1OCCCCCCCCCCCCCCCCCC(=O)O)O)O	0.42	0.0
Compound_7365	CCOCCOC(=O)COc1ccc(cc1)C1=c2cc3OC(=O)C(=c3cc2OC1=O)c1ccccc1	0.56	1.0
Compound_7366	OCCOCCOCC	0.97	1.0
Compound_7367	COCCOCCOCC	0.84	1.0
Compound_7368	CCOCCOCCOC(=O)C(=C)C	0.78	1.0
Compound_7369	CCOCCOCCOC(=O)C=C	0.73	1.0
Compound_7370	CCOCCOCCOC(=O)C	0.84	1.0
Compound_7371	CCOCCOCCOCC	0.93	1.0
Compound_7372	OCCOCCOCCOCC	0.95	1.0
Compound_7373	CCOCCOCCOCCOB(O)O	0.77	1.0
Compound_7374	CCOCCOCCOCCOC(=O)C(=C)C	0.78	1.0
Compound_7375	OCCOCCOCCOCCOCC	0.95	1.0
Compound_7376	OCCOCCOCCOCCOCCOCC	0.95	1.0
Compound_7377	CCOCCOCCOCCOCCOCCOCC	0.89	1.0
Compound_7378	C=CC(=O)OCCOCCOC(=O)c1ccccc1C(=O)c1ccc(cc1)Cl	0.78	1.0
Compound_7379	OCCOCCOCCN(C)C	0.44	0.0
Compound_7380	OCC(OCC(OCC(OC)C)C)C	0.79	1.0
Compound_7381	CC(OCC(OC)C)COCC=C	0.62	1.0
Compound_7382	OCC1OC(Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O	0.3	0.0
Compound_7383	COC1C(CO)OC(C(C1O)O)OCC1OC(OC2C(CO)OC(C(C2O)O)C)C(C(C1OC1OC(CO)C(C(C1OC(=O)C)O)OC)O)O	0.46	0.0
Compound_7384	COCC(OCC(OCC(O)C)C)C	0.73	1.0
Compound_7385	COCC(OCC(OCC(OC)C)C)C	0.71	1.0
Compound_7386	COCCOCCOC(=O)C=CC(=O)OCCOCCOC	0.78	1.0
Compound_7387	COCCOCCOC(=O)C(=C)C	0.77	1.0
Compound_7388	COCCOCCOC(C)C	0.72	1.0
Compound_7389	COCCOCCOCCO	0.99	1.0
Compound_7390	COCCOCCOCCOB(O)O	0.83	1.0
Compound_7391	COCCOCCOCCOB(OCCOCCOCCOC)OCCOCCOCCOC	0.78	1.0
Compound_7392	COCCOCCOCCOC	0.86	1.0
Compound_7393	COCCOCCOCCOC(=O)C(=C)C	0.77	1.0
Compound_7394	COCCOCCOCCOC(=O)C=C	0.74	1.0
Compound_7395	COCCOCCOCCOCCN	0.46	0.0
Compound_7396	COCCOCCOCCOCCNCCOCCOCCOCCOC	0.45	0.0
Compound_7397	COCCOCCOCCOCCO	0.99	1.0
Compound_7398	COCCOCCOCCOCCOB(OCCOCCOCCOCCOC)OCCOCCOCCOCCOC	0.78	1.0
Compound_7399	COCCOCCOCCOCCOC	0.86	1.0
Compound_7400	COCCOCCOCCOCCOCCO	0.99	1.0
Compound_7401	COCCOCCOCCOCCOCCOC	0.86	1.0
Compound_7402	COCCOCCOCCOCCOCCOCCOCCOC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F	0.7	1.0
Compound_7403	NCCCOCCOCCOCCCN	0.34	0.0
Compound_7404	NCCOCCOCCOCCN	0.38	0.0
Compound_7405	OCC1OC(C(C1O)O)(CO)OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O	0.65	1.0
Compound_7406	OCC1OC(C(C1O)O)(CO)OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O	0.65	1.0
Compound_7407	OC1C(O)OC2C1OC(=O)C2O	0.49	0.0
Compound_7408	OC1COC2C1OCC2O	0.19	0.0
Compound_7409	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	0.81	1.0
Compound_7410	OC(=O)COCCOCCOCC(=O)O	0.69	1.0
Compound_7411	C=CC(=O)OCC(COCCOCCOCCOCCOCC(COC(=O)C=C)O)O	0.58	1.0
Compound_7412	OCC(C(C(C(C=O)O)O)OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O	0.3	0.0
Compound_7413	OCC(C1OC2C(C1O)OC(O2)C(Cl)(Cl)Cl)O	0.33	0.0
Compound_7414	OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC6C(OC(OC1C(C2O)O)C(O)C6O)CO)C(O)C5O)CO)C(O)C4O)CO)C(C3O)O)CO	0.55	1.0
Compound_7415	OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(C3O)O)CO	0.55	1.0
Compound_7416	OC1OC2OC(O)C(OC2OC1O)O	0.59	1.0
Compound_7417	OCCOCC(C(C(C(OCCO)C=O)OCCO)OCCO)OCCO	0.73	1.0
Compound_7418	OCCOCCOCC#C	0.91	1.0
Compound_7419	OCCOCCOCCO	0.98	1.0
Compound_7420	OCCOCCOCCOC(=O)c1ccccc1C(=O)O	0.72	1.0
Compound_7421	OCCOCCOCCOc1ccccc1	0.8	1.0
Compound_7422	OCCOCCOCCOCCO	0.98	1.0
Compound_7423	OCCOCCOCCOCCOc1ccccc1	0.8	1.0
Compound_7424	OCCOCCOCCOCCOCCO	0.98	1.0
Compound_7425	OCCOCCOCCOCCOCCOCCO	0.98	1.0
Compound_7426	OCCOCCOCCOCCOCCOCCOCCOCCO	0.98	1.0
Compound_7427	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.98	1.0
Compound_7428	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.98	1.0
Compound_7429	CC(OP(=S)(OC(C)C)S)C	0.71	1.0
Compound_7430	CC(OP(=S)(OC(C)C)S)C	0.71	1.0
Compound_7431	CC(OP(=S)(OC(C)C)S)C	0.71	1.0
Compound_7432	CC(OP(=S)(OC(C)C)S)C	0.71	1.0
Compound_7433	SP(=S)(OC1CCCCC1)OC1CCCCC1	0.72	1.0
Compound_7434	CC(COP(=S)(OCC(C)C)S)C	0.84	1.0
Compound_7435	CC(COP(=S)(OCC(C)C)S)C	0.84	1.0
Compound_7436	CCC(OP(=S)(OC(CC)C)S)C	0.84	1.0
Compound_7437	CCOP(=S)(OCC)S	0.89	1.0
Compound_7438	CC(OP(=S)(OC(CC(C)C)C)S)CC(C)C	0.8	1.0
Compound_7439	CC(OP(=S)(OC(CC(C)C)C)S)CC(C)C	0.8	1.0
Compound_7440	CCCCC(COP(=S)(OCC(CCCC)CC)S)CC	0.81	1.0
Compound_7441	CCCCC(COP(=S)(OCC(CCCC)CC)S)CC	0.81	1.0
Compound_7442	CCCCC(COP(=S)(OCC(CCCC)CC)S)CC	0.81	1.0
Compound_7443	CCCCC(COP(=S)(OCC(CCCC)CC)S)CC	0.81	1.0
Compound_7444	CCCOP(=S)(OCCC)S	0.83	1.0
Compound_7445	CCCCC(COP(=S)(OCC(C)C)S)CC	0.81	1.0
Compound_7446	CCCCOP(=S)(OCCCC)S	0.85	1.0
Compound_7447	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	0.56	1.0
Compound_7448	CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC	0.39	0.0
Compound_7449	CCOP(=S)(Oc1ccc(=O)n(n1)c1ccccc1)OCC	0.38	0.0
Compound_7450	CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC	0.47	0.0
Compound_7451	CCOP(=S)(OP(=S)(OCC)OCC)OCC	0.92	1.0
Compound_7452	CCOP(=S)(OCC)Cl	0.9	1.0
Compound_7453	Clc1ccc(c(c1)Cl)C(=O)C	0.81	1.0
Compound_7454	CCCC(=O)c1ccc(cc1Cl)Cl	0.82	1.0
Compound_7455	CCCC1COC(O1)(CBr)c1ccc(cc1Cl)Cl	0.8	1.0
Compound_7456	CCCCC(=O)c1ccc(cc1Cl)Cl	0.78	1.0
Compound_7457	OC(=O)Cc1ccc(cc1Cl)Cl	0.64	1.0
Compound_7458	CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC	0.33	0.0
Compound_7459	COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC	0.72	1.0
Compound_7460	Nc1ccc(c(c1)Oc1ncc(cc1Cl)C(F)(F)F)Cl	0.38	0.0
Compound_7461	Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)C	0.98	1.0
Compound_7462	Clc1ccc(c(c1)C(=O)C)Cl	0.81	1.0
Compound_7463	CC(=O)c1ccccc1Cl	0.81	1.0
Compound_7464	N#CCc1ccccc1Cl	0.69	1.0
Compound_7465	OC(=O)Cc1ccccc1Cl	0.64	1.0
Compound_7466	[SiH3]CCCCC(Cl)(Cl)Cl	0.81	1.0
Compound_7467	ClC([Si](O[Si](C(Cl)Cl)(C)C)(C)C)Cl	0.39	0.0
Compound_7468	CC(C(Cl)(Cl)Cl)(O)C	0.28	0.0
Compound_7469	CC(C(Cl)(Cl)Cl)(O)C	0.28	0.0
Compound_7470	CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C	0.6	1.0
Compound_7471	CC(Cl)Cl	0.95	1.0
Compound_7472	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.79	1.0
Compound_7473	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.79	1.0
Compound_7474	ClC(=CC1C(C1(C)C)C(=O)O)Cl	0.86	1.0
Compound_7475	ClC(=CC1C(C1(C)C)C(=O)O)Cl	0.86	1.0
Compound_7476	ClC(=CC1C(C1(C)C)C(=O)O)Cl	0.86	1.0
Compound_7477	ClC(=CC1C(C1(C)C)C(=O)Cl)Cl	0.8	1.0
Compound_7478	ClC(=CC1C(C1(C)C)C(=O)Cl)Cl	0.8	1.0
Compound_7479	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.79	1.0
Compound_7480	CCC(Cl)(Cl)Cl	0.86	1.0
Compound_7481	CCC=C(Cl)Cl	0.9	1.0
Compound_7482	CCOC(C(Cl)(Cl)Cl)O	0.78	1.0
Compound_7483	ClC(c1ccccc1)(Cl)Cl	0.92	1.0
Compound_7484	ClC(c1nc(nc(n1)c1ccc2c(c1)OCO2)C(Cl)(Cl)Cl)(Cl)Cl	0.63	1.0
Compound_7485	ClC(SN(S(=O)(=O)c1ccccc1)c1ccccc1)(Cl)Cl	0.64	1.0
Compound_7486	ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl	0.85	1.0
Compound_7487	ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl	0.75	1.0
Compound_7488	Clc1ccccc1C(Cl)(Cl)Cl	0.7	1.0
Compound_7489	ClCCC(Cl)(Cl)Cl	0.85	1.0
Compound_7490	ClCCCCC(Cl)(Cl)Cl	0.85	1.0
Compound_7491	COC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.68	1.0
Compound_7492	COC(=O)CC(C(CC(Cl)(Cl)Cl)Cl)(C)C	0.78	1.0
Compound_7493	COc1ccc(cc1Br)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	0.58	1.0
Compound_7494	COc1cc(ccc1OC)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	0.53	1.0
Compound_7495	COc1ccc(cc1)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	0.64	1.0
Compound_7496	COP(=O)(C(C(Cl)(Cl)Cl)O)OC	0.4	0.0
Compound_7497	COP(=O)(OC=C(Cl)Cl)OC	0.19	0.0
Compound_7498	OC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.64	1.0
Compound_7499	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.35	0.0
Compound_7500	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.35	0.0
Compound_7501	CCN(S(=O)(=O)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)CCOP(=O)(OCCN(S(=O)(=O)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)CC)O	0.37	0.0
Compound_7502	CCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(OCCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC)O	0.37	0.0
Compound_7503	CCCN(S(=O)(=O)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)CC(=O)O	0.26	0.0
Compound_7504	CCN(S(=O)(=O)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)CC(=O)O	0.35	0.0
Compound_7505	CCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.35	0.0
Compound_7506	CCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.35	0.0
Compound_7507	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.35	0.0
Compound_7508	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.35	0.0
Compound_7509	OC(=O)C1CCCN1S(=O)(=O)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	0.15	0.0
Compound_7510	O=C1c2ccccc2S(=O)(=O)N1CCCS(=O)(=O)O	0.28	0.0
Compound_7511	CC(N1C(=O)c2ccccc2NS1(=O)=O)C	0.65	1.0
Compound_7512	CC(N1C(=O)c2ccccc2NS1(=O)=O)C	0.65	1.0
Compound_7513	CN(CCCN(S(=O)(=O)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)CC(CS(=O)(=O)O)O)C	0.38	0.0
Compound_7514	CN(CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O)C	0.38	0.0
Compound_7515	CCN(S(=O)(=O)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)CCOP(=O)(O)O	0.34	0.0
Compound_7516	CCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(O)O	0.34	0.0
Compound_7517	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O	0.31	0.0
Compound_7518	OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O	0.33	0.0
Compound_7519	OCC[N+](CCCN(S(=O)(=O)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)CC(CS(=O)(=O)[O-])O)(C)C	0.39	0.0
Compound_7520	OCC[N+](CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)[O-])O)(C)C	0.39	0.0
Compound_7521	OCC[N+](CCCN(S(=O)(=O)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)CCCS(=O)(=O)[O-])(C)C	0.41	0.0
Compound_7522	OCC[N+](CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCS(=O)(=O)[O-])(C)C	0.41	0.0
Compound_7523	C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2	0.56	1.0
Compound_7524	O1CCN(CC1)Sc1nc2c(s1)cccc2	0.22	0.0
Compound_7525	O1CCN(CC1)SSc1nc2c(s1)cccc2	0.21	0.0
Compound_7526	O1CCN(CC1)SSN1CCOCC1	0.24	0.0
Compound_7527	CCCCCCCCC=CCCCCCCCCOC(=O)Nc1cc(ccc1C)NC(=O)OCCN(S(=O)(=O)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)C	0.26	0.0
Compound_7528	CCCCN(S(=O)(=O)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)CCO	0.43	0.0
Compound_7529	CCCCN(S(=O)(=O)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)CCOC(=O)C=C	0.28	0.0
Compound_7530	CCCCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.28	0.0
Compound_7531	CCCN(S(=O)(=O)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)CCO	0.39	0.0
Compound_7532	CCN(S(=O)(=O)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)CCC[Si](OC)(OC)OC	0.38	0.0
Compound_7533	CCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC[Si](OC)(OC)OC	0.38	0.0
Compound_7534	OCCN(S(=O)(=O)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)CC	0.38	0.0
Compound_7535	OCCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.38	0.0
Compound_7536	OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.38	0.0
Compound_7537	OCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.38	0.0
Compound_7538	OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC	0.38	0.0
Compound_7539	CCN(S(=O)(=O)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)CCOC(=O)C(=C)C	0.31	0.0
Compound_7540	CCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.31	0.0
Compound_7541	CCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.31	0.0
Compound_7542	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.31	0.0
Compound_7543	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.31	0.0
Compound_7544	CCN(S(=O)(=O)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)CCOC(=O)C=C	0.3	0.0
Compound_7545	CCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.3	0.0
Compound_7546	CCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.3	0.0
Compound_7547	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.3	0.0
Compound_7548	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.3	0.0
Compound_7549	Ic1cccc2c1cccc2S(=O)(=O)N1CCNCCC1	0.11	0.0
Compound_7550	ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl	0.71	1.0
Compound_7551	ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl	0.84	1.0
Compound_7552	O=C(C(N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1	0.39	0.0
Compound_7553	Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F	0.84	1.0
Compound_7554	CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C	0.85	1.0
Compound_7555	Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C	0.4	0.0
Compound_7556	Nc1ccccc1S(=O)(=O)N(C1CCCCC1)C	0.3	0.0
Compound_7557	CN(S(=O)(=O)c1ccccc1)CCCCCC(=O)O	0.2	0.0
Compound_7558	CN(S(=O)(=O)c1ccccc1)CCCCCC(=O)O	0.2	0.0
Compound_7559	CN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCOC(=O)C(=C)C	0.34	0.0
Compound_7560	CN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCOC(=O)C(=C)C	0.34	0.0
Compound_7561	CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCOC(=O)C(=C)C	0.34	0.0
Compound_7562	OCCN(S(=O)(=O)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)C	0.39	0.0
Compound_7563	OCCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.39	0.0
Compound_7564	OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.39	0.0
Compound_7565	OCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.39	0.0
Compound_7566	OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.39	0.0
Compound_7567	CN(S(=O)(=O)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)CCOC(=O)C(=C)C	0.29	0.0
Compound_7568	CN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.29	0.0
Compound_7569	CN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.29	0.0
Compound_7570	CN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.29	0.0
Compound_7571	CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.29	0.0
Compound_7572	C=CC(=O)OCCN(S(=O)(=O)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)C	0.26	0.0
Compound_7573	C=CC(=O)OCCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.26	0.0
Compound_7574	C=CC(=O)OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.26	0.0
Compound_7575	C=CC(=O)OCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.26	0.0
Compound_7576	C=CC(=O)OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.26	0.0
Compound_7577	CC(N1C(=O)c2ccccc2NS1(=O)=O)C	0.65	1.0
Compound_7578	COCCN(S(F)(F)F)CCOC	0.47	0.0
Compound_7579	FC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl	0.69	1.0
Compound_7580	O=C1CCCCCN1SSN1CCCCCC1=O	0.26	0.0
Compound_7581	O=C1N(SC2CCCCC2)C(=O)c2c1cccc2	0.44	0.0
Compound_7582	CC[N+]1=c2ccc(=CC=C3N(C)c4c(C3(C)C)cccc4)cc2c2c1cccc2	0.16	0.0
Compound_7583	CC1Cc2c([N+]1=CC=C1N(C)c3c(C1(C)C)cccc3)cccc2	0.18	0.0
Compound_7584	N#CCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cc(cc2)Cl)C	0.11	0.0
Compound_7585	N#CCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cc(cc2)Cl)C	0.11	0.0
Compound_7586	N#CCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.07	0.0
Compound_7587	COc1ccc2c(c1)C(C)(C)C([N+]2=CC=C1N(C)c2c(C1(C)C)cccc2)C	0.24	0.0
Compound_7588	CCC(=CC1Sc2c(N1CCCCS(=O)(=O)O)cc(cc2)Cl)C=c1sc2c(n1CCCCS(=O)(=O)O)cc(cc2)Cl	0.23	0.0
Compound_7589	C[N+](=NC=C1N(C)c2c(C1(C)C)cccc2)c1ccccc1	0.37	0.0
Compound_7590	O1CC1CN(c1ccccc1)CC1OC1	0.43	0.0
Compound_7591	C1OC1COc1ccc(cc1)N(CC1CO1)CC1CO1	0.34	0.0
Compound_7592	N#CCCN(c1ccc(c(c1)C)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.03	0.0
Compound_7593	N#CCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.07	0.0
Compound_7594	N#CCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.07	0.0
Compound_7595	N#CCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.07	0.0
Compound_7596	COc1ccc2c(c1)C(C)(C)C(N2C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.24	0.0
Compound_7597	CC(=O)C1C(=O)CN(C1=O)c1ccccc1	0.33	0.0
Compound_7598	N#CCCN(c1cccc(c1)NC(=O)C)CCOC(=O)C	0.13	0.0
Compound_7599	N#CCCN(c1cccc(c1)C)CCOC(=O)C	0.32	0.0
Compound_7600	N#CCCN(c1ccccc1)CCOC(=O)C	0.32	0.0
Compound_7601	CC(c1ccc(cc1)N(CC1OC1)CC1OC1)(c1ccc(cc1)C(c1ccc(cc1)N(CC1OC1)CC1OC1)(C)C)C	0.24	0.0
Compound_7602	CC(CN(c1ccc(cc1)C)CC(O)C)O	0.23	0.0
Compound_7603	CC(CN(c1cccc(c1)C)CC(O)C)O	0.23	0.0
Compound_7604	CC(CN(c1ccccc1)CC(O)C)O	0.23	0.0
Compound_7605	C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl	0.75	1.0
Compound_7606	Cc1cc(OCC2CO2)ccc1N(CC1CO1)CC1CO1	0.36	0.0
Compound_7607	O=C1OC(CN1c1cccc(c1C)N1CC(OC1=O)COc1ccc(cc1)C(c1ccc(cc1)OCC1OC1)c1ccc(cc1)OCC1OC1)COc1ccc(cc1)C(c1ccc(cc1)OCC1OC1)c1ccc(cc1)OCC1OC1	0.16	0.0
Compound_7608	OCCN(c1cccc(c1)C)CCC#N	0.32	0.0
Compound_7609	N#CC1C(c2cc(C)cc(c2C)COc2ccc(cc2)Cl)C2=C(N(C1=N)c1ccccc1C(F)(F)F)CC(CC2=O)(C)C	0.16	0.0
Compound_7610	N#CC(=C1N=C(c2c1cccc2)C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)Cl	0.1	0.0
Compound_7611	Cc1ccccc1N(CC1CO1)CC1CO1	0.44	0.0
Compound_7612	CC1CCCN(C1)c1cccc2c1C1=NC3=NC(=Nc4[nH]c(NC5=NC(=NC2=N1)c1c(cccc51)N1CCCC(C1)C)c1c4cccc1N1CCCC(C1)C)c1c3cccc1N1CCCC(C1)C	0.03	0.0
Compound_7613	CCC(C(=O)N(c1ccccc1)C)C	0.7	1.0
Compound_7614	CCCCN(c1ccc(cc1)C1=C(C#N)C(=NC1=O)C(C#N)C#N)C(CCCCC)C	0.23	0.0
Compound_7615	CCCCCCCCCCCCC1N(C)c2cccc3c2c(N1C)ccc3	0.15	0.0
Compound_7616	CCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)c1ccc(c(c1)NC1=NN(C(=O)C1N=Nc1ccc(c(c1)OCC)OCC)c1c(Cl)cc(cc1Cl)Cl)Cl	0.04	0.0
Compound_7617	CCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)c1ccc(c(c1)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl)Cl	0.06	0.0
Compound_7618	CCCCCCN(c1ccc(c(c1)C)C=C1C(=C(C#N)C#N)c2c(S1(=O)=O)cccc2)CCCCCC	0.14	0.0
Compound_7619	CCCCCOC(=O)COc1cc(c(cc1Cl)F)N1C(=O)C2=C(C1=O)CCCC2	0.2	0.0
Compound_7620	CCCCN(c1ccccc1)C(=O)C	0.44	0.0
Compound_7621	CCCCN(c1ccccc1)CCC#N	0.36	0.0
Compound_7622	CCCCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CCCC	0.17	0.0
Compound_7623	CCCCN(c1cccc(c1)O)CCCC	0.34	0.0
Compound_7624	CCCCN(c1ccc2c(c1)oc(=O)cc2C)CCCC	0.22	0.0
Compound_7625	CCCCN(c1ccc(cc1)C1=C(C#N)C(=NC1=O)C(C#N)C#N)CCCc1ccccc1	0.13	0.0
Compound_7626	CCCCN(c1ccc(c(c1)C)C=C(C#N)C#N)CCOC(=O)Nc1ccc(c(c1)Cl)Cl	0.22	0.0
Compound_7627	CCCN(c1cccc(c1)NS(=O)(=O)C)CCC	0.2	0.0
Compound_7628	CCN(c1cccc(c1)C)C(=O)CC	0.59	1.0
Compound_7629	CCN(c1ccc(c(c1)C)C=C(C#N)C#N)CC(OC(=O)Nc1ccccc1)COc1ccccc1	0.18	0.0
Compound_7630	CCN(c1ccccc1)CC(COc1ccccc1)O	0.33	0.0
Compound_7631	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N(C1CCCCC1)Cc1ccccc1)CC	0.12	0.0
Compound_7632	N#CCCN(c1cccc(c1)C)CC	0.34	0.0
Compound_7633	N#CCCN(c1ccccc1)CC	0.33	0.0
Compound_7634	CCN(c1ccccc1)CCC(=O)OC	0.32	0.0
Compound_7635	CCN(c1cccc(c1)C)CCC(=O)OCCOC(=O)CCl	0.41	0.0
Compound_7636	N#CC(=Cc1ccc(cc1C)N(CCOC(=O)CCCCOC(=O)CCN(c1ccc(c(c1)C)C=C(C#N)C#N)CC)CC)C#N	0.2	0.0
Compound_7637	CCN1c2ccccc2C(C1=C)(C)C	0.38	0.0
Compound_7638	CCN1c2ccccc2C(C1=CN=NCc1ccc(cc1)Cl)(C)C	0.26	0.0
Compound_7639	O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl	0.32	0.0
Compound_7640	O=Cc1ccc(cc1)N(CCC#N)C	0.32	0.0
Compound_7641	CN(c1ccccc1)CCC#N	0.32	0.0
Compound_7642	CN1c2ccccc2C(C1=C)(C)C	0.36	0.0
Compound_7643	O=CC=C1N(C)c2c(C1(C)C)cccc2	0.37	0.0
Compound_7644	Clc1ccc2c(c1)C(C)(C)C(=C)N2C	0.45	0.0
Compound_7645	COC(=O)c1ccc2c(c1)C(C)(C)C(=C)N2C	0.44	0.0
Compound_7646	COC(=O)CCN(c1cccc(c1)NC(=O)C)CCC(=O)OC	0.15	0.0
Compound_7647	COC(=O)CCN(c1ccccc1)CCC(=O)OC	0.31	0.0
Compound_7648	COc1cc(cc2c1OC1(C=C2)N(C)c2c(C1(C)C)cccc2)N(=O)=O	0.31	0.0
Compound_7649	COc1ccc(cc1)N(N=CC1(O)N(C)c2c(C1(C)C)cccc2)C	0.5	0.0
Compound_7650	N#CCCN(c1ccccc1)Cc1ccccc1	0.28	0.0
Compound_7651	N#CCCN(c1ccccc1)CCC#N	0.32	0.0
Compound_7652	Nc1cccc(c1)N1CCCCC1	0.05	0.0
Compound_7653	COc1ccc(cc1)CN=NC=C1N(C)c2c(C1(C)C)cccc2	0.25	0.0
Compound_7654	OCCN(c1ccccc1)CCC#N	0.3	0.0
Compound_7655	N#CCCN(c1ccc(c(c1)C)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.03	0.0
Compound_7656	CCCCCCCCC=CCCCCCCCCN(CC(C[N+](C)(C)C)O)CC(C[N+](C)(C)C)O	0.39	0.0
Compound_7657	OCC[N+](CCO)(C)C	0.48	0.0
Compound_7658	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.49	0.0
Compound_7659	CCCCCCCCCCCC[N+](CCO)(CCO)C	0.52	1.0
Compound_7660	CCCCCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO	0.22	0.0
Compound_7661	CCCCCCCCCCCCCCC(C[N+](CCO)(C)C)O	0.36	0.0
Compound_7662	CCCCCCCCCCCCCCC(C[N+](CCO)(C)C)O	0.36	0.0
Compound_7663	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(C)C	0.32	0.0
Compound_7664	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.32	0.0
Compound_7665	OCCN(CC(=O)O)C	0.39	0.0
Compound_7666	OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O	0.04	0.0
Compound_7667	OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O	0.04	0.0
Compound_7668	OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O	0.04	0.0
Compound_7669	OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O	0.04	0.0
Compound_7670	OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O	0.04	0.0
Compound_7671	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7672	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7673	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7674	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7675	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7676	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7677	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7678	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7679	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7680	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7681	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7682	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7683	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7684	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7685	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7686	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7687	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7688	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7689	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7690	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7691	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7692	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7693	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7694	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7695	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7696	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7697	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7698	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7699	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7700	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7701	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7702	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.08	0.0
Compound_7703	OCCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.15	0.0
Compound_7704	OCCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.15	0.0
Compound_7705	OCCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.15	0.0
Compound_7706	OCCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.15	0.0
Compound_7707	OCC1C(O)C(O)C(C2N1C(=O)C(=O)N2)O	0.12	0.0
Compound_7708	OC(=O)CN(CC(=O)O)CCCN(CC(=O)O)CC(=O)O	0.15	0.0
Compound_7709	OC(=O)CN(CC(=O)O)CCCN(CC(=O)O)CC(=O)O	0.15	0.0
Compound_7710	CN(CC(=O)O)CC(=O)O	0.18	0.0
Compound_7711	CN(CC(=O)O)CC(=O)O	0.18	0.0
Compound_7712	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7713	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7714	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7715	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7716	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7717	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7718	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7719	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7720	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7721	OC(=O)CN(C(P(=O)(O)O)(P(=O)(O)O)C)CC(=O)O	0.22	0.0
Compound_7722	OC(=O)CN(CC(=O)O)CC(=O)O	0.14	0.0
Compound_7723	OC(=O)CN(CC(=O)O)CC(=O)O	0.14	0.0
Compound_7724	OC(=O)CN(CC(=O)O)CC(=O)O	0.14	0.0
Compound_7725	OC(=O)CN(CC(=O)O)CC(=O)O	0.14	0.0
Compound_7726	OC(=O)CN(CC(=O)O)CC(=O)O	0.14	0.0
Compound_7727	OC(CS(=O)(=O)O)C[N+](CC(=O)O)(CC(CS(=O)(=O)O)O)CCCNS(=O)(=O)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	0.23	0.0
Compound_7728	OC(=O)CNCCN(CC(=O)O)CC(=O)O	0.16	0.0
Compound_7729	OC(=O)CNCCNCCN(CC(=O)O)CC(=O)O	0.14	0.0
Compound_7730	OC(=O)CN(C(C(=O)O)C)CC(=O)O	0.22	0.0
Compound_7731	CCCCCCCCCCCC(=O)NCCN(CC(=O)O)CCOCC(=O)O	0.19	0.0
Compound_7732	NC(=O)CN(CC(=O)O)CC(=O)O	0.13	0.0
Compound_7733	NC(=O)CN(CC(=O)O)CC(=O)O	0.13	0.0
Compound_7734	OCCN(CC(=O)O)CC(=O)O	0.21	0.0
Compound_7735	OCCN(CC(=O)O)CC(=O)O	0.21	0.0
Compound_7736	OCCN(CC(=O)O)CCNCC(=O)O	0.14	0.0
Compound_7737	CCCCCCCCC=CCCCCCCCC(=O)NCCN(CC(CS(=O)(=O)O)O)CCO	0.29	0.0
Compound_7738	CCCCCCCCCCCC(=O)NCCN(CC(=O)O)CCO	0.19	0.0
Compound_7739	CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-]	0.17	0.0
Compound_7740	CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-]	0.17	0.0
Compound_7741	CCCCOCC(CN(CC(=O)O)CC(=O)O)O	0.32	0.0
Compound_7742	CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](CC(CS(=O)(=O)[O-])O)(CCO)C	0.29	0.0
Compound_7743	OCCN(CC(=O)O)CCO	0.31	0.0
Compound_7744	OCCN(CC(=O)O)CCO	0.31	0.0
Compound_7745	OCCN(CS(=O)(=O)O)CCO	0.39	0.0
Compound_7746	OCCN(CCO)CCO	0.46	0.0
Compound_7747	OCCN(CCO)CCO	0.46	0.0
Compound_7748	OCCN(CCO)CCO	0.46	0.0
Compound_7749	OCCN(CCO)CCO	0.46	0.0
Compound_7750	OCCN(CCO)CCO	0.46	0.0
Compound_7751	OCCN(CCO)CCO	0.46	0.0
Compound_7752	OCCN(CCO)CCO	0.46	0.0
Compound_7753	OCCN(CCO)CCO	0.46	0.0
Compound_7754	OCCN(CCO)CCO	0.46	0.0
Compound_7755	CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O	0.17	0.0
Compound_7756	CCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O	0.1	0.0
Compound_7757	CCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-]	0.17	0.0
Compound_7758	OCC[N+](CCO)(CCO)C	0.53	1.0
Compound_7759	OCC[N+](CCO)(CCO)C	0.53	1.0
Compound_7760	O1CC1CN(Cc1cccc(c1)CN(CC1OC1)CC1OC1)CC1OC1	0.27	0.0
Compound_7761	O(CCN1CCOCC1)CCN1CCOCC1	0.06	0.0
Compound_7762	C[Si]12OCCN(CCO1)CCO2	0.36	0.0
Compound_7763	C1CN2CCO[Si](O1)(OCC2)c1ccccc1	0.2	0.0
Compound_7764	O1CCN2CCOCCOCCN(CC1)CCOCCOCC2	0.23	0.0
Compound_7765	CC(=C)C(=O)OCCN1COCC1	0.39	0.0
Compound_7766	CC(=C)C(=O)OCCN1CCOCC1	0.24	0.0
Compound_7767	CC(=O)OCCN(CCOC(=O)C)CCOC(=O)C	0.33	0.0
Compound_7768	CC(=O)OCCN1CCOCC1	0.23	0.0
Compound_7769	OCCN(C(CO)(C)C)CCO	0.47	0.0
Compound_7770	OCCN1CCOC1C(C)C	0.32	0.0
Compound_7771	CC(C1OCCN1CCOC(=O)CCC(=O)OCCN1CCOC1C(C)C)C	0.21	0.0
Compound_7772	CC(C1OCCN1CCOC(=O)CCCC(=O)OCCN1CCOC1C(C)C)C	0.21	0.0
Compound_7773	CC(C1OCCN1CCOC(=O)CCCCC(=O)OCCN1CCOC1C(C)C)C	0.21	0.0
Compound_7774	CC(C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C)C	0.08	0.0
Compound_7775	OCCN(C(=O)CCCCCCCCCCCCCCC(C)C)CCO	0.38	0.0
Compound_7776	OCCN(C(C)C)CCO	0.55	1.0
Compound_7777	OC(=O)CN(CC(N(CC(=O)O)CC(=O)O)C)CC(=O)O	0.17	0.0
Compound_7778	CC(CN1CCOCC1)OCCN1CCOCC1	0.12	0.0
Compound_7779	OCOCOCOC(CN1COC(C1)C)C	0.44	0.0
Compound_7780	OCC(N(C(CO)C)C)C	0.45	0.0
Compound_7781	CC(CN(CC(O)C)CC(O)C)O	0.19	0.0
Compound_7782	CC(CN(CC(O)C)CC(O)C)O	0.19	0.0
Compound_7783	CC(CN(CC(O)C)CC(O)C)O	0.19	0.0
Compound_7784	CC(CN(CC(O)C)C)O	0.22	0.0
Compound_7785	CC(CN(C(=O)CCCCC(=O)N(CC(O)C)CC(O)C)CC(O)C)O	0.26	0.0
Compound_7786	CC(CN(C1CCCCC1)CC(O)C)O	0.31	0.0
Compound_7787	CN(CCCN(CC(O)C)CC(O)C)C	0.39	0.0
Compound_7788	CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O	0.22	0.0
Compound_7789	OCCN(CC(O)C)CCO	0.47	0.0
Compound_7790	CC(CN1CCOCC1)O	0.29	0.0
Compound_7791	OCCN(Cn1nnc2c1cccc2C)CCO	0.2	0.0
Compound_7792	CCCCCCCC[N+](CCO)(CCO)C	0.52	1.0
Compound_7793	OCCN(Cn1nnc2c1ccc(c2)C)CCO	0.2	0.0
Compound_7794	CC1OC(C)CN(C1)CCOCCN1CC(C)OC(C1)C	0.14	0.0
Compound_7795	CCCC(CN(CC(CCC)O)CCN(CC(CCC)O)CC(CCC)O)O	0.29	0.0
Compound_7796	CCCCC(C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(CCCC)CC)CC	0.11	0.0
Compound_7797	CCCCC(COCC(C[N+](CC(CS(=O)(=O)[O-])O)(C)C)O)CC	0.4	0.0
Compound_7798	CCCCCC=CCC=CCCCCCCCC(=O)N(CCO)CCO	0.41	0.0
Compound_7799	CCCCCC(=O)N(CCO)CCO	0.42	0.0
Compound_7800	OCCN(C(=O)C1CC(CCCCCCCC(=O)N(CCO)CCO)C=CC1CCCCCC)CCO	0.19	0.0
Compound_7801	CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO	0.41	0.0
Compound_7802	CCCCCCCCC=CCCCCCCCCN(CCO)CCO	0.61	1.0
Compound_7803	CCCCCCCCC=CCCCCCCCCN(CCO)CCO	0.61	1.0
Compound_7804	CCCCCCCCC=CCCCCCCCCN(CCOCCO)CCOCCO	0.51	1.0
Compound_7805	CCCCCCCCC(=O)N(CCO)CCO	0.42	0.0
Compound_7806	CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCO)CCO	0.44	0.0
Compound_7807	CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC=CCCCCCCCC)CCO	0.34	0.0
Compound_7808	CCCCCCCCCC(=O)N(CCO)CCO	0.42	0.0
Compound_7809	CCCCCCCCCCCC(=O)N(CC(O)C)CC(O)C	0.4	0.0
Compound_7810	CCCCCCCCCCCC(=O)N(CCO)CCO	0.42	0.0
Compound_7811	CCCCCCCCCCCC(=O)N(CCO)CCO	0.42	0.0
Compound_7812	CCCCCCCCCCCC(=O)OCCN(CCO)CCO	0.45	0.0
Compound_7813	CCCCCCCCCCCC[N+](CC(=O)[O-])(CCO)CCO	0.38	0.0
Compound_7814	CCCCCCCCCCCCCC(=O)N(CC(O)C)CC(O)C	0.4	0.0
Compound_7815	CCCCCCCCCCCCCC(=O)N(CCO)CCO	0.42	0.0
Compound_7816	CCCCCCCCCCCCCCC(CN(CCO)CCO)O	0.45	0.0
Compound_7817	CCCCCCCCCCCCCCCC(=O)N(CCO)CCO	0.42	0.0
Compound_7818	CCCCCCCCCCCCCCCC(=O)OC1CC(N(C1)C(=O)CCCCCCCCCCCCCCC)C(=O)O	0.15	0.0
Compound_7819	CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO	0.42	0.0
Compound_7820	CCCCCCCCCCCCCCCCCC(=O)N(CCOCCO)CCOCCO	0.4	0.0
Compound_7821	CCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)C	0.39	0.0
Compound_7822	CCCCCCCCCCCCCCCCCC(=O)OCCN(C(=O)CCCCCCCCCCCCCCCCC)CCO	0.33	0.0
Compound_7823	CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCO	0.45	0.0
Compound_7824	CCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCO	0.35	0.0
Compound_7825	CCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC	0.36	0.0
Compound_7826	CCCCCCCCCCCCCCCCCCN(CCO)CCO	0.64	1.0
Compound_7827	CCCCCCCCCCCCCCCCCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCO	0.37	0.0
Compound_7828	CCCCCCCCCCCCCCCCCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC	0.36	0.0
Compound_7829	CCCCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO	0.27	0.0
Compound_7830	CCCCCCCCCCCCCCCCOCC(CN(C(=O)CCCCCCCCC)CCO)O	0.33	0.0
Compound_7831	CCCCCCCCCCCCCCCCOCC(CN(C(=O)CCCCCCCCCCCCCCC)CCO)O	0.33	0.0
Compound_7832	CCCCCCCCCCCCN(CCO)CCO	0.64	1.0
Compound_7833	CCCCCCCCN(CCO)CCO	0.64	1.0
Compound_7834	CCCCN(CCO)CCO	0.69	1.0
Compound_7835	CCCCN(CCOCCO)CCOCCO	0.56	1.0
Compound_7836	CCCCOCC(C[N+](CC(CS(=O)(=O)[O-])O)(C)C)O	0.4	0.0
Compound_7837	CCN(CC(=O)O)CC(=O)O	0.24	0.0
Compound_7838	CCOC(=O)C(N1C(=O)OC(=O)C1C)CCc1ccccc1	0.22	0.0
Compound_7839	OCCN(CP(=O)(OCC)OCC)CCO	0.41	0.0
Compound_7840	OCC[N+](CCO)(CCO)CC	0.48	0.0
Compound_7841	CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC	0.51	1.0
Compound_7842	CCCCCCCCCCCCOCC(CN(CCCN(CCCN(CCO)CCO)CCO)CCO)O	0.38	0.0
Compound_7843	OCCN(CCCN(C)C)CCO	0.49	0.0
Compound_7844	OCCN(CCOCCN(C)C)C	0.44	0.0
Compound_7845	OCCN(CCO)C	0.72	1.0
Compound_7846	CO[Si](CCCOCC1CN2CCC[Si](O1)(OC)OC(C2)COCCC[Si](OC)(OC)OC)(OC)OC	0.31	0.0
Compound_7847	COCCOCCN(CCOCCOC)CCOCCOC	0.44	0.0
Compound_7848	COCOCCN(CCOCOC)CCOCOC	0.41	0.0
Compound_7849	CCCCCCCCC=CCCCCCCCC(=O)OC(CN(CC(O)C)CC[N+](CC(OC(=O)CCCCCCCC=CCCCCCCCC)C)(CC(O)C)C)C	0.21	0.0
Compound_7850	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCN(C(=O)CCCCCCCCCCCCCCCCC)CCO)(CCO)C	0.22	0.0
Compound_7851	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCO)(CCO)C	0.3	0.0
Compound_7852	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCO)C	0.27	0.0
Compound_7853	CCCCCCCCCCCCCCCCCC(=O)OCCN(CC[N+](CCN(C(=O)CCCCCCCCCCCCCCCCC)CCO)(CCO)C)CCO	0.22	0.0
Compound_7854	CCCCCCCCCCCCCCCCCC(=O)OCCN(CCN(CC[N+](CCN(C(=O)CCCCCCCCCCCCCCCCC)CCO)(CCO)C)CCO)CCO	0.22	0.0
Compound_7855	CCCCCCCCCCCCCCCCCC[N+](CC(O)C)(CC(O)C)C	0.43	0.0
Compound_7856	CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.52	1.0
Compound_7857	CCCCCCCCCCCCCCCCCCOCN(c1nc(nc(n1)N(COCC[N+](CCO)(CCO)C)COC)N(COC(=O)C)COCCCCCCCCCCCCCCCCCC)COC	0.16	0.0
Compound_7858	CCCCCCCCCCCCOCC(C[N+](CCO)(CCO)C)O	0.33	0.0
Compound_7859	CCCCCCCCCCCCOCC(C[N+](CCC[N+](CCC[N+](CCO)(CCO)C)(CCO)C)(CCO)C)O	0.27	0.0
Compound_7860	CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)C	0.37	0.0
Compound_7861	OCCN(CC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O)C	0.04	0.0
Compound_7862	OC(=O)CN(CP(=O)(O)O)CC(=O)O	0.16	0.0
Compound_7863	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.06	0.0
Compound_7864	OC(=O)CN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC(=O)O	0.13	0.0
Compound_7865	OC(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O	0.17	0.0
Compound_7866	OCCN(C(=O)CCCCC(=O)N(CCO)CCO)CCO	0.2	0.0
Compound_7867	C=CCCCCCCCCC(=O)N(CCO)CCO	0.3	0.0
Compound_7868	OCCN(C(CO)(CO)CO)CCO	0.34	0.0
Compound_7869	OCCN(C=O)CCO	0.31	0.0
Compound_7870	OCCN(C1CCCCC1)CCO	0.37	0.0
Compound_7871	OCCN(CCO)CCCNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.22	0.0
Compound_7872	OCCN(CCO)CCN(CCO)CCO	0.33	0.0
Compound_7873	OCCN(CCS(=O)(=O)O)CCO	0.28	0.0
Compound_7874	OCCN(CCOP(=O)(O)O)CCOP(=O)(O)O	0.29	0.0
Compound_7875	OCCN1COCC1	0.32	0.0
Compound_7876	OCCN1CCOCC1	0.27	0.0
Compound_7877	OCCNCCN(CCO)CCO	0.28	0.0
Compound_7878	OCCOCCN(CCO)CCO	0.42	0.0
Compound_7879	OCCOCCN(CCOCCO)CCOCCO	0.42	0.0
Compound_7880	OP(=O)(OCCN(CCOP(=O)(O)O)CCOP(=O)(O)O)O	0.25	0.0
Compound_7881	CC(N=NC(=N)N)CCl	0.34	0.0
Compound_7882	CC1(C)CNC(=NC1)N=NC(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F	0.28	0.0
Compound_7883	NC(=O)N=NC(=O)N	0.33	0.0
Compound_7884	OCC(C(C(C(N=NC(=N)N)C=NNC(=N)N)O)O)O	0.24	0.0
Compound_7885	CC[N+]1(CC)CCCC1	0.39	0.0
Compound_7886	C=CN1CCCC1=O	0.14	0.0
Compound_7887	C1CN=C2N(C1)CCC2	0.13	0.0
Compound_7888	CC1CCN(C1=O)C=C	0.37	0.0
Compound_7889	CCN1CCCC1=O	0.43	0.0
Compound_7890	CN1CCCC1c1cccnc1	0.16	0.0
Compound_7891	CN1CCCC1	0.35	0.0
Compound_7892	O=C1CCCN1C	0.7	1.0
Compound_7893	OC(=O)C1CCCN1C(=N)N	0.28	0.0
Compound_7894	NC(=O)CN1CCCC1=O	0.34	0.0
Compound_7895	OCCN1CCCC1=O	0.21	0.0
Compound_7896	OCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cc(cc2)Cl)C	0.09	0.0
Compound_7897	COCC[N+]1=C(C=NN(c2ccc(cc2)Cl)C)C(c2c1cccc2)(C)C	0.14	0.0
Compound_7898	O=C(Nc1ccc(cc1)Cl)CC(=O)C	0.83	1.0
Compound_7899	CC(=O)Nc1ccc(cc1)Cl	0.95	1.0
Compound_7900	CC(Nc1ccc(cc1)Cl)C	0.83	1.0
Compound_7901	N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	0.16	0.0
Compound_7902	N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	0.16	0.0
Compound_7903	N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	0.16	0.0
Compound_7904	N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	0.16	0.0
Compound_7905	N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	0.16	0.0
Compound_7906	O=C1CC(=NN1c1ccc(cc1)Cl)C	0.38	0.0
Compound_7907	CCC(=O)Nc1ccc(c(c1)Cl)Cl	0.88	1.0
Compound_7908	CCCCC(CNC(=O)c1ccc(cc1)N)CC	0.18	0.0
Compound_7909	CCN1C(=O)c2c(C1=O)ccc(c2)N	0.3	0.0
Compound_7910	CCO[Si](OCC)(OCC)CCCNC(=O)c1ccc(cc1)N(=O)=O	0.29	0.0
Compound_7911	CN1C(=O)c2c(C1=O)cc(cc2)N(=O)=O	0.38	0.0
Compound_7912	Nc1ccc2c(c1)C(=O)N(C2=O)C	0.3	0.0
Compound_7913	O=C(c1ccc(cc1)N)NC(C(=O)O)CCC(=O)O	0.06	0.0
Compound_7914	OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N	0.01	0.0
Compound_7915	[BH3]=[O]1CCCC1	0.83	1.0
Compound_7916	CC(=O)OCC[N+](C)(C)C	0.2	0.0
Compound_7917	CC(=O)OCC[N+](C)(C)C	0.2	0.0
Compound_7918	CC(C[N+](C)(C)C)OC(=O)C	0.08	0.0
Compound_7919	CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC	0.57	1.0
Compound_7920	CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC	0.57	1.0
Compound_7921	CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC	0.57	1.0
Compound_7922	CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC	0.57	1.0
Compound_7923	CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC	0.57	1.0
Compound_7924	O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C	0.21	0.0
Compound_7925	C[N+](CC1OC1)(C)C	0.19	0.0
Compound_7926	CCCCP(CC(OC)C)(CCCC)CCCC	0.77	1.0
Compound_7927	COCP(c1ccccc1)(c1ccccc1)c1ccccc1	0.84	1.0
Compound_7928	OC(=O)C(CCCCN=C(OCc1ccccc1)O)N	0.04	0.0
Compound_7929	C1CNCCO1	0.36	0.0
Compound_7930	C1CNCCO1	0.36	0.0
Compound_7931	C1CNCCO1	0.36	0.0
Compound_7932	C1CNCCO1	0.36	0.0
Compound_7933	C1CNCCO1	0.36	0.0
Compound_7934	C1CNCCO1	0.36	0.0
Compound_7935	C1CNCCO1	0.36	0.0
Compound_7936	C1CNCCO1	0.36	0.0
Compound_7937	O=C1OC(=O)c2c3c1ccc(c3ccc2)S(=O)(=O)O	0.44	0.0
Compound_7938	CCOC(=O)CC(=NC(c1ccccc1)C(=O)O)C	0.42	0.0
Compound_7939	COC(=O)CC(=NC(c1ccc(cc1)O)C(=O)O)C	0.29	0.0
Compound_7940	OC(=O)CSC(C(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.8	1.0
Compound_7941	OS(=O)(=O)CCOCCS(=O)(=O)O	0.54	1.0
Compound_7942	ClCCOCOCCCl	0.85	1.0
Compound_7943	ClCCOCOCCCl	0.85	1.0
Compound_7944	O=C(CC(S(=O)(=O)O)C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.71	1.0
Compound_7945	CC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC(C)C)C)CCCC(C)C	0.6	1.0
Compound_7946	CC(CCOC(=O)CC(S(=O)(=O)O)C(=O)OCCC(C)C)C	0.63	1.0
Compound_7947	CC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(C)C)C	0.67	1.0
Compound_7948	CCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCC	0.61	1.0
Compound_7949	CCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCC	0.61	1.0
Compound_7950	COC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)OC	0.59	1.0
Compound_7951	COC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)OC	0.59	1.0
Compound_7952	FC(C(C(C(F)(F)F)(F)F)(F)F)(OCCCCS(=O)(=O)O)F	0.79	1.0
Compound_7953	C#CCCC(CCOC(=O)O)I	0.59	1.0
Compound_7954	BrCC(=O)OCC=CCOC(=O)CBr	0.7	1.0
Compound_7955	BrCC1CO1	0.42	0.0
Compound_7956	O1CCN(CC1)CN1CCOCC1	0.19	0.0
Compound_7957	C1=CCC(=COCc2ccccc2)CC1	0.87	1.0
Compound_7958	O(Cc1ccccc1)Cc1ccccc1	0.74	1.0
Compound_7959	O=C(CC(=N)C)OCCSCCOC(=O)CC(=N)C	0.29	0.0
Compound_7960	CC=C(COC(=O)C)C	0.81	1.0
Compound_7961	CC=CCC=CCCC(=O)C1OC1C(=O)N	0.21	0.0
Compound_7962	O1CC1	0.93	1.0
Compound_7963	O1CC1	0.93	1.0
Compound_7964	C=C1CC(=O)O1	0.74	1.0
Compound_7965	C=CC1CO1	0.85	1.0
Compound_7966	C=CC1OCC2(CO1)COC(OC2)C=C	0.73	1.0
Compound_7967	C=CCOC(=O)CCCCC(=O)OCC=C	0.78	1.0
Compound_7968	C=CCOCC=C	0.71	1.0
Compound_7969	C=COC(=O)c1ccccc1	0.87	1.0
Compound_7970	C=COCCCCCCOC=C	0.74	1.0
Compound_7971	C=COCCCCOC=C	0.76	1.0
Compound_7972	CCCCOC(=N)O	0.38	0.0
Compound_7973	C1=CCC(CC1)C1OCC2(CO1)COC(OC2)C1CCC=CC1	0.7	1.0
Compound_7974	N1CCC(OC1)c1ccccc1	0.33	0.0
Compound_7975	C1CC2C(C1)O2	0.83	1.0
Compound_7976	C1CCCO1	0.92	1.0
Compound_7977	C1CCCOC1	0.87	1.0
Compound_7978	C1CCCOCO1	0.83	1.0
Compound_7979	O1CCN(CC1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1	0.12	0.0
Compound_7980	ClCC1CO1	0.35	0.0
Compound_7981	ClCC1CO1	0.35	0.0
Compound_7982	ClCC1CO1	0.35	0.0
Compound_7983	ClCC1CO1	0.35	0.0
Compound_7984	ClCC1CO1	0.35	0.0
Compound_7985	C1COC=CC1	0.82	1.0
Compound_7986	O1CC1c1ccccc1	0.91	1.0
Compound_7987	O1CC1c1ccccc1	0.91	1.0
Compound_7988	O1CC1c1ccccc1	0.91	1.0
Compound_7989	O1CC=CC1	0.9	1.0
Compound_7990	O1COCOC1	0.72	1.0
Compound_7991	CC(=C)CCOC(=O)C(C)(C)C	0.77	1.0
Compound_7992	CC(=C)CCOC(=O)C	0.79	1.0
Compound_7993	CC(=C)n1c(=O)n(CC2CO2)c(=O)n(c1=O)CC1CO1	0.13	0.0
Compound_7994	CC(=C)OC(=O)C	0.81	1.0
Compound_7995	CC1=CCCC(O1)C(=O)C	0.69	1.0
Compound_7996	O=C(CC(=O)C)OCc1ccccc1	0.67	1.0
Compound_7997	CC(=O)OCC(=O)C	0.66	1.0
Compound_7998	CC(=O)OC(C)(C)C	0.81	1.0
Compound_7999	CC(=O)OC(C(=O)Br)(C)C	0.54	1.0
Compound_8000	C=CC(=C)CCCC(OC(=O)C)(C)C	0.76	1.0
Compound_8001	CC(=O)OC(=O)C	0.47	0.0
Compound_8002	C=CC(OC(=O)C)OC(=O)C	0.34	0.0
Compound_8003	CC(=O)OC[Si](O[Si](COC(=O)C)(C)C)(C)C	0.72	1.0
Compound_8004	CC(=O)OC=C	0.85	1.0
Compound_8005	CC(=O)OCC=C	0.85	1.0
Compound_8006	CC(=O)OCc1ccc(cc1)C	0.85	1.0
Compound_8007	CC(=O)OCc1ccc(cc1C)C	0.78	1.0
Compound_8008	CC(=O)OCc1ccc2c(c1)OCO2	0.61	1.0
Compound_8009	CC(=O)OCc1ccccc1	0.88	1.0
Compound_8010	CC(=O)OCC1=CCC(CC1)C(=C)C	0.8	1.0
Compound_8011	CC(=O)OCCBr	0.8	1.0
Compound_8012	CC(=O)OCCC[Si](C)(C)C	0.73	1.0
Compound_8013	CC(=O)OCCCc1ccccc1	0.9	1.0
Compound_8014	ClCCCCOC(=O)C	0.86	1.0
Compound_8015	O=C1OC(=O)C(C1)SC(=O)C	0.42	0.0
Compound_8016	O=C(C(C)(C)C)OC(=O)C(C)(C)C	0.57	1.0
Compound_8017	C=COC(=O)C(C)(C)C	0.75	1.0
Compound_8018	O=C(C(C)(C)C)OCc1ccccc1	0.74	1.0
Compound_8019	C=COC(=O)CCCCC(C)(C)C	0.74	1.0
Compound_8020	O=C(OC(C)(C)C)OC(=O)OC(C)(C)C	0.62	1.0
Compound_8021	C=CCOOC(=O)OC(C)(C)C	0.6	1.0
Compound_8022	O=C(OOC(C)(C)C)OCCCCCCOC(=O)OOC(C)(C)C	0.6	1.0
Compound_8023	OCC(COC(=O)C(CO)(C)C)(C)C	0.6	1.0
Compound_8024	C#CC(OCO[Si](OCOC(C#C)(C)C)(OCOC(C#C)(C)C)O)(C)C	0.66	1.0
Compound_8025	O=COCCC(S)(C)C	0.61	1.0
Compound_8026	CC(=O)OCC(C(=C)C)CC=C(C)C	0.78	1.0
Compound_8027	CC(=O)OCC(C(=C)C)CC=C(C)C	0.78	1.0
Compound_8028	CC(=CCOC(=O)C)CCC=C(C)C	0.91	1.0
Compound_8029	CC(=CCOC(=O)C)CCC=C(C)C	0.91	1.0
Compound_8030	O=COCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8031	O=COCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8032	O=COCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8033	CC(=CCCC(=CCOC(=O)C)C)CCC=C(C)C	0.91	1.0
Compound_8034	CC(=CCCC(=CCOC(=O)C)C)CCC=C(C)C	0.91	1.0
Compound_8035	O=CCOCC=C(CCC=C(C)C)C	0.85	1.0
Compound_8036	O=CCOCC=C(CCC=C(C)C)C	0.85	1.0
Compound_8037	CC(=CCCC1=CCCOC1)C	0.68	1.0
Compound_8038	CC(=CCCC1=CCOCC1)C	0.68	1.0
Compound_8039	CC(=O)OCC=C(C)C	0.77	1.0
Compound_8040	CC(=COC(=O)c1ccccc1O)C	0.46	0.0
Compound_8041	CC(C(=O)OC(=O)C(C)C)C	0.48	0.0
Compound_8042	CC(c1ccccc1)OC(=O)C(C)C	0.73	1.0
Compound_8043	CC(=CCOC(=O)C(C)C)CCC=C(C)C	0.91	1.0
Compound_8044	CC(=CCOC(=O)C(C)C)CCC=C(C)C	0.91	1.0
Compound_8045	CC(=C)COC(=O)C(C)C	0.76	1.0
Compound_8046	CC(=CCOC(=O)C(C)C)C	0.77	1.0
Compound_8047	CC(C(=O)OCc1ccccc1)C	0.79	1.0
Compound_8048	O=C(C(C)C)OCCCc1ccccc1	0.87	1.0
Compound_8049	CC(C1OCC=CCO1)C	0.72	1.0
Compound_8050	CC(CC(=O)OC(=O)CC(C)C)C	0.62	1.0
Compound_8051	CC(CC(=O)OCC=C(CCC=C(C)C)C)C	0.91	1.0
Compound_8052	CC(CC(=O)OCc1ccccc1)C	0.77	1.0
Compound_8053	CC(CC(=O)OCCC(=C)C)C	0.88	1.0
Compound_8054	CC(CC(OC(=O)C)C)C	0.71	1.0
Compound_8055	CC(CC(OC(=O)C)CC(C)C)C	0.71	1.0
Compound_8056	CC(CCC1(C)OCC=CCO1)C	0.73	1.0
Compound_8057	CC(CCCC(OC(=O)C)C)C	0.75	1.0
Compound_8058	CC(CCCCCOC(=O)CCC(=O)OCCCCCC(C)C)C	0.58	1.0
Compound_8059	CC(CCCCCOC(=O)C)C	0.78	1.0
Compound_8060	CC(CCOC(=O)C(C)C)C	0.76	1.0
Compound_8061	CC(CCOC(=O)CC(C)C)C	0.82	1.0
Compound_8062	CC(CCOC(=O)C)C	0.76	1.0
Compound_8063	CC(OCCC(C)C)OCCC(C)C	0.81	1.0
Compound_8064	O=COCCC(C)C	0.84	1.0
Compound_8065	CC(CCOCc1ccccc1)C	0.72	1.0
Compound_8066	CC(CCOCCC(C)C)C	0.82	1.0
Compound_8067	CC(COC(=O)C(C)C)C	0.78	1.0
Compound_8068	CC(COC(=O)CC(C)C)C	0.8	1.0
Compound_8069	CC(COC(=O)CCC(=O)OCC(C)C)C	0.86	1.0
Compound_8070	CC(COC(=O)CCCC(=O)OCC(C)C)C	0.86	1.0
Compound_8071	CC(COC(=O)CCCCC(=O)OCC(C)C)C	0.86	1.0
Compound_8072	CC(COC(=O)C)C	0.79	1.0
Compound_8073	CC(COC(=O)Cl)C	0.79	1.0
Compound_8074	C=COCC(C)C	0.72	1.0
Compound_8075	O=COCC(C)C	0.82	1.0
Compound_8076	OCCCOCC(C)C	0.66	1.0
Compound_8077	CC(OC(=O)OOC(=O)OC(C)C)C	0.38	0.0
Compound_8078	CC(OC(=O)OOC(C)(C)C)C	0.48	0.0
Compound_8079	CC(OC(=O)C)C	0.69	1.0
Compound_8080	CC(OC(C)C)C	0.74	1.0
Compound_8081	CC(OC(=O)Cl)C	0.75	1.0
Compound_8082	O=COC(C)C	0.75	1.0
Compound_8083	CC(=O)OC(CC(OC(=O)C)(C)C)C	0.69	1.0
Compound_8084	CC(=CCCC(OC(=O)C)C)CCC=C(C)C	0.84	1.0
Compound_8085	CC(=CCCC(OC(=O)C)C)CCC=C(C)C	0.84	1.0
Compound_8086	CC(OC(=O)C)CCc1ccccc1	0.81	1.0
Compound_8087	C=CC(CCCC(OC(=O)C)(C)C)C	0.74	1.0
Compound_8088	O=COC(CCCC(C=C)C)(C)C	0.74	1.0
Compound_8089	ClCC(OC(CCl)C)C	0.71	1.0
Compound_8090	CC(=O)OCCC(OC(=O)C)C	0.6	1.0
Compound_8091	O=COCCC(CC(C)(C)C)C	0.75	1.0
Compound_8092	O=COCCC(CCC=C(C)C)C	0.91	1.0
Compound_8093	CC(OC(=O)Cl)Cl	0.9	1.0
Compound_8094	O=C(CC(=N)C)OCCCCOC(=O)CC(=N)C	0.3	0.0
Compound_8095	O=C1OC(=O)c2c1cccc2	0.41	0.0
Compound_8096	CC(=O)OC(C=CC1C(=CCCC1(C)C)C)C	0.5	0.0
Compound_8097	CC(c1ccccc1)OC(=O)C	0.85	1.0
Compound_8098	ClCCOC(OCCCl)C	0.85	1.0
Compound_8099	CC[O](=[B](F)(F)F)CC	0.76	1.0
Compound_8100	CCC=CCCC=CCOC(=O)C	0.84	1.0
Compound_8101	CCC=CCCC1CCC(=O)O1	0.72	1.0
Compound_8102	CCC=CCCCCCOC(=O)C	0.8	1.0
Compound_8103	CCC=CCCOC(=O)C(C)C	0.81	1.0
Compound_8104	CCC=CCCOC(=O)C(C)C	0.81	1.0
Compound_8105	CCC=CCCOC(=O)C(CC)C	0.83	1.0
Compound_8106	CCC=CCCOC(=O)C(CC)C	0.83	1.0
Compound_8107	CCC=CCCOC(=O)CC=CCC	0.81	1.0
Compound_8108	CCC=CCCOC(=O)C1CC1	0.75	1.0
Compound_8109	CCC=CCCOC(=O)CC	0.81	1.0
Compound_8110	CCC=CCCOC(=O)CC(C)C	0.85	1.0
Compound_8111	CCC=CCCOC(=O)CC(C)C	0.85	1.0
Compound_8112	CCC=CCCOC(=O)OC	0.73	1.0
Compound_8113	CCC=CCCOC(=O)C	0.8	1.0
Compound_8114	CCC=CCCOC(=O)C	0.8	1.0
Compound_8115	CCC=CCCOC(=O)C	0.8	1.0
Compound_8116	CCC=CCCOC(OC)CC	0.7	1.0
Compound_8117	CCC=CCCOC(OC)CC	0.7	1.0
Compound_8118	CCC=CCCOC=O	0.81	1.0
Compound_8119	CCC=CCCOCC(=C)C	0.82	1.0
Compound_8120	O=CCOCCC=CCC	0.81	1.0
Compound_8121	CCC=CCOC(=O)C	0.85	1.0
Compound_8122	O=COCC1=CCC2CC1C2(C)C	0.6	1.0
Compound_8123	CC1(OCC(CO1)(C)C)c1ccccc1	0.59	1.0
Compound_8124	CC1(C)NCOC1	0.73	1.0
Compound_8125	O=C1CC=C(O1)C	0.66	1.0
Compound_8126	CC1=CCC2C(C1)C(=O)OC2=O	0.38	0.0
Compound_8127	CC1=CCOC(C1)c1ccccc1	0.76	1.0
Compound_8128	CC1=NCCO1	0.37	0.0
Compound_8129	CC(=O)OCC1CCC(=CC1C)C	0.72	1.0
Compound_8130	O=C1OC(=O)C2C1C(C)C=CC2	0.39	0.0
Compound_8131	CC1CC(=O)O1	0.76	1.0
Compound_8132	CC(=O)OCC1CC(C)C=C(C1)C	0.7	1.0
Compound_8133	CC1OC(C)OC(C1)OC(=O)C	0.6	1.0
Compound_8134	CC1CCC(=O)O1	0.72	1.0
Compound_8135	CC1CCC(=O)OC1	0.73	1.0
Compound_8136	CC1CCCO1	0.9	1.0
Compound_8137	CC1CCOC(=O)C1	0.73	1.0
Compound_8138	CC1CCOC(C1)O	0.6	1.0
Compound_8139	CC1COCC1	0.9	1.0
Compound_8140	O=C1OCCC1C	0.65	1.0
Compound_8141	CC1OCN(C1)CN1COC(C1)C	0.46	0.0
Compound_8142	CC1CO1	0.95	1.0
Compound_8143	CC1CO1	0.95	1.0
Compound_8144	CC1OC(C(=N1)C)C	0.56	1.0
Compound_8145	CC1OC(C)OC(O1)C	0.65	1.0
Compound_8146	CC1OC(C)OC(OC(O1)C)C	0.62	1.0
Compound_8147	CC1OC1C	0.78	1.0
Compound_8148	CC1OCCC21SC1C(S2)(C)OCC1	0.76	1.0
Compound_8149	SC1CCOC1C	0.58	1.0
Compound_8150	CCC(=O)CC(=O)OC	0.55	1.0
Compound_8151	CCC(=O)Nc1ccccc1C(=O)OC	0.6	1.0
Compound_8152	CCC(=O)OC	0.78	1.0
Compound_8153	CCC(=O)OC(=O)CC	0.64	1.0
Compound_8154	CCC(=O)OC(c1ccccc1)C	0.81	1.0
Compound_8155	CCC(=O)OCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8156	CCC(=O)OCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8157	CCC(=O)OC=C	0.76	1.0
Compound_8158	CCC(=O)OCC(C)C	0.8	1.0
Compound_8159	CCC(=O)OCC=C	0.79	1.0
Compound_8160	CCC(=O)OCc1ccc(cc1)OC	0.76	1.0
Compound_8161	CCC(=O)OCc1ccccc1	0.88	1.0
Compound_8162	CCC(=O)OCCC(C)C	0.77	1.0
Compound_8163	CCC(=O)OCCCc1ccccc1	0.89	1.0
Compound_8164	CCC(C(=O)OC)Br	0.84	1.0
Compound_8165	COC(=O)C(CC)(C)C	0.81	1.0
Compound_8166	CCC(CCCC(=O)OCC=C)(C)C	0.75	1.0
Compound_8167	CCC(C(=O)OC)C	0.78	1.0
Compound_8168	CCC(C(=O)OCC(C)C)C	0.78	1.0
Compound_8169	CCC(C(=O)OCc1ccccc1)C	0.79	1.0
Compound_8170	CCC(C(=O)OCCC(C)C)C	0.75	1.0
Compound_8171	CCC(COC(=O)C(CC)C)C	0.79	1.0
Compound_8172	CCC(COC(=O)CC(C)C)C	0.81	1.0
Compound_8173	CCC(COC(=O)C)C	0.84	1.0
Compound_8174	CCC(OC(=O)OOC(=O)OC(CC)C)C	0.49	0.0
Compound_8175	CCC(OC(=O)C)C	0.77	1.0
Compound_8176	CCC(C(=O)OCC=C)CC	0.82	1.0
Compound_8177	CCC(C1OCC=CCO1)CC	0.78	1.0
Compound_8178	CCC(COC(=O)CC1=CCCC1)CC	0.83	1.0
Compound_8179	CCC(COC(=O)C)CC	0.87	1.0
Compound_8180	CCC(COCC(CO)(CO)CC)(CO)CO	0.7	1.0
Compound_8181	C=CCOCC(CO)(CO)CC	0.69	1.0
Compound_8182	C=CCOCC(COCC=C)(CO)CC	0.69	1.0
Compound_8183	CCC(c1ccccc1)OC(=O)C	0.81	1.0
Compound_8184	CCC([SiH2]C(C)(C)C)(OC)OC	0.71	1.0
Compound_8185	CCCC1CCOC(S1)C	0.7	1.0
Compound_8186	CCCC1CCOC(S1)C	0.7	1.0
Compound_8187	CCCC1CCOC(S1)C	0.7	1.0
Compound_8188	CCCC=CCCOC(=O)C	0.84	1.0
Compound_8189	CCCC=CCCOC(=O)C	0.84	1.0
Compound_8190	CCCC=CCCC(=O)OCC	0.85	1.0
Compound_8191	CCCC=CCOC(=O)C	0.87	1.0
Compound_8192	CCCC=CCOC(=O)C	0.87	1.0
Compound_8193	CCCC=CCOC=O	0.91	1.0
Compound_8194	CCC=C(COC(=O)C)C	0.81	1.0
Compound_8195	CCC=CCC(=O)OC	0.72	1.0
Compound_8196	CCC=CCC=CCCOC(=O)C	0.8	1.0
Compound_8197	CCC1(CO)COC(OC1)C(CO)(C)C	0.61	1.0
Compound_8198	CCC1(CO)COC1	0.81	1.0
Compound_8199	CCC1(CO)COCOC1	0.66	1.0
Compound_8200	CCC1(CO[Si](OCC2(CC)COC2)(OCC2(CC)COC2)C)COC1	0.71	1.0
Compound_8201	CCC1(COCC2(CC)COC2)COC1	0.76	1.0
Compound_8202	CCC1(COCc2ccc(cc2)COCC2(CC)COC2)COC1	0.66	1.0
Compound_8203	CCC1=NCCO1	0.34	0.0
Compound_8204	CCC12COCN2COC1	0.52	1.0
Compound_8205	CCC1CCC(=O)O1	0.76	1.0
Compound_8206	CCC1CO1	0.92	1.0
Compound_8207	CCC1CO1	0.92	1.0
Compound_8208	CCC1OCC2(CO1)CCC=CC2	0.65	1.0
Compound_8209	CCCC(=O)OC	0.83	1.0
Compound_8210	CCCC(=O)OC(=O)CCC	0.7	1.0
Compound_8211	CCCC(=O)OC(c1ccccc1)C	0.79	1.0
Compound_8212	CCCC(=O)OCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8213	CCCC(=O)OCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8214	CCCC(=O)OCC	0.89	1.0
Compound_8215	CCCC(=O)OCC(C)C	0.85	1.0
Compound_8216	CCCC(=O)OCC(CC)C	0.83	1.0
Compound_8217	CCC=CCCOC(=O)CCC	0.85	1.0
Compound_8218	CCCC(=O)OCC=C	0.82	1.0
Compound_8219	CCCC(=O)OCc1ccc(cc1)OC	0.9	1.0
Compound_8220	CCCC(=O)OCc1ccccc1	0.9	1.0
Compound_8221	CCCC(=O)OCCC(C)C	0.82	1.0
Compound_8222	CCCC(=O)OCCCc1ccccc1	0.9	1.0
Compound_8223	CCCC(=CCOC(=O)C)C	0.91	1.0
Compound_8224	CCCC(C(=O)OC)C	0.78	1.0
Compound_8225	CCCC(C(=O)OCC)C	0.8	1.0
Compound_8226	CCCC(C=Nc1ccccc1C(=O)OC)C	0.55	1.0
Compound_8227	CCCC(C1OCC(CO1)(C)CCC)C	0.71	1.0
Compound_8228	CCCC(COC(=O)C(CCC)C)C	0.83	1.0
Compound_8229	CCCC(OC(=O)C)C	0.81	1.0
Compound_8230	CCCC(CCOC(=O)C)SC	0.75	1.0
Compound_8231	CCCC(SC(=O)C)CCOC(=O)C	0.52	1.0
Compound_8232	CCCC(CC(=O)OC)O	0.66	1.0
Compound_8233	CCCC(CC(=O)OCC)O	0.53	1.0
Compound_8234	CCCC(CCOC)S	0.8	1.0
Compound_8235	CCCC(CCOC(=O)C)S	0.72	1.0
Compound_8236	CCCC=CCCOC(=O)C(C)C	0.85	1.0
Compound_8237	CCCC1CCC(=O)O1	0.8	1.0
Compound_8238	CCCC1CO1	0.88	1.0
Compound_8239	CCCCC(=O)C(=O)OCC	0.75	1.0
Compound_8240	CCCCC(=O)OC	0.83	1.0
Compound_8241	CCCCC(=O)OC(=O)CCCC	0.74	1.0
Compound_8242	CCCCC(=O)OCC	0.86	1.0
Compound_8243	CCCCC(=O)OCC(CC)C	0.83	1.0
Compound_8244	CCCCC(=O)OCc1ccccc1	0.91	1.0
Compound_8245	CCCCC(=O)OCCC	0.89	1.0
Compound_8246	CCCCC(=O)OCCC(C)C	0.82	1.0
Compound_8247	CCCCC(C(=O)OC)Br	0.86	1.0
Compound_8248	CCCCC(OC(=O)C)C	0.81	1.0
Compound_8249	CCCCC(C(=O)OC(=O)C(CCCC)CC)CC	0.67	1.0
Compound_8250	CCCCC(C(=O)OC=C)CC	0.83	1.0
Compound_8251	CCCCC(C(=O)OCC)CC	0.83	1.0
Compound_8252	CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(C)C)CC	0.59	1.0
Compound_8253	CCCCC(C(=O)OCC(C)C)CC	0.81	1.0
Compound_8254	CCCCC(C(OC)OC)CC	0.8	1.0
Compound_8255	CCCCC(COC(=O)C(CCCC)CC)CC	0.83	1.0
Compound_8256	CCCCC(COC(=O)CCC(=O)OCC(CCCC)CC)CC	0.32	0.0
Compound_8257	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.32	0.0
Compound_8258	CCCCC(COC(=O)CCCCC(=O)OCc1ccccc1)CC	0.55	1.0
Compound_8259	CCCCC(COC(=O)CCCCCC(=O)OCC(CCCC)CC)CC	0.32	0.0
Compound_8260	CCCCC(COC(=O)CCSCCC(=O)OCC(CCCC)CC)CC	0.43	0.0
Compound_8261	CCCCC(COC(=O)CS)CC	0.78	1.0
Compound_8262	CCCCC(COC(=O)CSCC(=O)OCC(CCCC)CC)CC	0.43	0.0
Compound_8263	CCCCC(COC(=O)CSP(=O)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC)CC	0.74	1.0
Compound_8264	CCCCC(COC(=O)OCC(CCCC)CC)CC	0.7	1.0
Compound_8265	CCCCC(COC(=O)OOC(=O)OCC(CCCC)CC)CC	0.49	0.0
Compound_8266	CCCCC(COC(=O)OOC(C)(C)C)CC	0.58	1.0
Compound_8267	CCCCC(COC(=O)OOC(CC)(C)C)CC	0.59	1.0
Compound_8268	CCCCC(COC(=O)C)CC	0.83	1.0
Compound_8269	CCCCC(COC(=O)Cl)CC	0.9	1.0
Compound_8270	CCCCC(COC(=NCCCCCCN=C=O)O)CC	0.32	0.0
Compound_8271	CCCCC(COC(C(C)C)OCC(CCCC)CC)CC	0.82	1.0
Compound_8272	CCCCC(COCC(CCCC)CC)CC	0.82	1.0
Compound_8273	CCCCC(COCCCN)CC	0.44	0.0
Compound_8274	OCC(COCC(CO)(CO)CO)(CO)CO	0.68	1.0
Compound_8275	OCC(COCC(CO)(CO)CO)(CO)CO	0.68	1.0
Compound_8276	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC	0.82	1.0
Compound_8277	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC	0.84	1.0
Compound_8278	CCCCCC=CCCC(=O)OCC	0.84	1.0
Compound_8279	CCCCCC=CCCC(=O)OCC	0.84	1.0
Compound_8280	CCCCCC=CCCC(OCC)OCC	0.75	1.0
Compound_8281	CCCCC1CO1	0.92	1.0
Compound_8282	CCCCCC#CC(=O)OC	0.88	1.0
Compound_8283	CCCCCC#CC(=O)OCC=C	0.87	1.0
Compound_8284	CCCCCC(=O)OC	0.84	1.0
Compound_8285	CCCCCC(=O)OCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8286	CCCCCC(=O)OCC=CCCC	0.84	1.0
Compound_8287	CCCCCC(=O)OCC	0.86	1.0
Compound_8288	CCCCCC(=O)OCC(C)C	0.77	1.0
Compound_8289	CCCCCC(=O)OCC(CCCC)CC	0.78	1.0
Compound_8290	CCCCCC(=O)OCCC=CCC	0.84	1.0
Compound_8291	CCCCCC(=O)OCCC=CCC	0.84	1.0
Compound_8292	CCCCCC(=O)OCC=C	0.82	1.0
Compound_8293	CCCCCC(=O)OCC=C(C)C	0.91	1.0
Compound_8294	CCCCCC(=O)OCCC	0.86	1.0
Compound_8295	CCCCCC(=O)OCCC(C)C	0.77	1.0
Compound_8296	CCCCCC(=O)OCCCC	0.86	1.0
Compound_8297	CCCCCC(OC(=O)C)C	0.8	1.0
Compound_8298	CCCCCC(OC)OC	0.74	1.0
Compound_8299	CCCCCC(OCC)OCC	0.76	1.0
Compound_8300	CCCCCC=CCC(=O)OC	0.82	1.0
Compound_8301	CCCCCCC#CC(=O)OC	0.89	1.0
Compound_8302	CCCCCCC#CC(OC)OC	0.81	1.0
Compound_8303	CCCCCCC(=O)OC	0.85	1.0
Compound_8304	CCCCCCC(=O)OCC	0.86	1.0
Compound_8305	CCCCCCC(=O)OCC=C	0.82	1.0
Compound_8306	CCCCCCC(=O)OCCC(C)C	0.77	1.0
Compound_8307	CCCCCCC(OC(=O)C)OC(=O)C	0.56	1.0
Compound_8308	CCCCCCC(OC)OC	0.77	1.0
Compound_8309	CCCCCCC(OCC)OCC	0.76	1.0
Compound_8310	CCCCCCCOC(=O)C	0.86	1.0
Compound_8311	CCCCCCCOC(=O)Cl	0.88	1.0
Compound_8312	CCCCCCOC	0.83	1.0
Compound_8313	CCCCCCOC(=O)C(C)(C)C	0.75	1.0
Compound_8314	CCCCCCOC(=O)C(C)C	0.77	1.0
Compound_8315	CCCCCCOC(=O)C(CC)C	0.78	1.0
Compound_8316	CCCCCCOC(=O)c1cccnc1	0.53	1.0
Compound_8317	CCCCCCOC(=O)CC	0.86	1.0
Compound_8318	CCCCCCOC(=O)CC(C)C	0.77	1.0
Compound_8319	CCCCCCOC(=O)CCC	0.86	1.0
Compound_8320	CCCCCCOC(=O)CCCCC	0.86	1.0
Compound_8321	CCCCCCOC(=O)CCCCC(=O)OCCCCCC	0.58	1.0
Compound_8322	CCCCCCOC(=O)C	0.86	1.0
Compound_8323	CCCCCCOC(OCCCCCC)C	0.76	1.0
Compound_8324	CCCCCCOC=O	0.91	1.0
Compound_8325	CCCCCOC(=O)C(C)C	0.76	1.0
Compound_8326	CCCCCOC(=O)C(CC)C	0.78	1.0
Compound_8327	CCCCCOC(=O)CC	0.86	1.0
Compound_8328	CCCCCOC(=O)CC(C)C	0.77	1.0
Compound_8329	CCCCCOC(=O)CCC	0.86	1.0
Compound_8330	CCCCCOC(=O)CCCC	0.86	1.0
Compound_8331	CCCCCOC(=O)CCCCC	0.86	1.0
Compound_8332	CCCCCOC(=O)C	0.87	1.0
Compound_8333	CCCCCOC(OCCCCC)C	0.76	1.0
Compound_8334	CCCCCOC=O	0.9	1.0
Compound_8335	CCCCCOCCCCC	0.88	1.0
Compound_8336	CCCCOC(=O)C(C)(C)C	0.74	1.0
Compound_8337	CCCCOC(=O)C(C)C	0.75	1.0
Compound_8338	CCCCOC(=O)C(CC)C	0.76	1.0
Compound_8339	CCCCOC(=O)C(CCC)C	0.76	1.0
Compound_8340	CCCCOC(=O)CC	0.86	1.0
Compound_8341	CCCCOC(=O)CC(C)C	0.82	1.0
Compound_8342	CCCCOC(=O)C(CC(=O)OCCCC)NCCCCCCNC(C(=O)OCCCC)CC(=O)OCCCC	0.19	0.0
Compound_8343	CCCCOC(=O)CCC	0.89	1.0
Compound_8344	CCCCOC(=O)CCC(=O)OCCCC	0.87	1.0
Compound_8345	CCCCOC(=O)CCC(OOC(C)(C)C)(OOC(C)(C)C)C	0.62	1.0
Compound_8346	CCCCOC(=O)CCC(=O)C	0.77	1.0
Compound_8347	CCCCOC(=O)CCCC	0.89	1.0
Compound_8348	CCCCOC(=O)CCCC(=O)OCCCC	0.87	1.0
Compound_8349	CCCCOC(=O)CCCCC(=O)OCCCC	0.87	1.0
Compound_8350	CCCCOC(=O)CCS	0.91	1.0
Compound_8351	CCCCOC(=O)CSCSCC(=O)OCCCC	0.91	1.0
Compound_8352	CCCCOC(=O)OCCCC	0.85	1.0
Compound_8353	CCCCOC(=O)C	0.84	1.0
Compound_8354	CCCCOC=C	0.83	1.0
Compound_8355	CCCCOC=O	0.89	1.0
Compound_8356	CCCCOCC	0.88	1.0
Compound_8357	CCCCOCC=C	0.84	1.0
Compound_8358	CCCCOCc1ccc(c(c1)OC)O	0.81	1.0
Compound_8359	CCCCOCCCC	0.86	1.0
Compound_8360	CCCCOCCCC	0.86	1.0
Compound_8361	CCCCOCN1C(=O)N(C2C1N(COCCCC)C(=O)N2COCCCC)COCCCC	0.24	0.0
Compound_8362	CCCCOCOCCCC	0.9	1.0
Compound_8363	CCCOC(=O)C(C)C	0.74	1.0
Compound_8364	CCCOC(=O)C(CC)C	0.76	1.0
Compound_8365	CCCOC(=O)CC	0.89	1.0
Compound_8366	CCCOC(=O)CC(C)C	0.85	1.0
Compound_8367	CCCOC(=O)CCC	0.88	1.0
Compound_8368	CCCOC(=O)CCC(=O)OCCC	0.83	1.0
Compound_8369	CCCOC(=O)CCCCC(=O)OCCC	0.83	1.0
Compound_8370	CCCOC(=O)OCCC	0.73	1.0
Compound_8371	CCCOC(=O)OOC(=O)OCCC	0.54	1.0
Compound_8372	CCCOC(=O)C	0.84	1.0
Compound_8373	CCCOC(OCCC)C	0.77	1.0
Compound_8374	CCCOC(=O)Cl	0.83	1.0
Compound_8375	CCCOC=C	0.82	1.0
Compound_8376	CCOCCC	0.89	1.0
Compound_8377	CCCOCCC	0.88	1.0
Compound_8378	CCCOCCCl	0.84	1.0
Compound_8379	CCN=C(OCC(C)C)S	0.61	1.0
Compound_8380	CCO[Si](OCC)(OCC)CCCC1CC(=O)OC1=O	0.56	1.0
Compound_8381	COCC	0.83	1.0
Compound_8382	CCOC(=O)C(NC(C(=O)O)C)CCc1ccccc1	0.11	0.0
Compound_8383	CCOC(=O)C(N(c1ccc(cc1)C)S(=O)O)CO	0.47	0.0
Compound_8384	CCOC(=O)C#C	0.88	1.0
Compound_8385	CCOC(=O)C(C(C)C)Br	0.78	1.0
Compound_8386	CCOC(=O)C(CBr)Br	0.87	1.0
Compound_8387	CCOC(=O)C(Br)(C)C	0.74	1.0
Compound_8388	CCOC(=O)C(C)(C)C	0.81	1.0
Compound_8389	CCOC(=O)C([Si](OC)(OC)OC)C	0.69	1.0
Compound_8390	CCOC(=O)C(=O)C	0.53	1.0
Compound_8391	CCOC(=O)C(Br)C	0.85	1.0
Compound_8392	CCOC(=O)C(C)C	0.81	1.0
Compound_8393	CCOC(=O)C(C=CC)C	0.77	1.0
Compound_8394	CCOC(=O)C(CC)C	0.8	1.0
Compound_8395	CC(C(=O)OCC)CC=C	0.82	1.0
Compound_8396	CCOC(=O)C(S)C	0.81	1.0
Compound_8397	CCOC(=O)C(F)(F)F	0.9	1.0
Compound_8398	CCOC(=O)CC(CCl)O	0.59	1.0
Compound_8399	CCC=CCC(=O)OCC	0.79	1.0
Compound_8400	CCC=CCC(=O)OCC	0.79	1.0
Compound_8401	CCOC(=O)c1ccccn1	0.66	1.0
Compound_8402	CCOC(=O)c1ccncc1	0.61	1.0
Compound_8403	CCOC(=O)c1cccnc1	0.49	0.0
Compound_8404	CCOC(=O)c1n[nH]nc1C	0.36	0.0
Compound_8405	CCOC(=O)C1CCC(=CC1)C	0.85	1.0
Compound_8406	CCOC(=O)CBr	0.77	1.0
Compound_8407	CCOC(=O)CC	0.91	1.0
Compound_8408	CCOC(=O)CC(OOC(CC)(C)C)(OOC(CC)(C)C)C	0.65	1.0
Compound_8409	CCOC(=O)CC(C)C	0.8	1.0
Compound_8410	CCOC(=O)CC(O)C	0.69	1.0
Compound_8411	CCOC(=O)CC(S)C	0.79	1.0
Compound_8412	CCOC(=O)CC(SC)C	0.75	1.0
Compound_8413	CCOC(=O)CC[Si](OCC)(OCC)OCC	0.87	1.0
Compound_8414	CCOC(=O)CC=C(C)C	0.81	1.0
Compound_8415	BrCCC(=O)OCC	0.85	1.0
Compound_8416	CCOC(=O)CCC(=O)OCC	0.83	1.0
Compound_8417	CCOC(=O)CCC(=O)C	0.66	1.0
Compound_8418	CCOC(=O)CCC=CCC=C	0.78	1.0
Compound_8419	BrCCCC(=O)OCC	0.85	1.0
Compound_8420	CCOC(=O)CCCC(=O)OCC	0.83	1.0
Compound_8421	CCOC(=O)CCCCC(=O)OCC	0.83	1.0
Compound_8422	CCOC(=O)CCCCCOC(=O)C	0.66	1.0
Compound_8423	ClCCC(=O)OCC	0.85	1.0
Compound_8424	CSCCCC(=O)OCC	0.84	1.0
Compound_8425	CCOC(=O)CCCSC(=O)C	0.69	1.0
Compound_8426	SCCC(=O)OCC	0.79	1.0
Compound_8427	CSCCC(=O)OCC	0.84	1.0
Compound_8428	CCOC(=O)CF	0.81	1.0
Compound_8429	CCOC(=O)CN(C)C	0.36	0.0
Compound_8430	CCOC(=O)CNCC(=O)OCC	0.44	0.0
Compound_8431	CCOC(=O)CP(=O)(OCC)OCC	0.85	1.0
Compound_8432	CCOC(=O)OC	0.73	1.0
Compound_8433	CCOC(=O)OC(=O)c1cccc(c1)C(=O)OC(=O)OCC	0.35	0.0
Compound_8434	CCOC(=O)Oc1ccc(cc1)C	0.83	1.0
Compound_8435	CCOC(=O)OCC	0.69	1.0
Compound_8436	CCOC(C#CC(CCC(C)C)(OCC)C)(CCC(C)C)C	0.71	1.0
Compound_8437	CCOC(OCC)(OCC)C	0.75	1.0
Compound_8438	CCOC(=O)C	0.88	1.0
Compound_8439	CCOC(CC)C	0.84	1.0
Compound_8440	CCOC(OC)C	0.81	1.0
Compound_8441	CCOC(OCC)C	0.85	1.0
Compound_8442	CCC=CCCOC(OCC)C	0.71	1.0
Compound_8443	CCC=CCCOC(OCC)C	0.71	1.0
Compound_8444	BrCC(OCC)OCC	0.75	1.0
Compound_8445	CCOC(CC(C)C)OCC	0.76	1.0
Compound_8446	CCOC(CC(OCC)OCC)OCC	0.65	1.0
Compound_8447	CCC(OCC)(OCC)OCC	0.65	1.0
Compound_8448	CCC(OCC)OCC	0.78	1.0
Compound_8449	CCOC(OCC)CCCC(OCC)OCC	0.72	1.0
Compound_8450	CCOC(OCC)CCCCC(C)C	0.78	1.0
Compound_8451	CCOC(=O)Cl	0.94	1.0
Compound_8452	CCOC(C(C(F)(F)F)(C(F)(F)F)F)(F)F	0.78	1.0
Compound_8453	CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.79	1.0
Compound_8454	CCOC([SiH2]C=C)OCC	0.74	1.0
Compound_8455	CCC=CCCC=CC(OCC)OCC	0.79	1.0
Compound_8456	CCC=CCCC=CC(OCC)OCC	0.79	1.0
Compound_8457	CCOC(C(C)C)OCC	0.8	1.0
Compound_8458	CCOC(C=C(CCC=C(C)C)C)OCC	0.82	1.0
Compound_8459	CCOC(c1ccc(cc1)OC)OCC	0.74	1.0
Compound_8460	CCOC(c1ccc2c(c1)OCO2)OCC	0.66	1.0
Compound_8461	CCOC(OCC)OCC	0.7	1.0
Compound_8462	CCOCC=C(CCC=C(C)C)C	0.82	1.0
Compound_8463	CCOCC=C(CCC=C(C)C)C	0.82	1.0
Compound_8464	CCOCC=C(CCC=C(C)C)C	0.82	1.0
Compound_8465	CCOC=C	0.83	1.0
Compound_8466	CCOC=O	0.93	1.0
Compound_8467	CCOC1CCCC(O1)OCC	0.74	1.0
Compound_8468	CCOC1C(=O)NC(=O)N1Cc1ccccc1	0.18	0.0
Compound_8469	CCOCC	0.85	1.0
Compound_8470	CCOCc1ccccc1	0.81	1.0
Compound_8471	CCOCc1ccccc1OC	0.7	1.0
Compound_8472	NCCCOCC	0.53	1.0
Compound_8473	OCCCOCC	0.81	1.0
Compound_8474	CCOCCCOC(=O)C	0.78	1.0
Compound_8475	OCCCOCCCOCC	0.78	1.0
Compound_8476	CCOCCN(C)C	0.37	0.0
Compound_8477	CCOCOCC	0.84	1.0
Compound_8478	CCC1C(=O)OCC1Cc1cncn1C	0.18	0.0
Compound_8479	CCOC(=O)C(NC(=O)c1ccccc1)CCCN=C(N)N	0.09	0.0
Compound_8480	CCOC(=O)CN	0.44	0.0
Compound_8481	NCCCCC(C(=O)OCCN)N	0.2	0.0
Compound_8482	COC(=O)C(CCCCN)N	0.14	0.0
Compound_8483	ClC(=O)OCc1ccccc1	0.91	1.0
Compound_8484	O=C1OC(=O)c2c3c1cccc3c(cc2)Cl	0.59	1.0
Compound_8485	O=C1OC(=O)c2c1c(Cl)ccc2	0.53	1.0
Compound_8486	Clc1ccc2c(c1)C(=O)OC2=O	0.53	1.0
Compound_8487	Clc1nc(nc(n1)Cl)N1CCOCC1	0.15	0.0
Compound_8488	ClC1COC1	0.76	1.0
Compound_8489	ClCCOC(=O)OCCCl	0.7	1.0
Compound_8490	ClCCOC(=O)Cl	0.82	1.0
Compound_8491	ClCCOCCCl	0.78	1.0
Compound_8492	ClCOCCl	0.78	1.0
Compound_8493	CN(CCOCCCN(C)C)C	0.36	0.0
Compound_8494	CN(CCOC(=O)CCCCC(=O)OCCN(C)C)C	0.25	0.0
Compound_8495	CN(CCOCCN(C)C)C	0.33	0.0
Compound_8496	CN(CCOCCN(C)C)C	0.33	0.0
Compound_8497	CN(CCOCCN(C)C)C	0.33	0.0
Compound_8498	CN1CCOCC1	0.24	0.0
Compound_8499	CN1COCC1(C)C	0.53	1.0
Compound_8500	COC(=O)c1ccccc1NC	0.67	1.0
Compound_8501	CNCCOC	0.57	1.0
Compound_8502	COC	0.71	1.0
Compound_8503	COC	0.71	1.0
Compound_8504	CC(C(=O)OC)CO	0.77	1.0
Compound_8505	COC(=O)C#C	0.81	1.0
Compound_8506	COC(=O)C(C)(C)C	0.82	1.0
Compound_8507	COC(=O)C(=O)C	0.41	0.0
Compound_8508	COC(=O)C(Br)C	0.86	1.0
Compound_8509	COC(=O)C(C)C	0.73	1.0
Compound_8510	COC(=O)C1(C)CCC(=CC1)C	0.52	1.0
Compound_8511	COC(=O)C1(C)CCC=CC1	0.53	1.0
Compound_8512	COC(=O)c1cccc(c1S(=O)(=O)Cl)C	0.77	1.0
Compound_8513	COC(=O)c1ccccc1C	0.84	1.0
Compound_8514	COC(=O)c1ccccc1C(=O)OC	0.8	1.0
Compound_8515	COC(=O)c1ccccc1N=CC=C(CCC=C(C)C)C	0.48	0.0
Compound_8516	COC(=O)c1ccccc1N=CC1CCC(=CC1C)C	0.42	0.0
Compound_8517	COC(=O)c1ccccc1N=CC1CCC(=CC1C)C	0.42	0.0
Compound_8518	O=C=NS(=O)(=O)c1ccccc1C(=O)OC	0.53	1.0
Compound_8519	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC	0.37	0.0
Compound_8520	COC(=O)c1ccccc1S(=O)(=O)N	0.52	1.0
Compound_8521	O=C=NS(=O)(=O)Cc1ccccc1C(=O)OC	0.51	1.0
Compound_8522	COC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C	0.29	0.0
Compound_8523	COC(=O)c1ccccc1N	0.65	1.0
Compound_8524	COC(=O)c1ccccc1NC(=O)C	0.68	1.0
Compound_8525	O=CNc1ccccc1C(=O)OC	0.67	1.0
Compound_8526	COC(=O)c1cccc(c1O)C	0.79	1.0
Compound_8527	COC(=O)c1cc(C)ccc1O	0.79	1.0
Compound_8528	COC(=O)c1ccccc1O	0.84	1.0
Compound_8529	COC(=O)c1ccccc1OC	0.81	1.0
Compound_8530	COC(=O)c1cc(N)cc(c1)C(=O)OC	0.69	1.0
Compound_8531	COC(=O)c1cccc(c1)C(=O)OC	0.66	1.0
Compound_8532	COC(=O)c1cc(ccc1C(=O)OC)C(=O)OC	0.73	1.0
Compound_8533	COC(=O)c1ccc(cc1)C	0.86	1.0
Compound_8534	COC(=O)c1ccc(cc1O)C	0.79	1.0
Compound_8535	COC(=O)c1ccc(cc1)C(=O)OC	0.66	1.0
Compound_8536	COC(=O)c1ccc(cc1)C(=O)O	0.72	1.0
Compound_8537	COC(=O)c1cccc(c1)N	0.81	1.0
Compound_8538	COC(=O)c1ccccc1	0.91	1.0
Compound_8539	COC(=O)c1ccccc1C=O	0.86	1.0
Compound_8540	COC(=O)c1ccccc1CS(=O)(=O)N	0.36	0.0
Compound_8541	COC(=O)c1ccccc1N=CC1CC(C)C=C(C1)C	0.42	0.0
Compound_8542	COC(=O)c1ccccc1N=CCC(CC(C)(C)C)C	0.45	0.0
Compound_8543	COC(=O)c1ccccc1N=CCC(CCC=C(C)C)C	0.4	0.0
Compound_8544	COC(=O)c1ccccc1OC(=O)Oc1ccccc1C(=O)OC	0.7	1.0
Compound_8545	COC(=O)c1ccc2c(c1)ccc(c2)C(=O)OC	0.52	1.0
Compound_8546	COC(=O)c1ccc(nc1)C	0.48	0.0
Compound_8547	COC(=O)c1cccnc1	0.44	0.0
Compound_8548	COC(=O)C1CC1	0.81	1.0
Compound_8549	COC(=O)CBr	0.82	1.0
Compound_8550	COC(=O)CC(=O)C(C)(C)C	0.63	1.0
Compound_8551	COC(=O)CC(=O)C(C)C	0.57	1.0
Compound_8552	COC(=O)CC(=O)CC(=O)OC	0.58	1.0
Compound_8553	COC(=O)CC(=O)OC	0.6	1.0
Compound_8554	COC(=O)CC(P(=O)(OC)OC)C(=O)OC	0.75	1.0
Compound_8555	COC(=O)CC(C(=O)OC)C(=O)C	0.53	1.0
Compound_8556	COC(=O)CC(=O)C	0.61	1.0
Compound_8557	COC(=O)CC(C)C	0.72	1.0
Compound_8558	COC(=O)CC(CCC=C(C)C)C	0.8	1.0
Compound_8559	COC(=O)CCC=CCC=C	0.71	1.0
Compound_8560	COC(=O)CCC(=O)OC	0.69	1.0
Compound_8561	COC(=O)CCC(=O)C	0.71	1.0
Compound_8562	COC(=O)CCC(C)C	0.72	1.0
Compound_8563	COC(=O)CCCC(=O)OC	0.69	1.0
Compound_8564	COC(=O)CCCCC(=O)OC	0.72	1.0
Compound_8565	COC(=O)CCCCCC(=O)OC	0.73	1.0
Compound_8566	CSCCCC(=O)OC	0.85	1.0
Compound_8567	COC(=O)CCNCCNCCC[Si](OC)(OC)OC	0.3	0.0
Compound_8568	COC(=O)CCS	0.82	1.0
Compound_8569	CSCCC(=O)OC	0.85	1.0
Compound_8570	COC(=O)CF	0.85	1.0
Compound_8571	COC(=O)CN1C(=O)c2c(C1=O)cccc2	0.24	0.0
Compound_8572	COC(=O)CS	0.88	1.0
Compound_8573	COC(=O)OC	0.62	1.0
Compound_8574	COC(=O)OC(=O)OC	0.5	0.0
Compound_8575	COC(=O)OCC#C	0.73	1.0
Compound_8576	COC(=O)OCc1ccccc1	0.8	1.0
Compound_8577	COC(C)(C)C	0.87	1.0
Compound_8578	COC(CC(=O)C)(C)C	0.8	1.0
Compound_8579	C=CC(CCCC(OC)(C)C)C	0.73	1.0
Compound_8580	O=CC(CCCC(OC)(C)C)C	0.79	1.0
Compound_8581	OCCC(OC)(C)C	0.68	1.0
Compound_8582	COC(CCOC(=O)C)(C)C	0.76	1.0
Compound_8583	COC(OC)(C)C	0.7	1.0
Compound_8584	COC(OC)(OC)C	0.61	1.0
Compound_8585	COC(=C)C	0.64	1.0
Compound_8586	COC(=O)C	0.82	1.0
Compound_8587	COC(C)C	0.74	1.0
Compound_8588	CC(OC)CCO	0.82	1.0
Compound_8589	COC(CCOC(=O)C)C	0.76	1.0
Compound_8590	COC(CCOC(=O)Cl)C	0.73	1.0
Compound_8591	COC(CCOOC(=O)C(=O)OOCCC(OC)C)C	0.57	1.0
Compound_8592	COC(OC)C	0.72	1.0
Compound_8593	COC(CC(CC(C)(C)C)C)OC	0.73	1.0
Compound_8594	COC(CC(CCC=C(C)C)C)OC	0.73	1.0
Compound_8595	COC(CC(OC)OC)OC	0.68	1.0
Compound_8596	COC(CCCC(OC)OC)OC	0.71	1.0
Compound_8597	ClCC(OC)OC	0.77	1.0
Compound_8598	NCC(CC[SiH2]C(OC)OC)(C)C	0.31	0.0
Compound_8599	COC(C(CC=C(C)C)(C)C)OC	0.64	1.0
Compound_8600	COC(C(N)C)OC	0.55	1.0
Compound_8601	OCC(C(OC)OC)(CC(C(OC)OC)(CO)CO)CO	0.55	1.0
Compound_8602	COC(C=C(CCC=C(C)C)C)OC	0.6	1.0
Compound_8603	COC(c1ccc(cc1)C)OC	0.81	1.0
Compound_8604	COc1ccc(cc1)C(OC)OC	0.78	1.0
Compound_8605	COC(c1ccccc1)OC	0.78	1.0
Compound_8606	COC(c1ccc2c(c1)OCO2)OC	0.52	1.0
Compound_8607	COC(N(C)C)OC	0.5	0.0
Compound_8608	COC(OC)OC	0.6	1.0
Compound_8609	COCC=C(CCC=C(C)C)C	0.79	1.0
Compound_8610	COCC=C(CCC=C(C)C)C	0.79	1.0
Compound_8611	COC=C	0.77	1.0
Compound_8612	COC=O	0.85	1.0
Compound_8613	COc1cc(ccc1O)C1OC(C)CC(O1)(C)C	0.48	0.0
Compound_8614	COc1ccc(cc1)COC(=O)C	0.88	1.0
Compound_8615	COc1ccc(cc1)COC=O	0.91	1.0
Compound_8616	COC1=NCCCCC1	0.32	0.0
Compound_8617	COC1CCC(O1)OC	0.68	1.0
Compound_8618	COC1CCC=CO1	0.58	1.0
Compound_8619	COC1CCc2c1cccc2	0.6	1.0
Compound_8620	COC1CCCC(O1)OC	0.74	1.0
Compound_8621	COCC(N)C	0.34	0.0
Compound_8622	COCc1ccc(c(c1)OC)O	0.62	1.0
Compound_8623	COCc1ccc(cc1)COC	0.75	1.0
Compound_8624	COCc1ccc(cc1)OC	0.73	1.0
Compound_8625	COCc1ccc(cc1)Oc1ccc(cc1)COC	0.71	1.0
Compound_8626	COCc1ccccc1	0.77	1.0
Compound_8627	COCCC(=O)OC	0.78	1.0
Compound_8628	COCCC(S)(C)C	0.68	1.0
Compound_8629	COCCC(CCC=C(C)C)C	0.79	1.0
Compound_8630	COCCC[Si](OC)(OC)OC	0.61	1.0
Compound_8631	OCCCCCCOC	0.88	1.0
Compound_8632	COCCCN	0.46	0.0
Compound_8633	COCCCO	0.76	1.0
Compound_8634	COCCCOCCCO	0.78	1.0
Compound_8635	COCCl	0.76	1.0
Compound_8636	COCCN	0.62	1.0
Compound_8637	COCCN(CCOC)O	0.47	0.0
Compound_8638	COCCNCCOC	0.52	1.0
Compound_8639	COCN(c1nc(nc(n1)N(COC)COC)N(COC)COC)COC	0.4	0.0
Compound_8640	COCN1C(O)C(N(C1=O)COC)O	0.31	0.0
Compound_8641	COCn1cncc1	0.36	0.0
Compound_8642	COCN1C(=O)N(C2C1N(COC)C(=O)N2COC)COC	0.28	0.0
Compound_8643	COCNC(=O)NCOC	0.3	0.0
Compound_8644	COCO	0.82	1.0
Compound_8645	COCOC	0.74	1.0
Compound_8646	CSCC(OC(=O)C)C	0.81	1.0
Compound_8647	CSCCCOC(=O)C	0.82	1.0
Compound_8648	C=CCOC(C(F)F)(F)F	0.74	1.0
Compound_8649	Nc1ccc(cc1)C(=O)OCc1ccccc1	0.72	1.0
Compound_8650	Nc1nc(CCC2OCC3(CO2)COC(OC3)CCc2nc(N)nc(n2)N)nc(n1)N	0.14	0.0
Compound_8651	NCC1CCCO1	0.4	0.0
Compound_8652	NCCCC1OCC2(CO1)COC(OC2)CCCN	0.1	0.0
Compound_8653	NCCCOCCCCOCCCN	0.4	0.0
Compound_8654	O=C(OCc1ccccc1)CCCCC(=O)OCc1ccccc1	0.88	1.0
Compound_8655	O=C(OCC1CCC=CC1)CCCCC(=O)OCC1CCC=CC1	0.81	1.0
Compound_8656	O=C(c1ccccc1)OC(=O)c1ccccc1	0.49	0.0
Compound_8657	O=C(c1ccc(cc1)C(=O)OCc1ccccc1)OCc1ccccc1	0.81	1.0
Compound_8658	O=C(c1ccccc1)OCc1ccccc1	0.82	1.0
Compound_8659	O=C(c1ccccc1C(=O)OCc1ccccc1)OCc1ccccc1	0.89	1.0
Compound_8660	O=C(c1ccc2c(c1)cccc2)OCc1ccccc1	0.84	1.0
Compound_8661	O=C(c1cccnc1)OCc1ccccc1	0.5	0.0
Compound_8662	O=C(OOC(=O)OCc1ccccc1)OCc1ccccc1	0.41	0.0
Compound_8663	O=C(C1CCC=CC1)OCC1CCC=CC1	0.78	1.0
Compound_8664	O=C1CCC(=O)O1	0.51	1.0
Compound_8665	O=C1CCCC(=O)O1	0.6	1.0
Compound_8666	O=C1CCCCCO1	0.8	1.0
Compound_8667	O=C1CCCCO1	0.77	1.0
Compound_8668	O=C1CCCO1	0.81	1.0
Compound_8669	O=c1n(CC2OC2)c(=O)n(c(=O)n1CC1OC1)CC1OC1	0.14	0.0
Compound_8670	O=c1n(CC2OC2)c(=O)n(c(=O)n1CC1OC1)CC1OC1	0.14	0.0
Compound_8671	O=C1OC(=O)C2C1CC=CC2	0.42	0.0
Compound_8672	O=C1OC(=O)C2C1CC=CC2	0.42	0.0
Compound_8673	O=C1OC(=O)c2c1cc(C#Cc1ccccc1)cc2	0.53	1.0
Compound_8674	O=C1OC(=O)c2c1cccc2	0.41	0.0
Compound_8675	O=C1OC(=O)c2c1cccc2	0.41	0.0
Compound_8676	O=C1OC(=O)c2c3c1cccc3ccc2	0.58	1.0
Compound_8677	O=C1OCc2c1cccc2	0.84	1.0
Compound_8678	C1CC=COC1C=O	0.75	1.0
Compound_8679	O=CN1CCOCC1	0.16	0.0
Compound_8680	O=COCc1ccccc1	0.91	1.0
Compound_8681	O=C1OC(=O)c2c1cc(cc2)C(=O)O	0.45	0.0
Compound_8682	OC(=O)CCC1OCC2(CO1)COC(OC2)CCC(=O)O	0.37	0.0
Compound_8683	O=C(c1ccccc1O)OCc1ccccc1	0.93	1.0
Compound_8684	OCC(COC(=O)CCCCC(=O)O)(CO)CO	0.48	0.0
Compound_8685	OCC(COCC(CO)(CO)CO)(COCC(CO)(CO)CO)CO	0.68	1.0
Compound_8686	OCC(COCOCC(CO)(CO)CO)(CO)CO	0.68	1.0
Compound_8687	OCC(COC(=O)CCCCC(=O)O)COCOCC(CO)CO	0.55	1.0
Compound_8688	OCC12COCN2COC1	0.42	0.0
Compound_8689	OCCCCOC(=O)CCCCC(=O)O	0.57	1.0
Compound_8690	OCCCCOC=C	0.72	1.0
Compound_8691	OCCCCOC1CCCO1	0.64	1.0
Compound_8692	OCCCOCCCO	0.69	1.0
Compound_8693	OCN1COCN(C1=O)CO	0.25	0.0
Compound_8694	OCOCc1ccccc1	0.64	1.0
Compound_8695	OCOCC12COCN2COC1	0.41	0.0
Compound_8696	OCOCOCc1ccccc1	0.63	1.0
Compound_8697	ON1CCOCC1	0.37	0.0
Compound_8698	SCCC(=O)OCCn1c(=O)n(CCOC(=O)CCS)c(=O)n(c1=O)CCOC(=O)CCS	0.1	0.0
Compound_8699	C=CC(=O)OCC[N+](C)(C)C	0.18	0.0
Compound_8700	C=CC(=O)OCC[N+](C)(C)C	0.18	0.0
Compound_8701	C=CC(=O)OCC[N+](C)(C)C	0.18	0.0
Compound_8702	C=CC(=O)OCC[N+](Cc1ccccc1)(C)C	0.07	0.0
Compound_8703	CC(=C)C(=O)OCC[N+](C)(C)C	0.22	0.0
Compound_8704	CC(=C)C(=O)OCC[N+](C)(C)C	0.22	0.0
Compound_8705	CC(=C)C(=O)OCC[N+](C)(C)C	0.22	0.0
Compound_8706	CC(=C)C(=O)OCC[N+](Cc1ccccc1)(C)C	0.16	0.0
Compound_8707	ClCC1=C(C(=O)OCc2ccc(cc2)OC)N2C(SC1)C(C2=O)NC(=O)Cc1ccccc1	0.11	0.0
Compound_8708	C=CC(=O)OCCCS(=O)(=O)O	0.44	0.0
Compound_8709	O=C(C(=C)C)OCCCS(=O)(=O)O	0.43	0.0
Compound_8710	O=C(C(=C)C)OCCS(=O)(=O)O	0.46	0.0
Compound_8711	O=C(C(=C)C)OCCS(=O)(=O)O	0.46	0.0
Compound_8712	C[N+](=CCOC(=O)C(=C)C)C	0.27	0.0
Compound_8713	C=CC(=O)OCc1c(Br)c(Br)c(c(c1Br)Br)Br	0.81	1.0
Compound_8714	CC=C(C(=O)OCC=C(CCC=C(C)C)C)C	0.91	1.0
Compound_8715	CC=C(C(=O)OCC(C)C)C	0.75	1.0
Compound_8716	CC=C(C(=O)OCC(C)C)C	0.75	1.0
Compound_8717	CC=C(C(=O)OCc1ccccc1)C	0.76	1.0
Compound_8718	CC=C(C(=O)OCCC(C)C)C	0.82	1.0
Compound_8719	CC=C(C(=O)OCCC(C)C)C	0.82	1.0
Compound_8720	CC=C(C(=O)OCC(=C)C)C	0.76	1.0
Compound_8721	CC=CC(=O)OC(=O)C=CC	0.34	0.0
Compound_8722	CCCCOC(=O)C=C	0.84	1.0
Compound_8723	CCCCOC(=O)C=C	0.84	1.0
Compound_8724	C=CC(=O)OCc1ccccc1	0.88	1.0
Compound_8725	C=CC(=O)OCCC#N	0.55	1.0
Compound_8726	C=CC(=O)OCCCCCCOC(=O)C=C	0.78	1.0
Compound_8727	C=CC(=O)OCCCCCCOC(=O)C=C	0.78	1.0
Compound_8728	C=CC(=O)OCCCCOC(=O)C=C	0.76	1.0
Compound_8729	C=CC(=O)OCCCOC(=O)C=C	0.67	1.0
Compound_8730	C=CC(=O)OCCCOCCCOCCCOC(=O)C=C	0.74	1.0
Compound_8731	C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(c1=O)CCOC(=O)C=C	0.1	0.0
Compound_8732	C=CCOC(=O)C=CC(=O)OCC=C	0.6	1.0
Compound_8733	C=C(C(=O)OCC=C)C#N	0.73	1.0
Compound_8734	O=C(C(=C)C)OC(=O)C(=C)C	0.56	1.0
Compound_8735	O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C	0.64	1.0
Compound_8736	FC(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)F	0.73	1.0
Compound_8737	O=C(C(=C)C)OCC(C(C(F)(F)F)(F)F)(F)F	0.77	1.0
Compound_8738	FC(C(COC(=O)C(=C)C)(F)F)C(F)(F)F	0.77	1.0
Compound_8739	FC(C(COC(=O)C(=C)C)(F)F)F	0.73	1.0
Compound_8740	O=C(C(=C)C)OCC(F)(F)F	0.77	1.0
Compound_8741	C=CCOC(=O)C(=C)C	0.85	1.0
Compound_8742	O=C(C(=C)C)OCc1ccccc1	0.82	1.0
Compound_8743	CC(=C)C(=O)OCCC[Si](Cl)(C)C	0.68	1.0
Compound_8744	O=C(C(=C)C)OCCC[Si](O[Si](CCCOC(=O)C(=C)C)(C)C)(C)C	0.82	1.0
Compound_8745	CC(=C)C(=O)OCCC[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C	0.75	1.0
Compound_8746	CC(=C)C(=O)OCCC[Si](Cl)(Cl)C	0.64	1.0
Compound_8747	O=C(C(=C)C)OCCC[Si](Cl)(Cl)Cl	0.66	1.0
Compound_8748	CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	0.67	1.0
Compound_8749	CC(=O)O[Si](OC(=O)C)(OC(=O)C)CCCOC(=O)C(=C)C	0.73	1.0
Compound_8750	Nc1nc(CCOC(=O)C(=C)C)nc(n1)N	0.17	0.0
Compound_8751	CC(=C)C(=O)OCCCc1ccccc1	0.8	1.0
Compound_8752	O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C	0.83	1.0
Compound_8753	O=C(C(=C)C)OCCCCOC(=O)C(=C)C	0.8	1.0
Compound_8754	CC(=C)C(=O)OCCCO	0.34	0.0
Compound_8755	CC(=C)C(=O)OCCN	0.38	0.0
Compound_8756	CC(=C)C(=O)OCCN=C=O	0.36	0.0
Compound_8757	CC(=C)C(=O)OCCN1CCNC1=O	0.18	0.0
Compound_8758	CC(=C)C(=O)OCCNC(C)(C)C	0.28	0.0
Compound_8759	C=CC(=O)OC(C)(C)C	0.73	1.0
Compound_8760	C=CC(=O)OCC(COC(=O)C=C)(C)C	0.62	1.0
Compound_8761	CC(=C)CCOC(=O)C=C(C)C	0.82	1.0
Compound_8762	CC(=CCOC(=O)C(=C(C)C)C)CCC=C(C)C	0.91	1.0
Compound_8763	CC(=CCOC(=O)C=C(C)C)C	0.77	1.0
Compound_8764	CC(OC(=O)C=CC(=O)OC(CC(C)C)C)CC(C)C	0.58	1.0
Compound_8765	CC(CCCCCOC(=O)C=CC(=O)OCCCCCC(C)C)C	0.58	1.0
Compound_8766	CC(COC(=O)C=CC(=O)OCC(C)C)C	0.54	1.0
Compound_8767	CC(COC(=O)C=CC(=O)O)C	0.52	1.0
Compound_8768	CC(COC(=O)C(=C)C#N)C	0.72	1.0
Compound_8769	CC(COC(=O)C(=C)C)C	0.76	1.0
Compound_8770	C=CC(=O)OCC(C)C	0.8	1.0
Compound_8771	CC(O[Si](OC(C)C)(OC(C)C)CCCOC(=O)C(=C)C)C	0.79	1.0
Compound_8772	C=CC(=O)OC(C)C	0.73	1.0
Compound_8773	CC(OC(=O)C=CC(=O)OC(C)C)C	0.39	0.0
Compound_8774	C=CC(=O)OCCC(OC(=O)C=C)C	0.73	1.0
Compound_8775	CN(CCOC(=O)C(=C)C)C	0.34	0.0
Compound_8776	CN(CCOC(=O)C(=C)C)C	0.34	0.0
Compound_8777	CC(CCOC(=O)C(=C)C)O	0.5	0.0
Compound_8778	CCC=CCCOC(=O)C=CC	0.81	1.0
Compound_8779	CCC=CCCOC(=O)C(=CC)C	0.85	1.0
Compound_8780	CCC=CCCOC(=O)C=C(C)C	0.87	1.0
Compound_8781	CC=CC(=O)OC(CC(C)C)C	0.69	1.0
Compound_8782	CC=CC(=O)OCC=C(CCC=C(C)C)C	0.91	1.0
Compound_8783	CC=CC(=O)OCC(C)C	0.77	1.0
Compound_8784	CC=CC(=O)OCc1ccccc1	0.89	1.0
Compound_8785	CC=CC(=O)OCCC(C)C	0.8	1.0
Compound_8786	CC1=CC(=O)OC(O1)(C)C	0.5	0.0
Compound_8787	CC1C=CC(=O)O1	0.69	1.0
Compound_8788	CC(CC)COC(=O)C=C	0.84	1.0
Compound_8789	C=CC(=O)OCC(COC(=O)C=C)(CO)CC	0.46	0.0
Compound_8790	CCCC=CC(=O)OC	0.72	1.0
Compound_8791	CCCC=CC(=O)OCC	0.81	1.0
Compound_8792	CCCC=CC(=O)OCCC=CCC	0.85	1.0
Compound_8793	CCC1(COC(=O)C=C)COCOC1	0.66	1.0
Compound_8794	C=CC(=O)OCC(C1OCC(CO1)(CC)C(=C)C(=O)OC)(C)C	0.52	1.0
Compound_8795	CCCC1CC(=C(O1)C)C(=O)OCC	0.64	1.0
Compound_8796	CCCCC(COC(=O)C=CC(=O)OCC(CCCC)CC)CC	0.52	1.0
Compound_8797	CCCCC(COC(=O)C=CC(=O)OCC(CCCC)CC)CC	0.52	1.0
Compound_8798	CCCCC(COC(=O)C=CC(=O)O)CC	0.52	1.0
Compound_8799	CCCCC(COC(=O)C(=C)C)CC	0.89	1.0
Compound_8800	CCCCC(COC(=O)C=C)CC	0.85	1.0
Compound_8801	CCCCCC1CC=CC(=O)O1	0.77	1.0
Compound_8802	CCCCCC1CC=CC(=O)O1	0.77	1.0
Compound_8803	CCCCCC=CC(=O)OCC	0.87	1.0
Compound_8804	CCCCCCCC=CC(=O)OCC	0.88	1.0
Compound_8805	CCCCCCC=CC(=O)OC	0.86	1.0
Compound_8806	CCCCCCOC(=O)C=CC(=O)OCCCCCC	0.58	1.0
Compound_8807	CCCCCCOC(=O)C=CC(=O)OCCCCCC	0.58	1.0
Compound_8808	CCCCCCOC(=O)C(=CC)C	0.88	1.0
Compound_8809	CCCCCCOC(=O)C(=C)C	0.84	1.0
Compound_8810	CCCCCCOC(=O)C=C	0.82	1.0
Compound_8811	CCCCCCOC(=O)C=C(C)C	0.91	1.0
Compound_8812	CCCCCCOC(=O)C=CC	0.84	1.0
Compound_8813	CCCCOC(=O)C=CC(=O)OCCCC	0.78	1.0
Compound_8814	CCCCOC(=O)C=CC(=O)OCCCC	0.78	1.0
Compound_8815	CCCCOC(=O)C=CC(=O)O	0.73	1.0
Compound_8816	CCCCOC(=O)C(=C)C#N	0.75	1.0
Compound_8817	CCCCOC(=O)C(=C)C	0.78	1.0
Compound_8818	CCCCOC(=O)CC(=C)C(=O)OCCCC	0.81	1.0
Compound_8819	CCCOC(=O)C(=C)C#N	0.72	1.0
Compound_8820	CCCOC(=O)C(=C)C	0.76	1.0
Compound_8821	CCN([Si](CCCOC(=O)C(=C)C)(C)C)CC	0.42	0.0
Compound_8822	CCN(CCOC(=O)C(=C)C)CC	0.44	0.0
Compound_8823	CCO[Si](OCC)(CCCOC(=O)C(=C)C)C	0.79	1.0
Compound_8824	CCO[Si](OCC)(OCC)CCCOC(=O)C(=C)C	0.81	1.0
Compound_8825	CCOC(=O)C=C(CCC=C(C)C)C	0.79	1.0
Compound_8826	CCOC(=O)C=C(CCC=C(C)C)C	0.79	1.0
Compound_8827	CCOC(=O)C=CC(=O)OCC	0.42	0.0
Compound_8828	CCOC(=O)C=CC(=O)OCC	0.42	0.0
Compound_8829	CCOC(=O)C=CC(=O)O	0.48	0.0
Compound_8830	CCOC(=O)C=CC	0.83	1.0
Compound_8831	CCOC(=O)C=CC	0.83	1.0
Compound_8832	CCOC(=O)C=CN(C)C	0.44	0.0
Compound_8833	CCOC(=O)C(=CC)C	0.76	1.0
Compound_8834	CCOC(=O)C(=CC)C	0.76	1.0
Compound_8835	CCOC(=O)C(=CC(C)C)C	0.76	1.0
Compound_8836	CCOC(=O)C(=C)C#N	0.78	1.0
Compound_8837	CCOC(=O)C(=C)C	0.81	1.0
Compound_8838	CCOC(=O)C=C	0.88	1.0
Compound_8839	CCOC(=O)C=C(OCC)OCC	0.65	1.0
Compound_8840	CCOC(=O)C1=C(C)OC(C1)CC	0.57	1.0
Compound_8841	CCOC=C(C(=O)OCC)C#N	0.6	1.0
Compound_8842	CN(CCCOC(=O)C(=C)C)C	0.38	0.0
Compound_8843	C=CC(=O)OCCN(C)C	0.24	0.0
Compound_8844	CO[Si](CCCOC(=O)C(=C)C)(OC)C	0.69	1.0
Compound_8845	C=CC(=O)OCCC[Si](OC)(OC)C	0.71	1.0
Compound_8846	CO[Si](CCCOC(=O)C=CC(=O)OCCC[Si](OC)(OC)OC)(OC)OC	0.7	1.0
Compound_8847	CO[Si](CCCOC(=O)C(=C)C)(OC)OC	0.69	1.0
Compound_8848	C=CC(=O)OCCC[Si](OC)(OC)OC	0.71	1.0
Compound_8849	COC(=O)C=C(CCC=C(C)C)C	0.68	1.0
Compound_8850	COC(=O)C=C(CCC=C(C)C)C	0.68	1.0
Compound_8851	COC(=O)C=CC(=O)OC	0.19	0.0
Compound_8852	COC(=O)C=CC(=O)OC	0.19	0.0
Compound_8853	COC(=O)C=CC(=O)O	0.13	0.0
Compound_8854	COC(=O)C(=CC)C	0.72	1.0
Compound_8855	COC(=O)C(=CC)C	0.72	1.0
Compound_8856	COC(=O)C(=C)C#N	0.68	1.0
Compound_8857	COC(=O)C(=C)C	0.83	1.0
Compound_8858	COC(=O)C=C	0.82	1.0
Compound_8859	COC(=O)C=C	0.82	1.0
Compound_8860	COC(=O)C=C(C)C	0.72	1.0
Compound_8861	COC(=O)C=C1CCCC1	0.79	1.0
Compound_8862	COC(=O)C=CCBr	0.78	1.0
Compound_8863	CC[N+](CCOC(=O)C=C)(CC)C	0.3	0.0
Compound_8864	C=CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.8	1.0
Compound_8865	C=CC(=O)OCC(F)(F)F	0.87	1.0
Compound_8866	C1OC(=O)C=C1	0.82	1.0
Compound_8867	OCCCCOC(=O)C=C	0.29	0.0
Compound_8868	OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(c1=O)CCOC(=O)C=C	0.09	0.0
Compound_8869	CCCCC(COC(=O)N(CC(CCCC)CC)CCS(=O)(=O)O)CC	0.44	0.0
Compound_8870	CC(C(=O)O)NC(=O)OCc1ccccc1	0.18	0.0
Compound_8871	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.11	0.0
Compound_8872	C=CN1CCOC1=O	0.21	0.0
Compound_8873	C=COCCCCOC(=O)NCCCCCCNC(=O)OCCCCOC=C	0.13	0.0
Compound_8874	O=C(OC(C)(C)C)NC(C(=O)O)CC(=O)O	0.16	0.0
Compound_8875	O=C(OC(C)(C)C)NC(C(=O)O)Cc1[nH]cnc1	0.21	0.0
Compound_8876	SCC(C(=O)O)NC(=O)OC(C)(C)C	0.1	0.0
Compound_8877	OC1CCN(CC1)C(=O)OC(C)(C)C	0.12	0.0
Compound_8878	O=C(N1CCCC1)OC(C)(C)C	0.28	0.0
Compound_8879	CC(OC(=O)Nc1cccc(c1)Cl)C	0.9	1.0
Compound_8880	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NCC1(C)CC(NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CC(C1)(C)C	0.1	0.0
Compound_8881	O=C1NC(=O)C(O1)(C)C	0.38	0.0
Compound_8882	O=C=Nc1cc(ccc1C)NC(=O)OCC(COC(=O)Nc1ccc(c(c1)N=C=O)C)(COC(=O)Nc1ccc(c(c1)N=C=O)C)CC	0.23	0.0
Compound_8883	O=C=NCCCCCCNC(=O)OCC(COC(=O)NCCCCCCN=C=O)(COC(=O)NCCCCCCN=C=O)CC	0.16	0.0
Compound_8884	CCCCC(COC(=O)NCCCCCCNC(=O)OCC(CCCC)CC)CC	0.18	0.0
Compound_8885	CCCCNC(=O)OCC#CI	0.3	0.0
Compound_8886	CCCCOC(=O)NC(=O)C=C	0.36	0.0
Compound_8887	CCCCOC(=O)N	0.4	0.0
Compound_8888	CCOC(=O)NCCC[Si](OCC)(OCC)OCC	0.31	0.0
Compound_8889	CCOC(=O)N	0.75	1.0
Compound_8890	O=C1OCCN1C	0.38	0.0
Compound_8891	COC(=O)NC#N	0.7	1.0
Compound_8892	COC(=O)Nc1cccc2c1cc(O)cc2	0.48	0.0
Compound_8893	COC(=O)NCCC[Si](OC)(OC)OC	0.3	0.0
Compound_8894	COC(=O)NS(=O)(=O)c1ccc(cc1)N	0.3	0.0
Compound_8895	COC(=O)N	0.86	1.0
Compound_8896	COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC	0.43	0.0
Compound_8897	O=C1NCCO1	0.25	0.0
Compound_8898	COc1cc(OC)cc(c1)N	0.69	1.0
Compound_8899	COc1cccc(c1)N	0.77	1.0
Compound_8900	CCOC(=O)C=CC(=O)c1ccc(c(c1)OC)OC	0.53	1.0
Compound_8901	CCOc1ccc2c(c1)SC(=C1Sc3c(C1=O)ccc(c3)OCC)C2=O	0.49	0.0
Compound_8902	CC(OC(=O)C)CCc1ccc2c(c1)OCO2	0.76	1.0
Compound_8903	CCCc1ccc(cc1)OC	0.65	1.0
Compound_8904	CCCc1ccc2c(c1)OCC(=O)CO2	0.71	1.0
Compound_8905	COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1	0.23	0.0
Compound_8906	COc1ccc(cc1)CC(C=Nc1ccccc1C(=O)OC)C	0.43	0.0
Compound_8907	COC(=O)c1ccccc1N=CC(Cc1ccc2c(c1)OCO2)C	0.39	0.0
Compound_8908	COC(=O)c1ccccc1N=CC(Cc1ccc2c(c1)OCO2)C	0.39	0.0
Compound_8909	COc1cc(ccc1OC)CC(=O)C	0.65	1.0
Compound_8910	COc1ccc(cc1)CC(=O)C	0.78	1.0
Compound_8911	COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C	0.39	0.0
Compound_8912	CC(=O)Oc1cc(C)c(c2c1cccc2)OC(=O)C	0.65	1.0
Compound_8913	CC1(C)CC2(CC(C)(C)c3c(O2)cc(c(c3)O)C)Oc2c1cc(O)c(c2)C	0.66	1.0
Compound_8914	CCC(c1cc(OCCCCCCCC)c(cc1OCCCCCCCC)C(CC)(C)C)(C)C	0.55	1.0
Compound_8915	CCCCOc1cc(c(cc1C(C)(C)C)OCCCC)C(C)(C)C	0.72	1.0
Compound_8916	COc1ccc(c(c1)C(C)(C)C)OC	0.91	1.0
Compound_8917	COc1cc(C(=O)O)c(cc1OC)OC	0.64	1.0
Compound_8918	COc1cc(C=O)c(cc1OC)OC	0.64	1.0
Compound_8919	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.54	1.0
Compound_8920	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.59	1.0
Compound_8921	C=CCOCC(COCC=C)(COCC=C)COCC=C	0.63	1.0
Compound_8922	CC(=O)OCC(COC(=O)C)(COC(=O)C)COC(=O)C	0.63	1.0
Compound_8923	C=CC(=O)OCC(C1(OC(=O)C=C)OC(=N1)O)(Cc1cccc(c1C)CC(C1(OC(=O)C=C)OC(=N1)O)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C	0.24	0.0
Compound_8924	CCC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.69	1.0
Compound_8925	CCC(=O)OCC(COC(=O)C=C)(COC(=O)CC)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.66	1.0
Compound_8926	CCC(=O)OCC(COC(=O)CC)(COC(=O)CC)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.57	1.0
Compound_8927	CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C	0.49	0.0
Compound_8928	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC	0.46	0.0
Compound_8929	CCC(COC(=O)CC(=O)C)(COC(=O)CC(=O)C)COC(=O)CC(=O)C	0.57	1.0
Compound_8930	CCC(COC(=O)CCN1CC1)(COC(=O)CCN1CC1)COC(=O)CCN1CC1	0.15	0.0
Compound_8931	SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)CC	0.64	1.0
Compound_8932	C=CC(=O)OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)CC)CC	0.58	1.0
Compound_8933	C=CCOCC(COC(=O)C)(COC(=O)C)CC	0.54	1.0
Compound_8934	C=CCOCC(COC(=O)C=CC(=O)OCC(COCC=C)(COCC=C)CC)(COCC=C)CC	0.58	1.0
Compound_8935	C=CCOCC(COCC=C)(COCC=C)CC	0.69	1.0
Compound_8936	CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)CC	0.61	1.0
Compound_8937	CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC	0.61	1.0
Compound_8938	CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)CC)CC	0.57	1.0
Compound_8939	CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC	0.57	1.0
Compound_8940	CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)CC	0.43	0.0
Compound_8941	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO	0.5	0.0
Compound_8942	OCC(COC(=O)CCN1CC1)(COC(=O)CCN1CC1)COC(=O)CCN1CC1	0.18	0.0
Compound_8943	C=CC(=O)OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CO	0.52	1.0
Compound_8944	C=CCOCC(COCC=C)(COCC=C)CO	0.65	1.0
Compound_8945	SCC(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS	0.65	1.0
Compound_8946	SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS	0.67	1.0
Compound_8947	OC(=NC(C(OP(=O)(OCc1ccccc1)O)C)C(=O)O)OCC1c2ccccc2c2c1cccc2	0.33	0.0
Compound_8948	OC(=NC(C(=O)O)Cc1ccc(cc1)OP(=O)(O)O)OCC1c2ccccc2c2c1cccc2	0.29	0.0
Compound_8949	OCC1OC(OC2OC=C(C(C2=CC)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)C(C(C1O)O)O	0.3	0.0
Compound_8950	OC(=O)C1CC(CN1C(=O)OCC1c2ccccc2c2c1cccc2)OC(C)(C)C	0.16	0.0
Compound_8951	OCC(c1ccccc1)C(=O)OC1CC2N(C(C1)C1C2O1)C	0.04	0.0
Compound_8952	C1COC(O1)Cc1ccccc1	0.79	1.0
Compound_8953	C1CCC(CC1)OCCc1ccccc1	0.8	1.0
Compound_8954	c1cc(CC2CO2)c(c(c1)CC1CO1)OCC1CO1	0.62	1.0
Compound_8955	CC(CCOC(=O)Cc1ccccc1)CCCC(=C)C	0.8	1.0
Compound_8956	O=C(NC(C(OC(C)(C)C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2	0.16	0.0
Compound_8957	CC1OCC(C1)(C)c1ccccc1	0.71	1.0
Compound_8958	CC1OCC(C1)(C)c1ccccc1	0.71	1.0
Compound_8959	CC1OCC(C1)(C)c1ccccc1	0.71	1.0
Compound_8960	O=C(NC(C(=O)O)C)OCC1c2ccccc2c2c1cccc2	0.22	0.0
Compound_8961	CC=C(C(=O)OCCc1ccccc1)C	0.79	1.0
Compound_8962	CC=CC(=O)OCCc1ccccc1	0.85	1.0
Compound_8963	CC=CC(=O)OCCc1ccccc1	0.85	1.0
Compound_8964	C=CCOC(=O)Cc1ccccc1	0.85	1.0
Compound_8965	C=CCOCCc1ccccc1	0.75	1.0
Compound_8966	CC(=C)C(=O)OCCc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.36	0.0
Compound_8967	CC(=C)C(=O)OCCc1ccccc1	0.8	1.0
Compound_8968	CC(=O)NCSCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2	0.13	0.0
Compound_8969	CC(=O)OC(Cc1ccccc1)(C)C	0.7	1.0
Compound_8970	OC(c1ccccc1)COC(=O)C	0.82	1.0
Compound_8971	CC(=O)OC(c1ccccc1)COC(=O)C	0.63	1.0
Compound_8972	CC(=O)OCCc1ccc(cc1)C	0.87	1.0
Compound_8973	CC(=O)OCCc1ccccc1	0.9	1.0
Compound_8974	O=C(C(C)(C)C)OCCc1ccccc1	0.75	1.0
Compound_8975	O=C(OCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CCSCCC(=O)OCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.65	1.0
Compound_8976	O=C(NC(C(=O)O)CC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2	0.13	0.0
Compound_8977	O=C(NC(C(=O)O)CCC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2	0.07	0.0
Compound_8978	O=C(NC(C(=O)O)Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2	0.06	0.0
Compound_8979	O=C(NC(C(=O)O)CCCCNC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2	0.0	0.0
Compound_8980	O=C(NC(C(=O)O)COC(C)(C)C)OCC1c2ccccc2c2c1cccc2	0.1	0.0
Compound_8981	O=C(NC(C(=O)O)Cc1ccc(cc1)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2	0.13	0.0
Compound_8982	O=COC(Cc1ccccc1)(C)C	0.85	1.0
Compound_8983	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C	0.91	1.0
Compound_8984	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C	0.91	1.0
Compound_8985	O=C(NC(C(=O)O)C(C)C)OCC1c2ccccc2c2c1cccc2	0.17	0.0
Compound_8986	O=C(C=C(C)C)OCCc1ccccc1	0.8	1.0
Compound_8987	O=C(Cc1ccccc1)OCC=C(CCC=C(C)C)C	0.86	1.0
Compound_8988	C=CC(OC(=O)Cc1ccccc1)(CCC=C(C)C)C	0.64	1.0
Compound_8989	CC(=CCOC(Cc1ccccc1)OCC=C(CCC=C(C)C)C)CCC=C(C)C	0.8	1.0
Compound_8990	CC(C(=O)OC(Cc1ccccc1)(C)C)C	0.79	1.0
Compound_8991	O=C(C(C)C)OCCc1ccccc1	0.87	1.0
Compound_8992	CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C	0.12	0.0
Compound_8993	CC(CC(=O)OCCc1ccccc1)C	0.81	1.0
Compound_8994	CC(CCOC(=O)Cc1ccccc1)C	0.83	1.0
Compound_8995	CC(CCOC(Cc1ccccc1)OCCC(C)C)C	0.81	1.0
Compound_8996	CC(CCOCCc1ccccc1)C	0.72	1.0
Compound_8997	CC(COC(=O)Cc1ccccc1)C	0.77	1.0
Compound_8998	CC(COC(C(=O)c1ccccc1)c1ccccc1)C	0.78	1.0
Compound_8999	CC(COC(Cc1ccccc1)OCC(C)C)C	0.71	1.0
Compound_9000	CC(OC(C(=O)c1ccccc1)c1ccccc1)C	0.75	1.0
Compound_9001	CC(OCCc1ccccc1)C	0.82	1.0
Compound_9002	CC1COC(O1)C(c1ccccc1)C	0.74	1.0
Compound_9003	CC(c1ccccc1)C1OCCO1	0.83	1.0
Compound_9004	CC(CCC=C(C)C)CCOC(=O)Cc1ccccc1	0.86	1.0
Compound_9005	CC(CCC=C(C)C)CCOC(Cc1ccccc1)OCCC(CCC=C(C)C)C	0.8	1.0
Compound_9006	CC(CCC=C(C)C)CCOC(Cc1ccccc1)OCCc1ccccc1	0.77	1.0
Compound_9007	CC(c1ccccc1)COC(=O)C	0.84	1.0
Compound_9008	CC(OCCc1ccccc1)OCCc1ccccc1	0.86	1.0
Compound_9009	CCC(C(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C	0.19	0.0
Compound_9010	CCC=CCCOC(=O)Cc1ccccc1	0.81	1.0
Compound_9011	CC1(COC(OC1)(C)C)c1ccccc1	0.59	1.0
Compound_9012	OC(COc1ccc(cc1)C)OCCc1ccccc1	0.65	1.0
Compound_9013	CC1OC(Cc2ccccc2)OC(C1)(C)C	0.52	1.0
Compound_9014	CC1CCOC(O1)Cc1ccccc1	0.71	1.0
Compound_9015	CC1COC(O1)Cc1ccccc1	0.74	1.0
Compound_9016	CC1OCC(O1)c1ccccc1	0.74	1.0
Compound_9017	CCC(=O)OC(Cc1ccccc1)(C)C	0.66	1.0
Compound_9018	CCC(=O)OCCc1ccccc1	0.89	1.0
Compound_9019	CCC(C(=O)OCCc1ccccc1)C	0.81	1.0
Compound_9020	CCC(C(=O)OCCc1ccccc1)CC	0.89	1.0
Compound_9021	CCCC(=O)OC(Cc1ccccc1)(C)C	0.69	1.0
Compound_9022	CCCC(=O)OCCc1ccccc1	0.9	1.0
Compound_9023	CCCCCC(=O)OCCc1ccccc1	0.87	1.0
Compound_9024	CCCCCCCC(=O)OCCc1ccccc1	0.87	1.0
Compound_9025	CCCCCCOC(=O)Cc1ccccc1	0.87	1.0
Compound_9026	CCCCCOC(=O)Cc1ccccc1	0.87	1.0
Compound_9027	CCCCCOCCc1ccccc1	0.84	1.0
Compound_9028	CCCCOC(=O)Cc1ccccc1	0.91	1.0
Compound_9029	CCCCOC(C(=O)c1ccccc1)c1ccccc1	0.79	1.0
Compound_9030	CCCCOCCc1ccccc1	0.84	1.0
Compound_9031	CCCOC(=O)Cc1ccccc1	0.9	1.0
Compound_9032	CCCOC(OCCc1ccccc1)C	0.8	1.0
Compound_9033	CCOC(=O)C(c1ccc(cc1)OC)C	0.72	1.0
Compound_9034	CCC(c1ccccc1)(C(=O)OCC)C(=O)OCC	0.56	1.0
Compound_9035	CCOC(=O)Cc1ccc(c(c1)OC)OC	0.55	1.0
Compound_9036	CCOC(=O)Cc1ccccc1	0.88	1.0
Compound_9037	CCOC(C(=O)c1ccccc1)c1ccccc1	0.78	1.0
Compound_9038	CCOC(OCCc1ccccc1)C	0.84	1.0
Compound_9039	CCOC(Cc1ccccc1)OCC	0.78	1.0
Compound_9040	CCOC(C(=O)c1ccccc1)(c1ccccc1)OCC	0.71	1.0
Compound_9041	CCOC(C(=O)c1ccccc1)OCC	0.64	1.0
Compound_9042	CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C	0.29	0.0
Compound_9043	CCOCCc1ccccc1	0.8	1.0
Compound_9044	ClC(=O)OCC1c2ccccc2c2c1cccc2	0.79	1.0
Compound_9045	CON=C(c1ccccc1COc1ccccc1C)C(=O)OC	0.56	1.0
Compound_9046	COC(=O)C(=O)c1ccccc1	0.57	1.0
Compound_9047	COC(=O)Cc1ccc(cc1)C(C)(C)C	0.84	1.0
Compound_9048	COC(=O)Cc1ccccc1	0.85	1.0
Compound_9049	COC(C(=O)c1ccccc1)c1ccccc1	0.76	1.0
Compound_9050	COC(Cc1ccc(cc1)C)OC	0.76	1.0
Compound_9051	COC(Cc1ccccc1)OC	0.8	1.0
Compound_9052	COC(C(=O)c1ccccc1)(c1ccccc1)OC	0.68	1.0
Compound_9053	COC(C(c1ccccc1)C)OC	0.81	1.0
Compound_9054	COC1=C(CC(OC(=O)Oc2ccc(cc2)O)C)c2c3c(C1=O)c(O)cc(c3c1c3c2C(=C(OC)C(=O)c3c(cc1OC)O)CC(OC(=O)c1ccccc1)C)OC	0.56	1.0
Compound_9055	COc1ccc(cc1)COC(=O)Cc1ccccc1	0.74	1.0
Compound_9056	COCCc1ccc(cc1)O	0.8	1.0
Compound_9057	COCCc1ccccc1	0.72	1.0
Compound_9058	NC(=O)CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2	0.15	0.0
Compound_9059	NC(=O)CCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2	0.09	0.0
Compound_9060	NC(=O)NCCCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2	0.05	0.0
Compound_9061	O=C(c1ccccc1N)OCCc1ccccc1	0.37	0.0
Compound_9062	O=C(Cc1ccccc1)OCC(c1ccccc1)OC(=O)Cc1ccccc1	0.71	1.0
Compound_9063	O=C(Cc1ccccc1)OCC=Cc1ccccc1	0.79	1.0
Compound_9064	O=C(Cc1ccccc1)OCc1ccccc1	0.84	1.0
Compound_9065	O=C(Cc1ccccc1)OCCc1ccccc1	0.83	1.0
Compound_9066	O=C(C=Cc1ccccc1)OCCc1ccccc1	0.8	1.0
Compound_9067	O=C(c1ccccc1)OCCc1ccccc1	0.84	1.0
Compound_9068	O=C1OCC(N=N1)c1ccccc1	0.25	0.0
Compound_9069	O=C1OCCc2c1cccc2	0.77	1.0
Compound_9070	O=COCCc1ccccc1	0.88	1.0
Compound_9071	OC(=O)C1CCCN1C(=O)OCC1c2ccccc2c2c1cccc2	0.1	0.0
Compound_9072	O=C(NC(C(=O)O)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2	0.19	0.0
Compound_9073	O=C(NC(C(=O)O)Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2	0.13	0.0
Compound_9074	O=C(NC(C(=O)O)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2	0.11	0.0
Compound_9075	O=C(OCC1c2ccccc2c2c1cccc2)NCCCCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2	0.03	0.0
Compound_9076	O=C(NC(C(=O)O)COP(=O)(OCc1ccccc1)O)OCC1c2ccccc2c2c1cccc2	0.28	0.0
Compound_9077	O=C(NC(C(=O)O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2	0.11	0.0
Compound_9078	OC(=O)CNC(=O)OCC1c2ccccc2c2c1cccc2	0.06	0.0
Compound_9079	O=C(c1ccccc1O)OCCc1ccccc1	0.95	1.0
Compound_9080	O=C(C=Cc1ccc(c(c1)O)O)OCCc1ccccc1	0.78	1.0
Compound_9081	Oc1cc(O)c2c(c1)OC(C(C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O	0.59	1.0
Compound_9082	OC1COC(OC1)Cc1ccccc1	0.48	0.0
Compound_9083	OCC(=O)OCCc1ccccc1	0.74	1.0
Compound_9084	OCC1COC(O1)Cc1ccccc1	0.62	1.0
Compound_9085	C1COC(O1)CP(c1ccccc1)(c1ccccc1)c1ccccc1	0.78	1.0
Compound_9086	OC(C[N+](C)(C)C)COC(=O)C(=C)C	0.22	0.0
Compound_9087	OCC(C1OC(=O)C(=O)C1=O)O	0.33	0.0
Compound_9088	OCC(C1OC(=O)C(=O)C1O)O	0.46	0.0
Compound_9089	OCC(C1OC(=O)C(=O)C1O)O	0.46	0.0
Compound_9090	OCC(C1OC(=O)C(=O)C1O)O	0.46	0.0
Compound_9091	OCC(C1OC(=O)C(=O)C1O)O	0.46	0.0
Compound_9092	OCC(C1OC(=O)C(=O)C1O)O	0.46	0.0
Compound_9093	OC1C2OP(=O)(O)OCC2OC1n1c(Cl)nc2c1ncnc2N	0.03	0.0
Compound_9094	OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1[nH]c(=N)nc2O	0.11	0.0
Compound_9095	OCC(C1OC(OC2C1OC(OC2)c1ccc(c(c1)C)C)c1ccc(c(c1)C)C)O	0.34	0.0
Compound_9096	OCC(C1OC(OC2C1OC(OC2)c1ccc(cc1)C)c1ccc(cc1)C)O	0.33	0.0
Compound_9097	OCC(C1OC(OC2C1OC(OC2)c1ccc(cc1)Cl)c1ccc(cc1)Cl)O	0.32	0.0
Compound_9098	OCC(C1OC(=C(C1=O)OS(=O)(=O)O)O)O	0.31	0.0
Compound_9099	SCCN=C(CCN=C(C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O)O)O	0.08	0.0
Compound_9100	N#N=C(S(=O)(=O)C1CCCC2(C1)OCCO2)S(=O)(=O)C1CCCC2(C1)OCCO2	0.35	0.0
Compound_9101	OC1C2OP(=O)(O)OCC2OC1n1cnc2c1[nH]c(N)nc2=O	0.05	0.0
Compound_9102	OC1C2OP(=O)(O)OCC2OC1n1c(Br)nc2c1[nH]c(N)nc2=O	0.04	0.0
Compound_9103	OC1C(O)C(OC1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OCC1OC(C(C1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O	0.04	0.0
Compound_9104	OC(=O)COC(C(=O)O)CC(=O)O	0.27	0.0
Compound_9105	OC(=O)COC(C(=O)O)CC(=O)O	0.27	0.0
Compound_9106	OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N	0.08	0.0
Compound_9107	OC1C(O)C(OC1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O	0.11	0.0
Compound_9108	OC1C(O)C(OC1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O	0.09	0.0
Compound_9109	OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O	0.26	0.0
Compound_9110	OC(CS(=O)(=O)O)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.57	1.0
Compound_9111	CCCCC(COCC(OS(=O)(=O)O)COCC(CCCC)CC)CC	0.53	1.0
Compound_9112	CCCCOCCOCCC(=O)O	0.63	1.0
Compound_9113	OC1C2OP(=O)(O)OCC2OC1n1c(Br)nc2c1ncnc2N	0.01	0.0
Compound_9114	C=CCOCC(CS(=O)(=O)O)O	0.41	0.0
Compound_9115	O=N(=O)c1cccc(c1)S(=O)(=O)OCC1CO1	0.64	1.0
Compound_9116	BrC(c1ccccc1OCC1CO1)Br	0.7	1.0
Compound_9117	Brc1cc(Br)cc(c1OCC1OC1)Br	0.7	1.0
Compound_9118	Brc1ccc(c(c1)Br)OCC1CO1	0.7	1.0
Compound_9119	C=CC(=O)OCCOc1c(Br)cc(cc1Br)Br	0.68	1.0
Compound_9120	BrCC(=O)OCCOC(=O)CBr	0.74	1.0
Compound_9121	BrCc1ccccc1OCC1CO1	0.71	1.0
Compound_9122	C(CCOCC1OC1)CCCOCC1OC1	0.75	1.0
Compound_9123	C(COCC1OC1)CCOCC1OC1	0.75	1.0
Compound_9124	O(CC1OC1)CCOc1ccccc1	0.77	1.0
Compound_9125	O(COCCOc1ccccc1)CCOc1ccccc1	0.78	1.0
Compound_9126	O1CC1COc1cccc(c1)OCC1OC1	0.65	1.0
Compound_9127	O1CC1COc1ccccc1	0.75	1.0
Compound_9128	O(CC(COCC1OC1)(COCC1OC1)COCC1OC1)CC1OC1	0.62	1.0
Compound_9129	O(CC1OC1)CC1CCC(CC1)COCC1OC1	0.73	1.0
Compound_9130	O(CC1OC1)CC1OC1	0.68	1.0
Compound_9131	OCCOCC(C[N+](C)(C)C)O	0.29	0.0
Compound_9132	OCC(COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)O	0.47	0.0
Compound_9133	C[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(CCCOCC1OC1)C)CCCOCC1OC1	0.74	1.0
Compound_9134	C[Si](O[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C	0.74	1.0
Compound_9135	C[SiH]1O[SiH](C)O[SiH](O[Si](O1)(C)CCCOCC1OC1)C	0.73	1.0
Compound_9136	C=CC(=O)OCC1CCCO1	0.68	1.0
Compound_9137	C=CC(=O)OCCCCCC(=O)OCC1CCCO1	0.67	1.0
Compound_9138	C=CC(=O)OCCOC(=O)C=C	0.64	1.0
Compound_9139	C=CC(=O)OCCOc1ccccc1	0.79	1.0
Compound_9140	C=CC(=O)OCCOP(OCCOC(=O)C=C)OCCOC(=O)C=C	0.72	1.0
Compound_9141	C=CCOC(=O)COc1ccccc1	0.73	1.0
Compound_9142	C=CCOC(=O)COC1CCCCC1	0.76	1.0
Compound_9143	C=CCOC(=O)OCCOCCOC(=O)OCC=C	0.71	1.0
Compound_9144	C=CCOC(C(OCC=C)OCC=C)OCC=C	0.57	1.0
Compound_9145	C=CCOCC1CO1	0.62	1.0
Compound_9146	C=COCCOCCOC=C	0.76	1.0
Compound_9147	O1CCOc2ccccc2OCCOCCOc2c(OCC1)cccc2	0.83	1.0
Compound_9148	O1CCOCC1	0.91	1.0
Compound_9149	C1OCCO1	0.86	1.0
Compound_9150	CC(=C)C(=O)OCC(CCl)O	0.59	1.0
Compound_9151	CC(=C)C(=O)OCC(CO)O	0.29	0.0
Compound_9152	OC(COC(=O)C(=C)C)COC(=O)C(=C)C	0.48	0.0
Compound_9153	C=CC(=O)OCC(COC(=O)C(=C)C)O	0.5	0.0
Compound_9154	OC(COC(=O)C(=C)C)COc1ccccc1	0.6	1.0
Compound_9155	CC(=C)C(=O)OCC1CCCO1	0.68	1.0
Compound_9156	CC(=C)C(=O)OCC1CO1	0.61	1.0
Compound_9157	CC(=C)C(=O)OCC1COC(=O)O1	0.5	0.0
Compound_9158	CC(=C)C(=O)OCCO	0.58	1.0
Compound_9159	O=C(C(=C)C)OCCOP(=O)=O	0.69	1.0
Compound_9160	O=C(C(=C)C)OCCOC(=O)C(=C)C	0.7	1.0
Compound_9161	O=C(C=CC(=O)O)OCCOC(=O)C(=C)C	0.72	1.0
Compound_9162	OC(=O)CCC(=O)OCCOC(=O)C(=C)C	0.48	0.0
Compound_9163	O=C(Nc1ccccc1)OCCOC(=O)C(=C)C	0.34	0.0
Compound_9164	O=C(OCCOC(=O)C(=C)C)NCCCCCCn1c(=O)n(CCCCCCNC(=O)OCCOC(=O)C(=C)C)c(=O)n(c1=O)CCCCCCNC(=O)OCCOC(=O)C(=C)C	0.06	0.0
Compound_9165	O=C(OCCOC(=O)C(=C)C)NCCCCCCNC(=O)OCCOC(=O)C(=C)C	0.14	0.0
Compound_9166	O=C(C(=C)C)OCCOc1ccccc1	0.71	1.0
Compound_9167	O=C(C(=C)C)OCCOP(=O)(OCCOC(=O)C(=C)C)O	0.62	1.0
Compound_9168	O=C(C(=C)C)OCCOP(=O)(O)O	0.54	1.0
Compound_9169	O=C(C(=C)C)OCCOP1(=NP(=NP(=N1)(OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C)(OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C	0.38	0.0
Compound_9170	CC(=O)CC(=O)OCCOC(=O)C(=C)C	0.63	1.0
Compound_9171	O=CC(C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	0.45	0.0
Compound_9172	CC(=O)OC(COC(=O)C)COC(=O)C	0.43	0.0
Compound_9173	CC(=O)OCC(CO)O	0.21	0.0
Compound_9174	OC(COC(=O)C)COc1ccccc1	0.69	1.0
Compound_9175	CC(=O)OCC1CCCO1	0.78	1.0
Compound_9176	CC(=O)OCCO	0.77	1.0
Compound_9177	CC(=O)OCCOC(=O)C	0.69	1.0
Compound_9178	CC(=O)OCCOc1ccc(cc1)C	0.81	1.0
Compound_9179	OCCOCCNC(C)(C)C	0.39	0.0
Compound_9180	OCCOC(C)(C)C	0.74	1.0
Compound_9181	CC(COCC1OC1)(COCC1OC1)C	0.64	1.0
Compound_9182	CC(C(=O)OCCOc1ccccc1)C	0.68	1.0
Compound_9183	OCCOCC(C(C(C)C)O)(C)C	0.46	0.0
Compound_9184	CC(CCOC(=O)C(O)C)C	0.66	1.0
Compound_9185	C=CCOC(=O)COCCC(C)C	0.81	1.0
Compound_9186	CC(COC(=O)C(O)C)C	0.57	1.0
Compound_9187	OC(COCC(C)C)COCC(C)C	0.54	1.0
Compound_9188	OCCOCC(C)C	0.84	1.0
Compound_9189	OCCOC(C)C	0.88	1.0
Compound_9190	O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C	0.12	0.0
Compound_9191	C=CC(=O)OCC(OC(=Nc1ccc(c(c1)N=C(OC(COC(=O)C=C)C)O)C)O)C	0.31	0.0
Compound_9192	CC(=O)OCC(OC(=O)C)C	0.55	1.0
Compound_9193	CC(OP(Oc1ccccc1)Oc1ccccc1)COCC(OP(Oc1ccccc1)Oc1ccccc1)C	0.61	1.0
Compound_9194	CC(COCC1OC1)(COCC1OC1)COCC1OC1	0.65	1.0
Compound_9195	CC(C(=O)OCc1ccccc1)O	0.7	1.0
Compound_9196	CC(COC(=O)C(=C)C)O	0.65	1.0
Compound_9197	CC(COC(=O)C=C)O	0.69	1.0
Compound_9198	CC(COC(=O)CC(=O)C)O	0.53	1.0
Compound_9199	OCC#CCOCC(O)C	0.79	1.0
Compound_9200	CC(COCC#CCOCC(O)C)O	0.73	1.0
Compound_9201	CC(COCC(O)C)O	0.77	1.0
Compound_9202	CC(COCC(OP(OC(COCC(OP(OC(COCC(O)C)C)OC(COCC(O)C)C)C)C)OC(COCC(OP(OC(COCC(O)C)C)OC(COCC(O)C)C)C)C)C)O	0.66	1.0
Compound_9203	CC[Si](OCCOC)(OCCOC)OCCOC	0.74	1.0
Compound_9204	CCC=CCCOC(=O)C(O)C	0.61	1.0
Compound_9205	CC=CCOC(=O)COCCC(C)C	0.78	1.0
Compound_9206	C=CC(=O)OCCOC(=O)NCC1(C)CC(NC(=O)OCCOC(=O)C=C)CC(C1)(C)C	0.09	0.0
Compound_9207	OC1C(=O)OCC1(C)C	0.57	1.0
Compound_9208	OC1C(=O)OCC1(C)C	0.57	1.0
Compound_9209	OCCNc1cc(C)c(c(n1)NCCCOCCOc1ccccc1)C#N	0.04	0.0
Compound_9210	Cc1cc(OCC2CO2)cc(c1)OCC1CO1	0.65	1.0
Compound_9211	Cc1cccc(c1)OCC1CO1	0.71	1.0
Compound_9212	O=C(C(=O)OCc1ccc(cc1)C)OCc1ccc(cc1)C	0.5	0.0
Compound_9213	C=CC(=O)OCCOC(=O)Nc1ccc(c(c1)NC(=O)OCCOC(=O)C=C)C	0.15	0.0
Compound_9214	Cc1ccccc1OCC1CO1	0.65	1.0
Compound_9215	OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O	0.0	0.0
Compound_9216	CC1COC(=O)O1	0.54	1.0
Compound_9217	CC1OCC(O1)C	0.77	1.0
Compound_9218	CC1COC(O1)C=C(CCC=C(C)C)C	0.64	1.0
Compound_9219	CC1COC(O1)c1ccccc1	0.78	1.0
Compound_9220	CC1COCO1	0.82	1.0
Compound_9221	CCC(=O)OCC(=O)OC(C1CCCC(C1)(C)C)C	0.5	0.0
Compound_9222	CCC(=O)OCC1CCCO1	0.78	1.0
Compound_9223	CCC(=O)OCCOc1ccccc1	0.84	1.0
Compound_9224	CCC(OC(=O)C(=O)OC(CC)(C)C)(C)C	0.59	1.0
Compound_9225	CC(CC)COCC(=O)OCC=C	0.67	1.0
Compound_9226	OCCOCC(CO)(CO)CC	0.66	1.0
Compound_9227	CCC(COCC1CO1)(COCC1CO1)COCC1CO1	0.72	1.0
Compound_9228	C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)CC	0.58	1.0
Compound_9229	CCC(COC(=O)C(=C)C)O	0.66	1.0
Compound_9230	CCC(COC(=O)C=C)O	0.71	1.0
Compound_9231	CCCC=CC1OCC(O1)C	0.84	1.0
Compound_9232	CCc1ccc(cc1)C1OC2COC(OC2C(O1)C(CO)O)c1ccc(cc1)CC	0.35	0.0
Compound_9233	CCC1COC(=O)O1	0.62	1.0
Compound_9234	CCCCC(C(=O)OCC(O)C)CC	0.68	1.0
Compound_9235	CCCCC(C(=O)OCCOC(=O)C(CCCC)CC)CC	0.33	0.0
Compound_9236	CCCCC(C(=O)OCCOc1ccc(c(c1)O)c1nc(nc(n1)c1ccccc1)c1ccccc1)CC	0.3	0.0
Compound_9237	CCCCC(C1OCCO1)CC	0.85	1.0
Compound_9238	CCCCC(COC(=O)COc1ccc(cc1C)Cl)CC	0.81	1.0
Compound_9239	CCCCC(COCC(CO)O)CC	0.48	0.0
Compound_9240	CCCCC(COCC(COc1ccc(c(c1)O)c1nc(nc(n1)c1ccc(cc1C)C)c1ccc(cc1C)C)O)CC	0.25	0.0
Compound_9241	CCCCC(COCC1CO1)CC	0.85	1.0
Compound_9242	CCCCC(COCCO)CC	0.92	1.0
Compound_9243	CCCCC(OCC(=O)O)CC	0.8	1.0
Compound_9244	CCCCc1ccccc1OCC1CO1	0.78	1.0
Compound_9245	CCCCCCC1OCCO1	0.87	1.0
Compound_9246	CCCCCCOCCO	0.99	1.0
Compound_9247	CCCCCOC(=O)C(C(C(=O)OCCCCC)O)O	0.42	0.0
Compound_9248	CCCCNC(=O)OCCOC(=O)C=C	0.2	0.0
Compound_9249	CCCCOC(=O)C(=O)OCCCC	0.78	1.0
Compound_9250	CCCCOC(=O)C(O)C	0.76	1.0
Compound_9251	CCCCOC(=O)CC(C(=O)OCCCC)O	0.43	0.0
Compound_9252	CCCCOC(=O)CO	0.86	1.0
Compound_9253	CCCCOCC(O)C	0.8	1.0
Compound_9254	CCCCOCC(OC(=O)C)C	0.67	1.0
Compound_9255	CCCCOCC(COC(=O)C=C)O	0.6	1.0
Compound_9256	CCCCOCC1CO1	0.86	1.0
Compound_9257	CCCCOCCO	1.0	1.0
Compound_9258	CCCCOCCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC	0.88	1.0
Compound_9259	CCCCOCCOC(=O)C(=C)C	0.82	1.0
Compound_9260	CCCCOCCOC(=O)C=C	0.8	1.0
Compound_9261	CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC	0.8	1.0
Compound_9262	CCCCOCCOC(=O)C	0.86	1.0
Compound_9263	CCCCOCCOCCC#N	0.69	1.0
Compound_9264	CCCCOCCOCCCC	0.93	1.0
Compound_9265	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	0.95	1.0
Compound_9266	CCCCOCCOP(=O)(O)O	0.88	1.0
Compound_9267	CCCOC(=O)C(O)C	0.75	1.0
Compound_9268	CCCOCC(O)C	0.83	1.0
Compound_9269	CCCOCC1CO1	0.82	1.0
Compound_9270	CCCOCCO	0.98	1.0
Compound_9271	CCO[Si](CCCOCC1CO1)(C)C	0.78	1.0
Compound_9272	CCO[Si](OCC)(CCCOCC1CO1)C	0.72	1.0
Compound_9273	CCO[Si](OCC)(OCC)CCCOCC1CO1	0.64	1.0
Compound_9274	CCOC(=O)C(C(C(=O)OCC)O)O	0.27	0.0
Compound_9275	CCOC(=O)C(CCc1ccccc1)O	0.48	0.0
Compound_9276	CCOC(=O)C(=O)OCC	0.37	0.0
Compound_9277	CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.16	0.0
Compound_9278	CCOC(=O)C(O)C	0.59	1.0
Compound_9279	CCOC(=O)C(OC(=O)C)C	0.43	0.0
Compound_9280	CCOC(=O)C1CCCO1	0.79	1.0
Compound_9281	CCOC(=O)CC(C(=O)OCC)O	0.4	0.0
Compound_9282	CCOC(=O)CC1(C)OCCO1	0.67	1.0
Compound_9283	CCOC(=O)COc1ccc(cc1)C	0.63	1.0
Compound_9284	CCOC(=O)COc1ccccc1	0.71	1.0
Compound_9285	ClCCOCC(=O)OCC	0.86	1.0
Compound_9286	CCOC(CO)C	0.79	1.0
Compound_9287	CCOC(COC(=O)C)C	0.6	1.0
Compound_9288	CCOC(C(=O)OC)OCC	0.54	1.0
Compound_9289	CCOC(=O)C(OCC)OCC	0.56	1.0
Compound_9290	CCOCC(=O)OCC	0.79	1.0
Compound_9291	CCOCC(=O)OCC=C	0.7	1.0
Compound_9292	CCOCC(O)C	0.81	1.0
Compound_9293	CCOCC(OC(=O)C)C	0.72	1.0
Compound_9294	CCOCC(=O)O	0.72	1.0
Compound_9295	OCCOCC	0.98	1.0
Compound_9296	CCOCCO[Si](OCCOCC)(OCCOCC)OCCOCC	0.79	1.0
Compound_9297	CCOCCOC(=O)C(=C)C#N	0.72	1.0
Compound_9298	CCOCCOC(=O)C(=C)C	0.8	1.0
Compound_9299	CCOCCOC(=O)C	0.92	1.0
Compound_9300	CCOCCOCC	0.96	1.0
Compound_9301	NC(CC(=O)NC1C=CC(OC1C(=O)O)n1ccc(nc1=O)N)CCN(C(=N)N)C	0.08	0.0
Compound_9302	ClC(=O)OCCOCCOC(=O)Cl	0.78	1.0
Compound_9303	O=C(C(=O)OCc1ccc(cc1)Cl)OCc1ccc(cc1)Cl	0.72	1.0
Compound_9304	OCCOCCN(C)C	0.5	0.0
Compound_9305	CN(CCOCCOCCN(C)C)C	0.33	0.0
Compound_9306	CO[Si](CCCOCC1CO1)(OC)C	0.72	1.0
Compound_9307	CO[Si](CCCOCC1CO1)(OC)OC	0.63	1.0
Compound_9308	COC(=O)C(O)C	0.55	1.0
Compound_9309	COC(=O)C(O)C	0.55	1.0
Compound_9310	COC(=O)C(=O)OC	0.34	0.0
Compound_9311	COC(=O)C(O)(C)C	0.63	1.0
Compound_9312	COC(=O)C1CCCO1	0.74	1.0
Compound_9313	COC(=O)CO	0.74	1.0
Compound_9314	CC(OC)CO	0.87	1.0
Compound_9315	COC(COC(=O)C)C	0.7	1.0
Compound_9316	COC(COCC(O)C)C	0.72	1.0
Compound_9317	OCC(c1ccccc1)OC	0.73	1.0
Compound_9318	COC(COc1ccc(cc1)C)OC	0.72	1.0
Compound_9319	COC(COc1ccc2c(c1)cccc2)OC	0.71	1.0
Compound_9320	COC(=O)C(OC)O	0.52	1.0
Compound_9321	COC([SiH2]OC(COCCC[Si](OC)(OC)OC)CNCCC[Si](OC)(OC)OC)OC	0.31	0.0
Compound_9322	COC(=O)C(OC)OC	0.49	0.0
Compound_9323	COc1ccc(cc1)CC1NCC(C1OC(=O)C)O	0.07	0.0
Compound_9324	COc1ccc(cc1)C1OCC(O1)C	0.56	1.0
Compound_9325	COc1ccccc1OCC(COC(=O)N)O	0.01	0.0
Compound_9326	COC1N=C(NC1OC)O	0.16	0.0
Compound_9327	COCC(=O)OC	0.84	1.0
Compound_9328	COCC(O)C	0.92	1.0
Compound_9329	COCC(O[Si](OC(COC)C)(OC(COC)C)OC(COC)C)C	0.64	1.0
Compound_9330	COCC(OC)C	0.78	1.0
Compound_9331	COCC(OC(=O)C=CC(=O)OC(COC)C)C	0.54	1.0
Compound_9332	COCC(OC(=O)C)C	0.69	1.0
Compound_9333	COCC(OC(OCCO)C)C	0.78	1.0
Compound_9334	COCC(=O)O	0.9	1.0
Compound_9335	COCC1CO1	0.7	1.0
Compound_9336	COCCO	0.99	1.0
Compound_9337	COCCO[Si](OCCOC)(OCCOC)C	0.7	1.0
Compound_9338	COCCO[Si](OCCOC)(OCCOC)C=C	0.65	1.0
Compound_9339	COCCO[Si](c1ccccc1)(OCCOC)OCCOC	0.76	1.0
Compound_9340	COCCO[Si](OCCOC)(OCCOC)OCCOC	0.73	1.0
Compound_9341	COCCOC	0.84	1.0
Compound_9342	COCCOC(=O)C=CC(=O)O	0.75	1.0
Compound_9343	COCCOC(=O)C(=C)C#N	0.62	1.0
Compound_9344	COCCOC(=O)C(=C)C	0.77	1.0
Compound_9345	COCCOC(=O)C=C	0.8	1.0
Compound_9346	COCCOC(=O)CC#N	0.63	1.0
Compound_9347	COCCOC(=O)CCCCC(=O)OCCOC	0.81	1.0
Compound_9348	COCCOC(=O)C	0.89	1.0
Compound_9349	COCCOc1ccc(cc1)C	0.7	1.0
Compound_9350	NCCCOCCOC	0.43	0.0
Compound_9351	COCCOCCO	0.99	1.0
Compound_9352	COCCOCCO[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC	0.75	1.0
Compound_9353	COCCOCCOC	0.85	1.0
Compound_9354	COCCOS(=O)(=O)c1ccc(cc1)C	0.68	1.0
Compound_9355	FC(=C(F)F)OC(C(C(F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F)(F)F	0.49	0.0
Compound_9356	FC(C(OCC1OC1)(F)F)F	0.62	1.0
Compound_9357	IC#CCOCCOC(=O)Nc1ccccc1	0.29	0.0
Compound_9358	N#CCCOCCOCCC#N	0.64	1.0
Compound_9359	O=C(C(=C)C)OCCOS(=O)(=O)O	0.51	1.0
Compound_9360	OCc1cn(c(=O)[nH]c1=O)C1OC(C(C1O)O)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N	0.16	0.0
Compound_9361	OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2N	0.02	0.0
Compound_9362	OCC1OC(C(C1O)O)n1cnc2c1[nH]c(N)nc2=O	0.06	0.0
Compound_9363	Nc1nc(=O)c2c([nH]1)n(COCCO)cn2	0.02	0.0
Compound_9364	OCC1OC(C(C1O)O)n1ccc(nc1=O)N	0.72	1.0
Compound_9365	OCC1OC(C(C1O)O)n1ccc(nc1=O)N	0.72	1.0
Compound_9366	OC1C(O)C(OC1n1ccc(nc1=O)N)COP(=O)(O)O	0.37	0.0
Compound_9367	OCC1OC(C(C1O)O)n1cnc2c1ncnc2N	0.02	0.0
Compound_9368	OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O	0.08	0.0
Compound_9369	OCC1OC(CC1O)n1cnc2c1nc(N)[nH]c2=O	0.0	0.0
Compound_9370	NCCCOCCOCCCN	0.39	0.0
Compound_9371	NCCOCCO	0.53	1.0
Compound_9372	NCCOCCO	0.53	1.0
Compound_9373	NCCOCCOCCN	0.46	0.0
Compound_9374	OC1COC(C(C1O)O)O	0.35	0.0
Compound_9375	O=C(C(=O)OCc1ccccc1)OCc1ccccc1	0.7	1.0
Compound_9376	O=C(OOC(=O)OCCOc1ccccc1)OCCOc1ccccc1	0.58	1.0
Compound_9377	O=C1CCC2(CC1)OCCO2	0.67	1.0
Compound_9378	O=C1OCC(=O)OC1	0.57	1.0
Compound_9379	O=C1OCCO1	0.58	1.0
Compound_9380	O=COCCOC=O	0.66	1.0
Compound_9381	O=COCCOCCOC=O	0.76	1.0
Compound_9382	OC(=O)C=CC(=O)OCCOC(=O)C=C	0.64	1.0
Compound_9383	OC(=O)C1CCCO1	0.59	1.0
Compound_9384	OC(=O)CCC(=O)OCCOC(=O)C=C	0.44	0.0
Compound_9385	NC(=N)NCCOCCO	0.36	0.0
Compound_9386	OC(=O)COCC(=O)O	0.53	1.0
Compound_9387	C=CC(=O)OCC(COc1ccccc1)O	0.65	1.0
Compound_9388	C=CC(=O)OCC(COCC(COCC(COC(=O)C=C)O)O)O	0.42	0.0
Compound_9389	OC(COCC1OC1)COCC1OC1	0.54	1.0
Compound_9390	C=CC(=O)OCC(COCCCCCCOCC(COC(=O)C=C)O)O	0.58	1.0
Compound_9391	C=CC(=O)OCC(COCCCCOCC(COC(=O)C=C)O)O	0.58	1.0
Compound_9392	OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O	0.42	0.0
Compound_9393	OCC1OC(C(C1O)O)n1cnc2c1[nH]cnc2=O	0.05	0.0
Compound_9394	OCCOCCO	0.99	1.0
Compound_9395	OCCOCCO	0.99	1.0
Compound_9396	C=CC(=O)OC1CCCCC1O	0.52	1.0
Compound_9397	OC1OCC(OC1)O	0.54	1.0
Compound_9398	OC1COCOC1	0.47	0.0
Compound_9399	OC1OCCOC1O	0.5	0.0
Compound_9400	OCC(COCC(CO)O)O	0.35	0.0
Compound_9401	OCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O	0.35	0.0
Compound_9402	OC(CO)COCC=C	0.36	0.0
Compound_9403	OC(CO)COCC1CO1	0.43	0.0
Compound_9404	OCC1=CC(=O)C(=O)CO1	0.62	1.0
Compound_9405	OCC1CCCO1	0.76	1.0
Compound_9406	OCC1CO1	0.87	1.0
Compound_9407	OCC1COC(=O)O1	0.55	1.0
Compound_9408	OCCOC(=O)C=C	0.61	1.0
Compound_9409	OCCOC(=O)COc1ccccc1	0.84	1.0
Compound_9410	OCCOC=C	0.81	1.0
Compound_9411	OCCOC=O	0.67	1.0
Compound_9412	OCCOCC#C	0.87	1.0
Compound_9413	OCCOCC#CCOCCO	0.93	1.0
Compound_9414	OCCOCC#CI	0.85	1.0
Compound_9415	OCCOCC=C	0.86	1.0
Compound_9416	OCCOCc1ccccc1	0.81	1.0
Compound_9417	OCCOCCCl	0.91	1.0
Compound_9418	OCCOCCN1CCNCC1	0.12	0.0
Compound_9419	OCCOCCOC=C	0.85	1.0
Compound_9420	OCCOCCOc1c(Br)cc(cc1Br)Br	0.71	1.0
Compound_9421	OCCOCCOc1ccccc1	0.83	1.0
Compound_9422	OCCOCCOCc1ccccc1	0.87	1.0
Compound_9423	OCCOCN1C(=O)N(C2C1N(COCCO)C(=O)N2COCCO)COCCO	0.19	0.0
Compound_9424	OCOCCO	0.67	1.0
Compound_9425	OCCOCOCCO	0.89	1.0
Compound_9426	OCOCCOCO	0.73	1.0
Compound_9427	C=CC(=O)OCCOP(=O)(O)O	0.59	1.0
Compound_9428	SCC(=O)OCCOC(=O)CS	0.76	1.0
Compound_9429	SCCOCCOCCS	0.95	1.0
Compound_9430	CC(OP(=O)OC(C)C)C	0.68	1.0
Compound_9431	CC(OP(=O)(OC(C)C)F)C	0.66	1.0
Compound_9432	CCC1(COP(=O)(OC)C)COP(=O)(OC1)C	0.63	1.0
Compound_9433	CCC1(COP(=O)(OCC2(CC)COP(=O)(OC2)C)C)COP(=O)(OC1)C	0.66	1.0
Compound_9434	CCCCOP(=O)OCCCC	0.78	1.0
Compound_9435	CCCOP(=O)OCCC	0.76	1.0
Compound_9436	CCCOP(=O)(OCCC)Cl	0.86	1.0
Compound_9437	CCP(=O)(OCC)OCC	0.85	1.0
Compound_9438	CCOP(=O)(N=C1SCCS1)OCC	0.64	1.0
Compound_9439	CCOP(=O)(OCC)C	0.81	1.0
Compound_9440	CCOP(=O)(OCC)Cl	0.84	1.0
Compound_9441	COP(=O)(OCCC[Si](OC)(OC)OC)C	0.67	1.0
Compound_9442	OCNC(=O)CCP(=O)(OC)OC	0.29	0.0
Compound_9443	COP(=O)(c1ccccc1)OC	0.72	1.0
Compound_9444	COP(=O)OC	0.59	1.0
Compound_9445	COP(=O)(OC)C	0.68	1.0
Compound_9446	O=P1(OCC2(CO1)COP(=O)(OC2)Cc1ccccc1)Cc1ccccc1	0.68	1.0
Compound_9447	O=P1(CCc2ccccc2)OCC2(CO1)COP(=O)(OC2)CCc1ccccc1	0.63	1.0
Compound_9448	CC(C(=O)O)CSP(=S)(OCC(C)C)OCC(C)C	0.8	1.0
Compound_9449	CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C	0.22	0.0
Compound_9450	CCCCOC(=O)C(SP(=S)(OCC(CCCC)CC)OCC(CCCC)CC)CC(=O)OCCCC	0.73	1.0
Compound_9451	CCCCOC(=O)CC(C(=O)OCCCC)SP(=S)(OCCC)OCCC	0.86	1.0
Compound_9452	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC	0.88	1.0
Compound_9453	CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C	0.8	1.0
Compound_9454	CCSCCSP(=S)(OCC)OCC	0.75	1.0
Compound_9455	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	0.58	1.0
Compound_9456	CCOP(=S)(SCSC(C)(C)C)OCC	0.94	1.0
Compound_9457	CCSCSP(=S)(OCC)OCC	0.9	1.0
Compound_9458	CNC(=O)CSP(=S)(OC)OC	0.76	1.0
Compound_9459	COP(=S)(SCc1nc(N)nc(n1)N)OC	0.4	0.0
Compound_9460	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	0.57	1.0
Compound_9461	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.79	1.0
Compound_9462	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.79	1.0
Compound_9463	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.79	1.0
Compound_9464	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.79	1.0
Compound_9465	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.79	1.0
Compound_9466	CCCCOP(=O)(OCCCC)O	0.87	1.0
Compound_9467	CCCCOP(=O)(OCCCC)O	0.87	1.0
Compound_9468	CCCCOP(=O)(OCCCC)O	0.87	1.0
Compound_9469	CCCCOP(=O)(OCCCC)O	0.87	1.0
Compound_9470	CCCCOP(=O)(OCCCC)O	0.87	1.0
Compound_9471	CC(CCCCCOP(=O)(OCCCCCC(C)C)O)C	0.8	1.0
Compound_9472	CC(CCCCCOP(=O)(OCCCCCC(C)C)O)C	0.8	1.0
Compound_9473	CCOP(=O)(OCC)O	0.8	1.0
Compound_9474	CCOP(=O)(OCC)O	0.8	1.0
Compound_9475	BrCC(COP(=O)(OCC(CBr)Br)OCC(CBr)Br)Br	0.86	1.0
Compound_9476	BrCC(COP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr)(CBr)CBr	0.83	1.0
Compound_9477	C=CCOP(=O)(OCC=C)OCC=C	0.8	1.0
Compound_9478	CC(COP(=O)(OCC(C)C)OCC(C)C)C	0.88	1.0
Compound_9479	CC(COP(=O)(OCC(C)C)O)C	0.74	1.0
Compound_9480	ClCC(OP(=O)(OC(CCl)C)OC(CCl)C)C	0.93	1.0
Compound_9481	CC(CC(C)(C)C)CCOP(=O)(OCCC(CC(C)(C)C)C)OCCC(CC(C)(C)C)C	0.8	1.0
Compound_9482	ClCC(OP(=O)(OC(CCl)C)OCC(Cl)C)C	0.88	1.0
Compound_9483	ClCC(OP(=O)(OCC(Cl)C)OCC(Cl)C)C	0.86	1.0
Compound_9484	ClCC(COP1(=O)OCC(CO1)(C)C)(COP1(=O)OCC(CO1)(C)C)CCl	0.64	1.0
Compound_9485	CC1(C)COP(=S)(OC1)OP1(=S)OCC(CO1)(C)C	0.7	1.0
Compound_9486	CC1(C)COP(OC1)Oc1ccccc1	0.73	1.0
Compound_9487	CCC1(COP(OCC2(CC)COC2)OCC2(CC)COC2)COC1	0.86	1.0
Compound_9488	CCCCC(COP(=O)(Oc1ccccc1)OCC(CCCC)CC)CC	0.84	1.0
Compound_9489	CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC	0.87	1.0
Compound_9490	CCCCC(COP(=O)(OP(=O)(O)O)OCC(CCCC)CC)CC	0.62	1.0
Compound_9491	CCCCCCOP(=O)(OCCCCCC)OCCCCCC	0.88	1.0
Compound_9492	CCCCCOP(=O)(OCCCCC)O	0.84	1.0
Compound_9493	CCCCOP(=O)(Oc1ccccc1)OCCCC	0.95	1.0
Compound_9494	CCCCOP(=O)(OCCCC)OCCCC	0.99	1.0
Compound_9495	CCCCOP(=O)(OP(=O)(O)O)OCCCC	0.68	1.0
Compound_9496	CCCCOP(OCCCC)OCCCC	0.92	1.0
Compound_9497	CCOP(=O)(OCC)OCC	0.98	1.0
Compound_9498	CCOP(OCC)O	0.77	1.0
Compound_9499	CCOP(OCC)OCC	0.88	1.0
Compound_9500	ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl	0.88	1.0
Compound_9501	ClCC(COP(=O)(OCC(CCl)Cl)OCC(CCl)Cl)Cl	0.88	1.0
Compound_9502	ClCCOP(=O)(OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl)OCCCl	0.77	1.0
Compound_9503	ClCCOP(=O)(OCCCl)OCCCl	0.91	1.0
Compound_9504	ClCCOP(OCCCl)OCCCl	0.87	1.0
Compound_9505	CNC(=O)C=C(OP(=O)(OC)OC)C	0.91	1.0
Compound_9506	COP(=O)(OC)OC	0.69	1.0
Compound_9507	COP(=O)(OP(=O)(OC)OC)OC	0.71	1.0
Compound_9508	COP(OC)OC	0.67	1.0
Compound_9509	OCC12COP(=O)(OC1)OC2	0.74	1.0
Compound_9510	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	0.88	1.0
Compound_9511	CCOP(=O)(OCC)SCc1ccccc1	0.92	1.0
Compound_9512	CNC(=O)CSP(=O)(OC)OC	0.64	1.0
Compound_9513	CCOP(=O)O	0.73	1.0
Compound_9514	CC(COP(=O)(O)O)C	0.63	1.0
Compound_9515	CC(COP(=O)(O)O)C	0.63	1.0
Compound_9516	CCCCOP(=O)(O)O	0.81	1.0
Compound_9517	CCCCOP(=O)(O)O	0.81	1.0
Compound_9518	CCCCOP(=O)(O)O	0.81	1.0
Compound_9519	CCCCOP(=O)(O)O	0.81	1.0
Compound_9520	OCC(OP(=O)(O)O)CO	0.48	0.0
Compound_9521	OCC(OP(=O)(O)O)CO	0.48	0.0
Compound_9522	OCC(COP(=O)(O)O)O	0.17	0.0
Compound_9523	COP(=O)(O)C	0.57	1.0
Compound_9524	O[Si](CCCOP(=O)(O)C)(O)O	0.68	1.0
Compound_9525	COP(=O)(O)O	0.35	0.0
Compound_9526	COP(=O)(O)O	0.35	0.0
Compound_9527	CC(CCOP(=O)(O)O)C	0.8	1.0
Compound_9528	CC(OP(=O)(O)O)C	0.4	0.0
Compound_9529	CCCCOP(=O)O	0.7	1.0
Compound_9530	CCOP(OCC)C	0.78	1.0
Compound_9531	CCOP(=O)(O)O	0.63	1.0
Compound_9532	COP(=S)(OC)Cl	0.58	1.0
Compound_9533	COP(=O)(OP(=O)(OC)O)O	0.49	0.0
Compound_9534	COP(=S)(OC)S	0.69	1.0
Compound_9535	BrC(S(=O)(=O)c1ccccc1)(Br)Br	0.69	1.0
Compound_9536	C(Sc1ccccc1)Sc1ccccc1	0.74	1.0
Compound_9537	CC(=O)c1ccc(cc1)S(=O)(=O)C	0.72	1.0
Compound_9538	OCCS(=O)(=O)c1ccc(cc1)NC(=O)C	0.22	0.0
Compound_9539	O=N(=O)c1cc(ccc1C)S(=O)(=O)C	0.73	1.0
Compound_9540	OC(=O)c1ccc(c(c1Cl)C)S(=O)(=O)C	0.71	1.0
Compound_9541	IC(S(=O)(=O)c1ccc(cc1)C)I	0.75	1.0