Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCCCCCCCCC(=O)O	0.91	1.0
Compound_2	CN(CCCNC(=O)C(=C)C)C	0.26	0.0
Compound_3	O=C(NC1CCCCC1)NC1CCCCC1	0.96	1.0
Compound_4	COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1	0.59	1.0
Compound_5	C#CCOC[C@@H]1CO[C@@](O1)(Cn1cncc1)c1ccc(cc1Cl)Cl	0.26	0.0
Compound_6	COC(=O)Nc1[nH]c2c(n1)cc(cc2)S(=O)c1ccccc1	0.1	0.0
Compound_7	CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2	0.0	0.0
Compound_8	O=C(C1=C(C)OCCC1)Nc1ccccc1	0.07	0.0
Compound_9	CNC(=O)Oc1ccccc1OC(C)C	0.88	1.0
Compound_10	CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C	0.98	1.0
Compound_11	CNC(=O)Oc1cccc2c1OC(C2)(C)C	0.91	1.0
Compound_12	COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1	0.36	0.0
Compound_13	COc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N	0.07	0.0
Compound_14	CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C	0.1	0.0
Compound_15	CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC	0.92	1.0
Compound_16	O=N(=O)c1ccccc1O	0.98	1.0
Compound_17	Nc1ccc(c(c1)O)C(=O)O	0.01	0.0
Compound_18	CC(OOC1(CCCCC1)OOC(C)(C)C)(C)C	0.75	1.0
Compound_19	Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O	0.97	1.0
Compound_20	FC(C(F)(F)F)C(F)(F)F	0.27	0.0
Compound_21	FC(C(F)(F)F)OC(C(C(F)(F)F)(F)F)(F)F	0.68	1.0
Compound_22	CCN(c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC)CC	0.55	1.0
Compound_23	N#CC(=NN=C(N)N)c1cccc(c1Cl)Cl	0.1	0.0
Compound_24	CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCn2c1nc(C)c(c2=O)CCN1CCC(CC1)c1noc2c1ccc(c2)F	0.0	0.0
Compound_25	C=CCOc1nc(OCC=C)nc(n1)OCC=C	0.23	0.0
Compound_26	O=c1c2cc3[nH]c4ccccc4c(=O)c3cc2[nH]c2c1cccc2	0.76	1.0
Compound_27	CC(COc1ccc(cc1)C(c1ccc(cc1)OCC(O)C)(C)C)O	0.75	1.0
Compound_28	ClCC(OP(=O)(OCC(Cl)C)OCC(Cl)C)C	0.97	1.0
Compound_29	CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C	0.87	1.0
Compound_30	O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3	0.42	0.0
Compound_31	CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C	0.97	1.0
Compound_32	N#CCCOCCCCCCCC(C)C	0.83	1.0
Compound_33	CC(c1ccc(cc1)CC(O)(C)C)C(=O)O	0.34	0.0
Compound_34	O=C(Nc1c(C)cccc1C)CN1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F	0.0	0.0
Compound_35	Nc1cccc2c1cccc2N	0.99	1.0
Compound_36	Nc1cccc2c1c(N)ccc2	0.99	1.0
Compound_37	CCCCCCCCCC[N+](CCCCCCCCCC)(C)C	0.88	1.0
Compound_38	CSC1NC(NC(C)C)NC(N1CCNc1nc(SC)nc(n1)NC(C)(C)C)NC(C)C	0.03	0.0
Compound_39	O=C(c1ccccc1)c1ccccc1	0.3	0.0
Compound_40	COCCOCCOCCOC	0.92	1.0
Compound_41	OS(=O)(=O)c1nc2c(s1)cccc2	0.98	1.0
Compound_42	CCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_43	Cc1ccc(cc1)S(=O)(=O)N	0.03	0.0
Compound_44	CCCCOC(=O)c1ccc(cc1)O	0.99	1.0
Compound_45	Nc1ccc(cc1C)Cc1ccc(c(c1)C)N	0.99	1.0
Compound_46	Cc1cc(C)cc(c1S(=O)(=O)O)C	0.64	1.0
Compound_47	Cn1cnc2c1c(=O)n(c(=O)[nH]2)C	0.02	0.0
Compound_48	CC(n1c(=O)cc(n1C)C)C	0.41	0.0
Compound_49	C1CCC(NC1)c1cccnc1	0.12	0.0
Compound_50	Cc1c(N)cccc1Cl	0.96	1.0
Compound_51	OC(=O)C1=C(CCCC1)C(=O)O	0.21	0.0
Compound_52	Oc1ccc2c(c1)oc(=O)cc2C	0.55	1.0
Compound_53	CCN(CCOC(=O)c1cccnc1)CC	0.03	0.0
Compound_54	OC(COc1cccc(c1)C)CNC(C)C	0.01	0.0
Compound_55	CCC1(CCC(=O)NC1=O)c1ccc(cc1)N	0.68	1.0
Compound_56	CN1CCN2C(C1)c1ccccc1Cc1c2cccc1	0.0	0.0
Compound_57	CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c1ccccc1	0.11	0.0
Compound_58	OC(COc1cccc2c1SCCC2)CNC(C)(C)C	0.0	0.0
Compound_59	CCC(c1ccc(cc1)CC(CN1C[C@H](C)O[C@@H](C1)C)C)(C)C	0.03	0.0
Compound_60	Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1cccc(c1)C(F)(F)F	0.01	0.0
Compound_61	O=C=Nc1ccccc1	0.71	1.0
Compound_62	Nc1ccccc1	1.0	1.0
Compound_63	CCCCC(COC=C)CC	0.95	1.0
Compound_64	Cc1cccc(c1)O	0.95	1.0
Compound_65	CC(=O)c1ccccc1	0.91	1.0
Compound_66	CCCCC(C(=O)O)CC	0.96	1.0
Compound_67	COc1ccc(cc1)O	0.95	1.0
Compound_68	OC1CC2CC1C(=C)C2(C)C	0.32	0.0
Compound_69	O=C1C=C(C)C(=O)C(C1)(C)C	0.58	1.0
Compound_70	CCc1cccc(c1)O	0.99	1.0
Compound_71	O=C1CC(C)C(=O)C(C1)(C)C	0.95	1.0
Compound_72	Clc1cccc(c1O)Cl	0.81	1.0
Compound_73	Cc1ccc(cc1)C(=O)C	0.97	1.0
Compound_74	CCC1=C(C)C(=O)NC1=O	0.55	1.0
Compound_75	S=C=NC1CCCCC1	0.41	0.0
Compound_76	CC(=C)c1ccc(cc1)O	0.94	1.0
Compound_77	COCc1cc(O)ccc1OC	0.86	1.0
Compound_78	CCc1ccc(c(c1)O)CC	0.95	1.0
Compound_79	CCc1ccc(cc1)C(=O)O	0.94	1.0
Compound_80	COc1cccc(c1O)OC	0.65	1.0
Compound_81	CCCCCCCCC=CCCCC	0.94	1.0
Compound_82	OCc1ccccc1C(=O)O	0.37	0.0
Compound_83	CC(CC(C#CC(CC(C)C)(O)C)(O)C)C	0.7	1.0
Compound_84	CC(=O)c1ccc(cc1)C(=O)C	0.95	1.0
Compound_85	CC1=CC(C)(C)Nc2c1cccc2	0.91	1.0
Compound_86	CCCCCCCCCCCCl	0.98	1.0
Compound_87	CC(=O)c1ccc(cc1)C(O)(C)C	0.98	1.0
Compound_88	O=C1NC(=O)c2c1cccc2	0.73	1.0
Compound_89	Oc1ccc(cc1C(C)(C)C)C(C)(C)C	1.0	1.0
Compound_90	O=C=Nc1c(C)cccc1C	0.57	1.0
Compound_91	CCCCCCCO/C=C/CC	0.96	1.0
Compound_92	CCCCCCCCCCCCCCCCBr	0.99	1.0
Compound_93	CCN(C(=O)c1ccc(cc1)C)CC	0.54	1.0
Compound_94	CCCCCC(C1CCC(=O)O1)O	0.85	1.0
Compound_95	CCCOc1ccc(cc1)C=O	0.98	1.0
Compound_96	CCCCCCCCCCCCCCBr	0.99	1.0
Compound_97	N#CCC(c1ccccc1)c1ccccc1	0.96	1.0
Compound_98	N#CC=C(c1ccccc1)c1ccccc1	0.97	1.0
Compound_99	COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.86	1.0
Compound_100	CCCCCCCCCCCCCCCCC(C)C	0.99	1.0
Compound_101	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.13	0.0
Compound_102	O=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.99	1.0
Compound_103	c1cc2cccc3c2c(c1)C=C3	0.99	1.0
Compound_104	c1ccc2c(c1)Cc1c2cccc1	1.0	1.0
Compound_105	c1ccc2c(c1)cc1c(c2)cccc1	1.0	1.0
Compound_106	c1ccc2c(c1)c1cccc3c1c2ccc3	1.0	1.0
Compound_107	c1cc2ccc3c4c2c(c1)ccc4ccc3	1.0	1.0
Compound_108	Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.38	0.0
Compound_109	Clc1cc(Cl)c(c(c1Cl)Cl)Cl	0.25	0.0
Compound_110	BrC(=O)c1ccccc1	0.99	1.0
Compound_111	ClC(S(=O)(=O)C)Cl	0.97	1.0
Compound_112	CC(=O)OC(COC(=O)C)COC(=O)C	0.41	0.0
Compound_113	CCCCCCCCCCCCCCCCO	0.98	1.0
Compound_114	Oc1cccc(c1)Nc1ccccc1	0.96	1.0
Compound_115	Cc1cccc(c1)C	0.99	1.0
Compound_116	CCCC(CC(CC(=C)C)C)C	0.91	1.0
Compound_117	CCCCCCCC(C)C	0.99	1.0
Compound_118	CCCCCCCCCC	1.0	1.0
Compound_119	CC1=CCCC(C1)C(=C)C	0.59	1.0
Compound_120	CCC(C(C(C)C)C)C	0.94	1.0
Compound_121	CCC(CCC(CC(C(C)C)C)C)C	0.97	1.0
Compound_122	C=CCC(C=O)C	0.98	1.0
Compound_123	CCCCCCCCCCCCC	1.0	1.0
Compound_124	CCC(C(C)C)CCCC(C)C	0.98	1.0
Compound_125	CCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_126	c1ccc2c(c1)c1ccc3c(c1cc2)cccc3	1.0	1.0
Compound_127	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	1.0	1.0
Compound_128	ClCc1ccccc1	0.97	1.0
Compound_129	OCCCCC(=O)Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.55	1.0
Compound_130	CC(=O)c1ccc(c(c1)C(=O)N)O	0.24	0.0
Compound_131	CCCCCCCCC=CCCCCCCCCCCCC(=O)N	0.59	1.0
Compound_132	CSC1=NCCS1	0.39	0.0
Compound_133	c1ccc(cc1)Oc1ccccc1	0.99	1.0
Compound_134	CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O	0.3	0.0
Compound_135	CCCCC[C@H]1CCC(=O)O1	0.86	1.0
Compound_136	CCCCC(CNCC(CCCC)CC)CC	0.88	1.0
Compound_137	CCNS(=O)(=O)c1ccccc1C	0.21	0.0
Compound_138	O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C	0.84	1.0
Compound_139	CCCCCCCCCCCCCl	0.98	1.0
Compound_140	COc1cc(ccc1OC)C(=O)C	0.97	1.0
Compound_141	Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O	0.99	1.0
Compound_142	Oc1ccc(cc1)Nc1ccccc1	0.99	1.0
Compound_143	CCc1ccc(cc1)O	0.99	1.0
Compound_144	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.99	1.0
Compound_145	C#CC1(O)C(=CC(=O)CC1(C)C)C	0.13	0.0
Compound_146	c1ccc2c(c1)oc1c2cccc1	1.0	1.0
Compound_147	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_148	CCCCCCCCC=CCCCCCCC	0.94	1.0
Compound_149	O=C1CCC(=O)c2c(N1)cccc2	0.09	0.0
Compound_150	O=C1CC(c2c1cccc2)c1ccccc1	0.97	1.0
Compound_151	O=S(=O)(c1ccccc1)Nc1ccccc1	0.66	1.0
Compound_152	CCCCC1CCCCC(=O)C1	0.89	1.0
Compound_153	Cc1cc2ccccc2nc1C	0.98	1.0
Compound_154	N#CC=Cc1ccccc1	0.93	1.0
Compound_155	Cc1ccc2c(c1C)c1ccccc1[nH]2	0.99	1.0
Compound_156	CC(=O)N1c2ccccc2C=Cc2c1cccc2	0.32	0.0
Compound_157	COC(=O)C(=C)C1CC2=C(C)C(=O)OC2CC1(C)C=C	0.55	1.0
Compound_158	CC(c1cccc(c1)C(O)(C)C)(O)C	0.94	1.0
Compound_159	CC(N(S(=O)(=O)C)C(C)C)C	0.81	1.0
Compound_160	CCc1cccc(c1)C(=O)C	0.94	1.0
Compound_161	O=C1COC(=S)N1	0.13	0.0
Compound_162	O=C(C(=C)C)OCCOCCOC(=O)C(=C)C	0.84	1.0
Compound_163	CCOc1ccc(cc1)C(=O)OCC	0.99	1.0
Compound_164	CN1CCCC1c1ccccn1	0.05	0.0
Compound_165	CC(c1ccc2c(c1)ccc(c2)C(C)C)C	1.0	1.0
Compound_166	C=C1C=Cc2c1cccc2	0.96	1.0
Compound_167	COc1cc(cc(c1O)OC)C(=O)C	0.84	1.0
Compound_168	CC(=O)c1csc2c1cccc2	0.91	1.0
Compound_169	c1ncc2c(c1)nc[nH]2	0.6	1.0
Compound_170	CC(c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1)C	0.98	1.0
Compound_171	CCNc1nc2c(s1)cccc2	0.8	1.0
Compound_172	O=P(c1ccccc1)(c1ccccc1)Cc1ccccc1	0.98	1.0
Compound_173	CS(=O)(=O)c1ccccc1	0.95	1.0
Compound_174	CCCCCC1CCCCC1=O	0.91	1.0
Compound_175	CC(=O)c1ccc(c(c1)C)Cl	0.97	1.0
Compound_176	CC(=CCCC(=O)C)CCC=C(C)C	0.1	0.0
Compound_177	O=CN1CCN(CC1)C=O	0.15	0.0
Compound_178	CSSCSC	0.89	1.0
Compound_179	Cc1ccc(c(c1)O)n1nc2c(n1)cccc2	0.57	1.0
Compound_180	COC1COC2C1OCC2OC	0.38	0.0
Compound_181	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_182	CC(c1cccc(c1Cl)C(C)C)C	0.95	1.0
Compound_183	O=C1CCCCCNC(=O)CCCCCN1	0.2	0.0
Compound_184	CC(c1ccc(c(c1)C)C(C)C)C	0.97	1.0
Compound_185	CCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_186	CCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_187	CC(c1ccccc1)(O)C	0.98	1.0
Compound_188	CCCCCCCCCCCCCC	1.0	1.0
Compound_189	CCCCCCCCCCCCCCCBr	0.99	1.0
Compound_190	CCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_191	CCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_192	CCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_193	CCCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_194	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_195	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_196	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_197	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_198	CCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_199	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_200	CCCCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_201	CC(=O)Cc1ccc(c(c1)Cl)Cl	0.96	1.0
Compound_202	CC(=O)c1cccc(c1)C(=O)C	0.95	1.0
Compound_203	Cc1cccc(c1)C(=O)N(C)C	0.54	1.0
Compound_204	CCCCCCC(OC(=O)c1ccccc1)C	0.96	1.0
Compound_205	O=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C	0.89	1.0
Compound_206	O=CNC1CCCCC1	0.34	0.0
Compound_207	C=COC(=O)c1ccccc1	0.98	1.0
Compound_208	CC1=CCC(CC1=O)C(O)(C)C	0.18	0.0
Compound_209	O=C1CCCCC(=O)OCCCCO1	0.82	1.0
Compound_210	CC(=O)C1C=C2C(O1)(C)C1OC1CC2(C)C	0.76	1.0
Compound_211	O=c1n(C)c(=O)n(c(=O)n1C)C	0.08	0.0
Compound_212	COc1cc(OC)ccc1C(=O)C	0.98	1.0
Compound_213	O=C1c2ccccc2C(=O)c2c1cccc2	0.99	1.0
Compound_214	Cc1ccccc1S(=O)(=O)N	0.32	0.0
Compound_215	COc1ccccc1O	0.1	0.0
Compound_216	CCCCCCCCOC(=O)c1ccccc1C(=O)OC	0.89	1.0
Compound_217	O=C1CCC[C@]2([C@H]1CCCC2)C	0.92	1.0
Compound_218	Cn1nc2c(c1N)cccc2	0.32	0.0
Compound_219	NS(=O)(=O)c1ccccc1	0.06	0.0
Compound_220	Nc1cccc(c1)C(=O)C	0.99	1.0
Compound_221	O=C1NC(=O)C2=NC=NC2N1	0.05	0.0
Compound_222	CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC	0.63	1.0
Compound_223	C=Cc1ccccc1	1.0	1.0
Compound_224	Cc1ccc(c(c1)C)O	0.99	1.0
Compound_225	Clc1ccc(cc1)Cl	0.99	1.0
Compound_226	CCCCCCCCC=CCCCCCCCC(=O)O	0.6	1.0
Compound_227	Cc1c(C)cccc1C	0.92	1.0
Compound_228	CC(c1ccccc1C)C	0.95	1.0
Compound_229	CC1(CC)CC(=O)NC1=O	0.01	0.0
Compound_230	ClC(C(Cl)Cl)Cl	0.94	1.0
Compound_231	O=C1CCC2(O1)C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C	0.68	1.0
Compound_232	c1ccc2c(c1)nc1c(n2)cccc1	0.98	1.0
Compound_233	c1ccc2c(c1)cnc1c2cccc1	1.0	1.0
Compound_234	Clc1ccccn1	0.99	1.0
Compound_235	Cn1cccc1	0.52	1.0
Compound_236	CN(c1ccccc1)C	0.81	1.0
Compound_237	CCNCc1ccccc1	0.45	0.0
Compound_238	c1ccc2c(c1)cncc2	1.0	1.0
Compound_239	c1ccc2c(c1)[nH]cn2	0.92	1.0
Compound_240	N#Cc1ncccc1C	0.93	1.0
Compound_241	CCCCCCN	0.79	1.0
Compound_242	N#Cc1cccnc1Cl	0.95	1.0
Compound_243	Nc1ccnc(c1)Cl	0.98	1.0
Compound_244	n1ccncc1	0.94	1.0
Compound_245	N#Cc1cccc2c1cccc2	0.95	1.0
Compound_246	CCCCCCCCCCN	0.8	1.0
Compound_247	Nc1cccc2c1cccc2	1.0	1.0
Compound_248	Cc1ncc[nH]1	0.14	0.0
Compound_249	N#Cc1ccccc1	0.99	1.0
Compound_250	c1ccc2c(c1)[nH]nc2	0.88	1.0
Compound_251	N#Cc1cccc(c1)N	0.97	1.0
Compound_252	c1ccc2c(c1)[nH]cc2	0.81	1.0
Compound_253	c1ccc2c(c1)nccc2	1.0	1.0
Compound_254	Cc1cc2c([nH]1)cccc2	1.0	1.0
Compound_255	c1ccc(cc1)N=Nc1ccccc1	0.89	1.0
Compound_256	NCCc1ccccc1	0.06	0.0
Compound_257	c1cnc2c(c1)c1cccnc1cc2	0.99	1.0
Compound_258	c1ccc2c(n1)c1ncccc1cc2	0.61	1.0
Compound_259	Nc1ccccn1	0.87	1.0
Compound_260	c1ccc(cc1)CN(Cc1ccccc1)Cc1ccccc1	0.24	0.0
Compound_261	Nc1ccccc1Br	0.99	1.0
Compound_262	Nc1ccccc1Cl	0.99	1.0
Compound_263	Nc1ccc(cc1)F	0.96	1.0
Compound_264	Nc1ccc(cc1)Cl	0.93	1.0
Compound_265	Cc1cccc(n1)C	0.98	1.0
Compound_266	Nc1ccc(cc1)c1ccc(cc1)N	1.0	1.0
Compound_267	Nc1ccc(cc1)N	0.99	1.0
Compound_268	Nc1ccc2c(c1)cc1c(c2)cccc1	1.0	1.0
Compound_269	c1cnn[nH]1	0.86	1.0
Compound_270	c1ccc(cc1)n1ccc2c1cccc2	0.92	1.0
Compound_271	Nc1ncnc2c1nc[nH]2	0.51	1.0
Compound_272	CNc1ccccc1	0.98	1.0
Compound_273	Nc1nc2c([nH]1)cccc2	0.89	1.0
Compound_274	NCC1(C)CC(N)CC(C1)(C)C	0.1	0.0
Compound_275	CNc1cccc(c1)Br	0.98	1.0
Compound_276	Brc1cccc(c1)N(C)C	0.99	1.0
Compound_277	NCc1cccc(c1)C(F)(F)F	0.54	1.0
Compound_278	Nc1ccccc1c1ccccc1	0.99	1.0
Compound_279	COP(=S)(SCn1nnc2c(c1=O)cccc2)OC	0.91	1.0
Compound_280	CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC	0.13	0.0
Compound_281	CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC	0.33	0.0
Compound_282	CCNc1nc(NCC)nc(n1)SC	0.68	1.0
Compound_283	CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C	0.04	0.0
Compound_284	CCOP(=S)(OCC)SCSP(=S)(OCC)OCC	0.98	1.0
Compound_285	CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC	0.43	0.0
Compound_286	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1	0.23	0.0
Compound_287	CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl	0.12	0.0
Compound_288	Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O	0.67	1.0
Compound_289	CCCN(C(=O)SCc1ccccc1)CCC	0.91	1.0
Compound_290	O=Cc1ccccc1Nc1ccccc1Cl	0.97	1.0
Compound_291	CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.0	0.0
Compound_292	Clc1ccc(c(c1)Cl)[C@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1	0.02	0.0
Compound_293	O=Cc1c(C)n(n(c1=O)c1ccccc1)C	0.05	0.0
Compound_294	CC=CC(=O)N(c1ccccc1C)CC	0.71	1.0
Compound_295	O=C1C=C[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)NC(C)(C)C)C)C	0.83	1.0
Compound_296	CC(=O)Nc1ccc(cc1)N	0.85	1.0
Compound_297	COc1cc(ccc1N)c1ccc(c(c1)OC)N	0.99	1.0
Compound_298	Nc1ccc(cc1)Sc1ccc(cc1)N	0.9	1.0
Compound_299	CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C	0.98	1.0
Compound_300	CC(c1ccc(cc1)N)C	0.99	1.0
Compound_301	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C	0.4	0.0
Compound_302	O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C	0.0	0.0
Compound_303	Oc1ccccc1c1ccccc1	0.98	1.0
Compound_304	CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O	0.92	1.0
Compound_305	Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O	0.98	1.0
Compound_306	O=C1CC[C@]2(C(=C1)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]12CCC(=O)O1)C)C	0.84	1.0
Compound_307	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.68	1.0
Compound_308	O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.04	0.0
Compound_309	CN(S(=O)(=O)c1ccc(cc1)N)C	0.77	1.0
Compound_310	Cc1nc2c(s1)cccc2	0.99	1.0
Compound_311	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.98	1.0
Compound_312	CCNS(=O)(=O)c1ccc(cc1)C	0.21	0.0
Compound_313	O=C(c1ccccc1C(=O)O)OCc1ccccc1	0.97	1.0
Compound_314	CCOC(=O)c1ccccc1C(=O)O	0.79	1.0
Compound_315	CC(COC(=O)c1ccccc1C(=O)O)C	0.35	0.0
Compound_316	Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2	0.99	1.0
Compound_317	O=C(c1c(O)c(Cl)c(c(c1Cl)Cl)Cl)Nc1ccccc1	0.92	1.0
Compound_318	OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.93	1.0
Compound_319	OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_320	OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_321	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	0.99	1.0
Compound_322	OCC(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)O	0.67	1.0
Compound_323	C=CC(=O)OCC(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)O	0.98	1.0
Compound_324	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)COc1ccccc1	0.87	1.0
Compound_325	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	0.44	0.0
Compound_326	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	0.99	1.0
Compound_327	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	0.44	0.0
Compound_328	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	0.99	1.0
Compound_329	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	0.42	0.0
Compound_330	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	0.99	1.0
Compound_331	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	0.42	0.0
Compound_332	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	0.99	1.0
Compound_333	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)CNCCCN(C)C	0.02	0.0
Compound_334	CN(CCCNCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C	0.04	0.0
Compound_335	OC(CCC(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)NCCCN(C)C	0.03	0.0
Compound_336	OC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNCCC[N+](CCC(=O)[O-])(C)C	0.02	0.0
Compound_337	CN(CCCNCC(CC(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)C	0.04	0.0
Compound_338	CN(CCCNCC(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)O)C	0.02	0.0
Compound_339	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)CNCCC[N+](CCC(=O)O)(C)C	0.01	0.0
Compound_340	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)CNCCC[N+](CCC(=O)[O-])(C)C	0.01	0.0
Compound_341	CCCCOCCOCCOCC(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)O	0.72	1.0
Compound_342	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.8	1.0
Compound_343	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(CC(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	0.8	1.0
Compound_344	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(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)O	0.71	1.0
Compound_345	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)CC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)C	0.35	0.0
Compound_346	CC(COCC(OCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C)OCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.35	0.0
Compound_347	CC(COCC(OCC(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)O)C)OCC(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)O	0.46	0.0
Compound_348	OC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(O)O	0.83	1.0
Compound_349	OC(CC(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)COP(=O)(O)O	0.83	1.0
Compound_350	OC(CC(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)COP(=O)(O)O	0.83	1.0
Compound_351	OC(CC(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)COP(=O)(O)O	0.83	1.0
Compound_352	OP(=O)(OCCC(C(C(C(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	0.98	1.0
Compound_353	OP(=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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_354	FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(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)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.99	1.0
Compound_355	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	0.41	0.0
Compound_356	FC(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(C(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)F)(F)F)(F)F)F	0.99	1.0
Compound_357	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)F	0.98	1.0
Compound_358	CCCS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_359	FC(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_360	CCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.88	1.0
Compound_361	FC(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_362	CCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.89	1.0
Compound_363	FC(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.98	1.0
Compound_364	FC(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_365	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	0.96	1.0
Compound_366	FC(C(C(S(=O)(=O)N)(F)F)(F)F)(C(F)(F)F)F	0.98	1.0
Compound_367	OC(=O)CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.27	0.0
Compound_368	OC(=O)CNS(=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_369	OC(=O)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	0.29	0.0
Compound_370	OC(=O)CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.27	0.0
Compound_371	OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC	0.41	0.0
Compound_372	OCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.35	0.0
Compound_373	OCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.35	0.0
Compound_374	OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.41	0.0
Compound_375	OCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.35	0.0
Compound_376	OCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.32	0.0
Compound_377	C=CC(=O)OCC(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)O	0.98	1.0
Compound_378	C=CC(=O)OCC(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)O	0.98	1.0
Compound_379	OC(=O)C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F	0.88	1.0
Compound_380	FC(=O)C(C(C(C(C(=O)F)(F)F)(F)F)(F)F)(F)F	0.85	1.0
Compound_381	CCOC(=O)C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F	0.82	1.0
Compound_382	COC(=O)C(C(=O)OC)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.55	1.0
Compound_383	ClC(=O)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_384	C=COCCCCOC(=O)C(C(=O)OCCCCOC=C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_385	C=CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_386	O=C(C(=C)C)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_387	O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_388	C=CC(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_389	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	0.99	1.0
Compound_390	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	0.99	1.0
Compound_391	C=CC(=O)OCCC(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	0.99	1.0
Compound_392	C=CC(=O)OCCC(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	0.99	1.0
Compound_393	CC(=C)C(=O)OCCC(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	0.98	1.0
Compound_394	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	0.99	1.0
Compound_395	O=C(C(=C)C)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	0.99	1.0
Compound_396	C=CC(=O)OCCC(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	0.99	1.0
Compound_397	O=C(C(=C)C)OCCC(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	0.98	1.0
Compound_398	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	0.99	1.0
Compound_399	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	0.99	1.0
Compound_400	C=CC(=O)OCCC(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	0.99	1.0
Compound_401	CC(=C)C(=O)OCCC(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	0.98	1.0
Compound_402	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	0.99	1.0
Compound_403	O=C(C(=C)C)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	0.99	1.0
Compound_404	C=CC(=O)OCCC(C(C(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)(F)F)(F)F	0.99	1.0
Compound_405	O=C(C(=C)C)OCCC(C(C(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)(F)F)(F)F	0.98	1.0
Compound_406	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	0.99	1.0
Compound_407	CC(=C)C(=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	0.99	1.0
Compound_408	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC1CO1)F	0.84	1.0
Compound_409	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(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)O	0.71	1.0
Compound_410	CCCCCC(C(C(C(OC(C(OC(C(OC(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.72	1.0
Compound_411	CC(OC(COCC(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)O)C)COCC(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)O	0.56	1.0
Compound_412	ICCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_413	ICCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_414	FC(C(C(I)(F)F)(F)F)(C(I)(F)F)F	0.99	1.0
Compound_415	ICCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_416	ICCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_417	FC(C(C(I)(F)F)(F)F)(C(C(C(I)(F)F)(F)F)(F)F)F	0.99	1.0
Compound_418	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	1.0	1.0
Compound_419	ICCC(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	1.0	1.0
Compound_420	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	1.0	1.0
Compound_421	ICCC(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	1.0	1.0
Compound_422	ICCC(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	1.0	1.0
Compound_423	ICCC(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	1.0	1.0
Compound_424	ICCC(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	1.0	1.0
Compound_425	OP(=O)(OCCC(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)O	0.92	1.0
Compound_426	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	0.98	1.0
Compound_427	OP(=O)(OCCC(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)O	0.92	1.0
Compound_428	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	0.98	1.0
Compound_429	OP(=O)(OCCC(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)O	0.92	1.0
Compound_430	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	0.98	1.0
Compound_431	OP(=O)(OCCC(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)O	0.94	1.0
Compound_432	OP(=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)O	0.98	1.0
Compound_433	OP(=O)(OCCC(C(C(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)(F)F)(F)F)O	0.94	1.0
Compound_434	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	0.99	1.0
Compound_435	FC(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)(CCOP(=O)(OCCC(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)[O-])F	0.95	1.0
Compound_436	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	0.99	1.0
Compound_437	FC(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)(CCOP(=O)(OCCC(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)O)F	0.94	1.0
Compound_438	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	0.99	1.0
Compound_439	FC(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)(CCOP(=O)(OCCC(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)O)F	0.94	1.0
Compound_440	FC(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)(CCOP(=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)O)F	0.99	1.0
Compound_441	FC(C(C(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)(F)F)(CCOP(=O)(OCCC(C(C(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)(F)F)(F)F)O)F	0.94	1.0
Compound_442	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCS(=O)(=O)Cl)F	0.97	1.0
Compound_443	ClS(=O)(=O)CCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_444	ClS(=O)(=O)CCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_445	C=CC(=O)OCCN(S(=O)(=O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.62	1.0
Compound_446	C=CC(=O)OCCN(S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.59	1.0
Compound_447	ClS(=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	0.97	1.0
Compound_448	[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	0.23	0.0
Compound_449	[O-]C(=O)CC[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	0.14	0.0
Compound_450	ClS(=O)(=O)CCC(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	0.97	1.0
Compound_451	[O-]C(=O)CC[N+](CCCN(S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C)(C)C	0.21	0.0
Compound_452	CN(S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC[N+](CC(=O)[O-])(C)C	0.17	0.0
Compound_453	C=CC(=O)OCCN(S(=O)(=O)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.59	1.0
Compound_454	C=CC(=O)OCCN(S(=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)C	0.6	1.0
Compound_455	ClS(=O)(=O)CCC(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	0.97	1.0
Compound_456	C=CC(=O)OCCN(S(=O)(=O)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.59	1.0
Compound_457	C=CC(=O)OCCN(S(=O)(=O)CCC(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)C	0.6	1.0
Compound_458	ClS(=O)(=O)CCC(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	0.97	1.0
Compound_459	C=CC(=O)OCCN(S(=O)(=O)CC(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)C	0.59	1.0
Compound_460	C=CC(=O)OCCN(S(=O)(=O)CCC(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)C	0.6	1.0
Compound_461	C=CC(=O)OCCN(S(=O)(=O)CC(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)C	0.59	1.0
Compound_462	C=CC(=O)OCCN(S(=O)(=O)CCC(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)C	0.6	1.0
Compound_463	C=CC(=O)OCCN(S(=O)(=O)CC(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)C	0.59	1.0
Compound_464	C=CC(=O)OCCN(S(=O)(=O)CCC(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)C	0.6	1.0
Compound_465	N#CSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.88	1.0
Compound_466	O=C(C(=C)C)OCCC(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	0.98	1.0
Compound_467	OCCN(OP(=O)(OCCC(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)OCCC(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)CCO	0.65	1.0
Compound_468	OCCNS(=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	0.35	0.0
Compound_469	O=CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_470	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	0.99	1.0
Compound_471	O=CCC(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	0.99	1.0
Compound_472	O=CCC(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	0.99	1.0
Compound_473	O=CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_474	OC(=O)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_475	OC(=O)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_476	OC(=O)CC(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_477	OC(=O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_478	C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_479	C=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_480	C=CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_481	C=CC(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	0.99	1.0
Compound_482	OC(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.76	1.0
Compound_483	OC(=O)CCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_484	OC(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_485	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	0.71	1.0
Compound_486	OS(=O)(=O)CCC(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	0.71	1.0
Compound_487	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCS(=O)(=O)O)F	0.7	1.0
Compound_488	O=C/C=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F	0.77	1.0
Compound_489	O=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	0.79	1.0
Compound_490	O=CC=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	0.8	1.0
Compound_491	O=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	0.8	1.0
Compound_492	O=C/C=C(/C(C(C(F)(F)F)(F)F)(F)F)\F	0.77	1.0
Compound_493	OC(=O)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_494	OC(=O)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_495	OC(=O)CC(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	0.98	1.0
Compound_496	OC(=O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_497	FC(=C(F)F)F	0.87	1.0
Compound_498	FC(=C(F)F)Cl	0.96	1.0
Compound_499	FC(=C(C(F)(F)F)F)F	0.92	1.0
Compound_500	FC(=C(OC(F)(F)F)F)F	0.83	1.0
Compound_501	FC(=C(OC(C(F)(F)F)(F)F)F)F	0.79	1.0
Compound_502	O=C(c1ccc(cc1)F)c1ccc(cc1)F	0.89	1.0
Compound_503	FC(=C(OC(C(C(F)(F)F)(F)F)(F)F)F)F	0.84	1.0
Compound_504	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	0.57	1.0
Compound_505	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCOP(=O)(O)O)F	0.96	1.0
Compound_506	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)C	0.97	1.0
Compound_507	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	0.94	1.0
Compound_508	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.63	1.0
Compound_509	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	0.63	1.0
Compound_510	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	0.62	1.0
Compound_511	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	0.68	1.0
Compound_512	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	0.64	1.0
Compound_513	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.25	0.0
Compound_514	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.25	0.0
Compound_515	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	0.25	0.0
Compound_516	CCOC(=O)CN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.57	1.0
Compound_517	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	0.25	0.0
Compound_518	CCOC(=O)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)CC	0.57	1.0
Compound_519	FC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.79	1.0
Compound_520	FC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.87	1.0
Compound_521	FC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.78	1.0
Compound_522	FC(C(C(C(C(=O)O)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_523	FC(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)F	0.99	1.0
Compound_524	OCCN(S(=O)(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)C	0.46	0.0
Compound_525	FC(=C(F)F)OC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F	0.87	1.0
Compound_526	CCCCC(=O)OCC(C(C(C(CCC)(F)F)(F)F)(F)F)(F)F	0.96	1.0
Compound_527	FC(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.64	1.0
Compound_528	FC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.87	1.0
Compound_529	OCCN(S(=O)(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)CCO	0.31	0.0
Compound_530	FC(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.99	1.0
Compound_531	FC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_532	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(C(F)(F)F)S(=O)(=O)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_533	FC(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.96	1.0
Compound_534	FC(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.99	1.0
Compound_535	FC(C(C(C(S(=O)(=O)OS(=O)(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.97	1.0
Compound_536	FC(C(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_537	FC(C(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)Oc1ccc(cc1)S(=O)(=O)Cl)(F)F	0.86	1.0
Compound_538	CCCC[C@@H](C(=O)Nc1ccc(c(c1)O)NC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.26	0.0
Compound_539	FC(C(C(C(C(C(C(=O)OOC(=O)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	0.36	0.0
Compound_540	CN(S(=O)(=O)c1ccc(cc1)OC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)CCOP(=O)(O)O	0.33	0.0
Compound_541	FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_542	FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.98	1.0
Compound_543	FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_544	FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_545	FC(C(C(S(=O)(=O)F)(F)F)(F)F)(C(F)(F)F)F	0.98	1.0
Compound_546	OC(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F	0.9	1.0
Compound_547	FC(N1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F	0.04	0.0
Compound_548	FC(C(N1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F	0.1	0.0
Compound_549	FC(C(C(C(F)(F)F)(F)F)(F)F)(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.26	0.0
Compound_550	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(N(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.48	0.0
Compound_551	FC(OCC(C(F)(F)F)(C(F)(F)F)F)F	0.92	1.0
Compound_552	CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.95	1.0
Compound_553	FC(C1(F)OC(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_554	FC1(F)OC(F)(F)C(C(C(C1(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_555	FC(C(C(F)(F)F)(C(F)(F)F)C1OC(C(C1(F)F)(F)F)(F)F)(F)F	0.92	1.0
Compound_556	CCOC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F	0.93	1.0
Compound_557	FC(C(C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.97	1.0
Compound_558	FC(C(C1(C(F)(F)F)C(F)(OC(C1(F)C(F)(F)F)(F)C(F)(F)F)C(F)(F)F)(F)F)(F)F	0.87	1.0
Compound_559	FC(C(C(C(C1(F)OC(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.93	1.0
Compound_560	FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_561	IC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	0.95	1.0
Compound_562	FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_563	FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_564	FC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_565	FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_566	FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_567	FC(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F	0.96	1.0
Compound_568	FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.98	1.0
Compound_569	FC(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F	0.93	1.0
Compound_570	FC(C(C(C(C(C(C(C(C(C(C(C(I)(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_571	FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F	0.93	1.0
Compound_572	FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_573	FC(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_574	FC(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F	0.93	1.0
Compound_575	FC(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_576	FC(C(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_577	FC(C(C(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_578	FC(C(C(C(C(C(C(C(C(C(C(C(C(C(I)(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)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_579	FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(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	0.98	1.0
Compound_580	FC(C(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(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	0.98	1.0
Compound_581	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(I)(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)F)F	0.98	1.0
Compound_582	C=CC(=O)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_583	OCC(C(C(C(F)F)(F)F)(F)F)(F)F	0.9	1.0
Compound_584	OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_585	OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.95	1.0
Compound_586	OCC(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	0.95	1.0
Compound_587	OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O	0.61	1.0
Compound_588	OC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.63	1.0
Compound_589	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)O	0.67	1.0
Compound_590	OC(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)O	0.67	1.0
Compound_591	O=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.85	1.0
Compound_592	O=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.87	1.0
Compound_593	O=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_594	O=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_595	O=CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_596	C=COCC(C(C(C(F)F)(F)F)(F)F)(F)F	0.96	1.0
Compound_597	C=COCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.92	1.0
Compound_598	C=COCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_599	C=COCC(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	0.99	1.0
Compound_600	FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_601	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(CC1OC1)(F)F)F	0.84	1.0
Compound_602	FC(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(C(CC1OC1)(F)F)F	0.65	1.0
Compound_603	CC1(C)OCC(O1)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	0.78	1.0
Compound_604	FC(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)(CC1CO1)F	0.65	1.0
Compound_605	FC(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)(C(CC1OC1)(F)F)F	0.65	1.0
Compound_606	FC(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)(CC1CO1)F	0.65	1.0
Compound_607	FC(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)(C(C(C(CC1OC1)(F)F)(F)F)(F)F)F	0.65	1.0
Compound_608	CC(=C)C(=O)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_609	FC(C(C(C(COP(=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.97	1.0
Compound_610	FC(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)(CCOP(=O)(OCCC(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)O)F	0.94	1.0
Compound_611	C=CC(=O)OCCCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.61	1.0
Compound_612	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.63	1.0
Compound_613	C=CC(=O)OCCCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.61	1.0
Compound_614	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	0.61	1.0
Compound_615	C=CC(=O)OCCCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.55	1.0
Compound_616	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	0.61	1.0
Compound_617	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	0.61	1.0
Compound_618	CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.65	1.0
Compound_619	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.56	1.0
Compound_620	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	0.68	1.0
Compound_621	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	0.56	1.0
Compound_622	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	0.54	1.0
Compound_623	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	0.68	1.0
Compound_624	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	0.59	1.0
Compound_625	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	0.54	1.0
Compound_626	C=CC(=O)OCCCCN(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	0.54	1.0
Compound_627	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	0.59	1.0
Compound_628	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(O)O	0.57	1.0
Compound_629	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(O)O	0.57	1.0
Compound_630	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	0.57	1.0
Compound_631	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(OCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC)O	0.41	0.0
Compound_632	CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.94	1.0
Compound_633	CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.95	1.0
Compound_634	CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.95	1.0
Compound_635	CCOC(=O)CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC	0.54	1.0
Compound_636	CN(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.07	0.0
Compound_637	C=CCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.9	1.0
Compound_638	OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.46	0.0
Compound_639	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	0.95	1.0
Compound_640	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	0.89	1.0
Compound_641	CN(CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.07	0.0
Compound_642	C=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	0.9	1.0
Compound_643	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	0.47	0.0
Compound_644	C=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	0.73	1.0
Compound_645	OCCCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.52	1.0
Compound_646	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	0.07	0.0
Compound_647	OCCCCN(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	0.52	1.0
Compound_648	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)CCO	0.56	1.0
Compound_649	FC(C(C(C(C(C(S(=O)(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_650	FC(C(C(C(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_651	OC(=O)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	1.0	1.0
Compound_652	OC(=O)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	1.0	1.0
Compound_653	OC(=O)C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F	0.94	1.0
Compound_654	FC(=O)C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F	0.81	1.0
Compound_655	OC(=O)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	0.97	1.0
Compound_656	FC(=O)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	0.88	1.0
Compound_657	OC(=O)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	0.97	1.0
Compound_658	FC(=O)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	0.88	1.0
Compound_659	OC(=O)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	0.97	1.0
Compound_660	OC(=O)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	1.0	1.0
Compound_661	FC(=O)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	0.88	1.0
Compound_662	OCC[N+]1(CCN(CC1)C(=O)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)CC(=O)[O-]	0.06	0.0
Compound_663	OC(=O)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	1.0	1.0
Compound_664	OC(=O)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	0.97	1.0
Compound_665	FC(=O)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	0.88	1.0
Compound_666	OC(=O)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	1.0	1.0
Compound_667	OC(=O)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	1.0	1.0
Compound_668	OC(=O)C(C(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)(F)F	1.0	1.0
Compound_669	FC(C(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.85	1.0
Compound_670	FC(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.86	1.0
Compound_671	FC(C(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.86	1.0
Compound_672	FC(C(C(P(=O)(O)O)(F)F)(F)F)(C(F)(F)F)F	0.85	1.0
Compound_673	FC(C(P(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.95	1.0
Compound_674	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(P(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.95	1.0
Compound_675	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(P(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(F)F)F	0.95	1.0
Compound_676	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(P(=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)O)F	0.94	1.0
Compound_677	FC(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(P(=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)O)(F)F)F	0.94	1.0
Compound_678	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)(P(=O)(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)O)F	0.94	1.0
Compound_679	FC(C(C(C(F)(F)F)(F)F)(F)F)(P(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)F	0.94	1.0
Compound_680	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_681	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_682	FC(C(C(C(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_683	CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_684	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	0.99	1.0
Compound_685	CCCCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_686	CCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_687	CCCCCCCCCCCCCCCCC(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	0.99	1.0
Compound_688	CCCCCCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_689	CCCCCCCCCCCCCC/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	0.98	1.0
Compound_690	CCCCCCCCCCCCCC/C=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	0.98	1.0
Compound_691	CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCOC(=O)C(=C)C	0.54	1.0
Compound_692	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)CCCCOC(=O)C(=C)C	0.57	1.0
Compound_693	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)CCCP(=O)(O)O	0.3	0.0
Compound_694	FC1(F)S(=O)(=O)C(C(C1(F)F)(F)F)(F)F	0.97	1.0
Compound_695	C=CCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.84	1.0
Compound_696	FC1(S(=O)(=O)F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.99	1.0
Compound_697	OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCO	0.26	0.0
Compound_698	C=CCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.84	1.0
Compound_699	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.83	1.0
Compound_700	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.83	1.0
Compound_701	CCOC(=O)CN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.57	1.0
Compound_702	OCCCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.52	1.0
Compound_703	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.83	1.0
Compound_704	FC(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F	0.95	1.0
Compound_705	CNS(=O)(=O)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	0.96	1.0
Compound_706	C=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	0.9	1.0
Compound_707	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.83	1.0
Compound_708	CCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(O)O	0.57	1.0
Compound_709	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	0.46	0.0
Compound_710	OCCN(S(=O)(=O)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)C	0.28	0.0
Compound_711	C=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	0.73	1.0
Compound_712	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	0.43	0.0
Compound_713	[O-]C(=O)CN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC[N+](C)(C)C	0.17	0.0
Compound_714	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.97	1.0
Compound_715	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	0.07	0.0
Compound_716	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	0.61	1.0
Compound_717	OCCCCN(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	0.52	1.0
Compound_718	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)CCO	0.26	0.0
Compound_719	OCCN(S(=O)(=O)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)CCO	0.35	0.0
Compound_720	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.83	1.0
Compound_721	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	0.56	1.0
Compound_722	CN(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	0.15	0.0
Compound_723	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	0.61	1.0
Compound_724	CCOC(=O)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)CC	0.57	1.0
Compound_725	OCCOCCOCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCN(C)C	0.09	0.0
Compound_726	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	0.63	1.0
Compound_727	[O-]N(C(N(C)[O-])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)C	0.15	0.0
Compound_728	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)CCOC(=O)C=C	0.64	1.0
Compound_729	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	0.57	1.0
Compound_730	C=CC(=O)OCCCCN(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	0.53	1.0
Compound_731	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	0.3	0.0
Compound_732	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)CCOC(=O)C(=C)C	0.52	1.0
Compound_733	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	0.61	1.0
Compound_734	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)CCCCOC(=O)C(=C)C	0.54	1.0
Compound_735	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)CCOP(=O)(O)O	0.57	1.0
Compound_736	CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)Cc1ccc(cc1)C(=O)NCCN(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	0.15	0.0
Compound_737	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)CCNC(=O)c1ccc(c(c1)C(=O)NCCN(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)C	0.28	0.0
Compound_738	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)Nc1ccc(c(c1)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)CC)C	0.29	0.0
Compound_739	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC)O	0.41	0.0
Compound_740	CCN(S(=O)(=O)C(C(C(C(C(C(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(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC)O	0.41	0.0
Compound_741	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	0.41	0.0
Compound_742	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)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	0.61	1.0
Compound_743	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)CCCP(=O)(O)O	0.3	0.0
Compound_744	CCOP(=O)(OCC)CCCN(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	0.59	1.0
Compound_745	CCOP(=O)(OCC)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	0.63	1.0
Compound_746	OCCCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.52	1.0
Compound_747	CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO	0.61	1.0
Compound_748	[O-]C(=O)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)CCC[N+](C)(C)C	0.18	0.0
Compound_749	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)CCCS(=O)(=O)O)C	0.15	0.0
Compound_750	FC(C(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_751	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)S(=O)(=O)F)(C(F)(F)F)F	0.99	1.0
Compound_752	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)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	0.61	1.0
Compound_753	CC(F)F	0.85	1.0
Compound_754	FC(Cl)F	0.96	1.0
Compound_755	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F	0.97	1.0
Compound_756	FC(C(C(F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.18	0.0
Compound_757	OC(=O)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F	0.83	1.0
Compound_758	FC1(COP(=O)(O)O)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.67	1.0
Compound_759	FC(=C(F)F)OC(C(C(F)(F)F)(Oc1c(F)c(F)c(c(c1F)F)F)F)(F)F	0.64	1.0
Compound_760	FP1Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C	0.96	1.0
Compound_761	OC(=O)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	0.82	1.0
Compound_762	FC(C(C(F)(F)F)(F)F)(COP(=O)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)F	0.97	1.0
Compound_763	FC1(COP(=O)(OCC2(F)C(F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)O)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.58	1.0
Compound_764	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)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)ON=C(CC)C	0.26	0.0
Compound_765	OC(=O)CN(CC(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)O)C	0.04	0.0
Compound_766	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)CNCCC[N+](CCC(=O)O)(C)C	0.01	0.0
Compound_767	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	0.24	0.0
Compound_768	CCOC(=O)NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCSS(=O)(=O)[O-]	0.7	1.0
Compound_769	OCC[N+](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCO)C	0.19	0.0
Compound_770	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1)F	0.24	0.0
Compound_771	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	0.99	1.0
Compound_772	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	0.99	1.0
Compound_773	[O-]C(=O)C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_774	[O-]S(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_775	OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.95	1.0
Compound_776	[O-]S(=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	0.98	1.0
Compound_777	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.2	0.0
Compound_778	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.2	0.0
Compound_779	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	0.24	0.0
Compound_780	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	0.24	0.0
Compound_781	FC(C(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_782	FC1(S(=O)(=O)[O-])C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.98	1.0
Compound_783	FC(C(C1(S(=O)(=O)[O-])C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F	0.97	1.0
Compound_784	FC(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F	0.98	1.0
Compound_785	FC(C(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F	0.98	1.0
Compound_786	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-]	0.19	0.0
Compound_787	CN(=O)(CCC[N-]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	0.24	0.0
Compound_788	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	0.99	1.0
Compound_789	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	0.99	1.0
Compound_790	[O-]S(=O)(=O)c1ccccc1CNS(=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	0.84	1.0
Compound_791	O=S(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NCc1ccccc1S(=O)(=O)[O-]	0.85	1.0
Compound_792	O=S(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)NCc1ccccc1S(=O)(=O)[O-]	0.85	1.0
Compound_793	O=S(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCc1ccccc1S(=O)(=O)[O-]	0.85	1.0
Compound_794	O=S(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCc1ccccc1S(=O)(=O)[O-]	0.84	1.0
Compound_795	FC1(F)C(F)(F)C(C(F)(F)F)(S(=O)(=O)[O-])C(C(C1(F)F)(F)F)(F)F	0.97	1.0
Compound_796	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(C(F)(F)F)S(=O)(=O)[O-])(F)F)(F)F)(F)F	0.97	1.0
Compound_797	FC(C(C(F)(F)F)(c1ccc(cc1)[O-])c1ccc(cc1)[O-])(F)F	0.99	1.0
Compound_798	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	0.26	0.0
Compound_799	FC1(COP(=O)(OP(=O)(OCC2(F)C(F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)O)O)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.14	0.0
Compound_800	COc1ccc(cc1N)C	0.99	1.0
Compound_801	CCOc1ccc(cc1)N	0.97	1.0
Compound_802	CCOc1ccccc1N	0.91	1.0
Compound_803	C[N+](c1ccccc1)(C)C	0.74	1.0
Compound_804	CCC=CCCOCCC#N	0.97	1.0
Compound_805	O=C1NCC2(C1)CCCCC2	0.04	0.0
Compound_806	CN(CC1CCCCC1=O)C	0.08	0.0
Compound_807	Cc1ccc2c(c1)C(=O)C(C2)C	0.99	1.0
Compound_808	OCCOCCOCCOCC	0.98	1.0
Compound_809	CN(C12CC3CC(C2)CC(C1)C3)C	0.12	0.0
Compound_810	C1CCC(CC1)NC1CCCCC1	0.29	0.0
Compound_811	CCOc1ccc(cc1)N(C(=O)C)C	0.85	1.0
Compound_812	CCNC(Cc1ccc(cc1)OC)C	0.09	0.0
Compound_813	CCCCCCCCN1CCCC1=O	0.82	1.0
Compound_814	OCCN1C(C)(C)CC(CC1(C)C)O	0.02	0.0
Compound_815	CCNCC(=O)Nc1c(C)cccc1C	0.05	0.0
Compound_816	C=CC(=O)OC1C[C@H]2C([C@]1(C)CC2)(C)C	0.89	1.0
Compound_817	CCCCC(COP(=O)([O-])[O-])CC	0.98	1.0
Compound_818	N=C(Nc1ccccc1)Nc1ccccc1	0.13	0.0
Compound_819	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N	0.01	0.0
Compound_820	OC(=O)CCC(=O)OCCOC(=O)C=C	0.6	1.0
Compound_821	COc1cc2CC(=O)NC=Cc2cc1OC	0.11	0.0
Compound_822	O=C=NCC1(C)CC(N=C=O)CC(C1)(C)C	0.41	0.0
Compound_823	CC(CC(C)(C)C)Cc1cc(C)cc(=O)o1	0.58	1.0
Compound_824	CC(=C)C(=O)OC1CC2C(C1(C)CC2)(C)C	0.83	1.0
Compound_825	CCCCC(C1OCCN1CCCC)CC	0.5	0.0
Compound_826	CCC(C(C(CCc1ccc(cc1)O)C)C)C	0.42	0.0
Compound_827	CC(=CCCC1=CCC(C(C1)(C)C(=O)C)C)C	0.51	1.0
Compound_828	CC(=O)C1(C)CC2=C(CC1C)CCCC2(C)C	0.95	1.0
Compound_829	CC(=CCCC1=CCC(C(C1)C)(C)C(=O)C)C	0.52	1.0
Compound_830	CCCCC(COC(=O)c1ccccc1O)CC	0.96	1.0
Compound_831	CCCCCCCCOc1ccccc1C(=O)O	0.96	1.0
Compound_832	CCCCCCCCCCCC(=O)N(CC(=O)O)C	0.13	0.0
Compound_833	O=C1CC[C@H]2C(=C1)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.17	0.0
Compound_834	COC(=O)c1ccc(cc1C1=NC(=O)C(N1)(C)C(C)C)C	0.16	0.0
Compound_835	O=C1CC[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=C1CCC1(C2)OCCO1	0.55	1.0
Compound_836	CCOC(=O)CC(OOC(CC)(C)C)(OOC(CC)(C)C)C	0.9	1.0
Compound_837	CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]([C@H](C1)N=N#N)NC(=O)C	0.03	0.0
Compound_838	OCCCCCCCCCC(=O)c1c(C)cc(c(c1O)OC)OC	0.8	1.0
Compound_839	CCCCOCCOCCOCc1cc2OCOc2cc1CCC	0.97	1.0
Compound_840	OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.22	0.0
Compound_841	CN(c1ccc(cc1)C(c1ccc(c2c1cccc2)Nc1ccccc1)(c1ccc(cc1)N(C)C)O)C	0.94	1.0
Compound_842	OC(=O)C(c1ccc(cc1)C(=O)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)(C)C	0.0	0.0
Compound_843	COC(=O)[C@H](O)C	0.74	1.0
Compound_844	CCOC(=O)OC	0.95	1.0
Compound_845	COCC(OC(=O)C)C	0.8	1.0
Compound_846	CCOCCOC(=O)C	0.99	1.0
Compound_847	CCCOC(=O)[C@@H](O)C	0.84	1.0
Compound_848	COC(COC(=O)C)C	0.72	1.0
Compound_849	CCCCOC(=O)CO	0.98	1.0
Compound_850	C=CC(=O)NC(CC(=O)C)(C)C	0.66	1.0
Compound_851	OCC1COC(O1)(C)CC(C)C	0.44	0.0
Compound_852	O=C(C(C)(C)C)OOC(C)(C)C	0.83	1.0
Compound_853	OC(=O)CCCCCCCC(=O)O	0.87	1.0
Compound_854	CCCC(C(=O)O)(C(=O)O)CCC	0.24	0.0
Compound_855	CO[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)C	0.71	1.0
Compound_856	OC(=O)CCCCCCCCC(=O)O	0.87	1.0
Compound_857	C(COCC1OC1)CCOCC1OC1	0.62	1.0
Compound_858	CC(OC(=O)CCC(=O)OC(C)C)C	0.63	1.0
Compound_859	CC(C(=O)OCCOc1ccccc1)C	0.96	1.0
Compound_860	COCCc1ccc(cc1)OCC1OC1	0.89	1.0
Compound_861	CCOC(=O)[C@@H](CCc1ccccc1)O	0.84	1.0
Compound_862	C=CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)[NH3+]	0.05	0.0
Compound_863	COC(=O)CCCCCCCCC(=O)OC	0.6	1.0
Compound_864	C(CCOCC1OC1)CCCOCC1OC1	0.62	1.0
Compound_865	CCCCOCCOCCOC(=O)C(=C)C	0.96	1.0
Compound_866	CC(=O)OCCOCCOCCOC(=O)C	0.91	1.0
Compound_867	CCC(OOC(=O)CC(CC(C)(C)C)C)(C)C	0.42	0.0
Compound_868	C=CCOC(=O)c1ccccc1C(=O)OCC=C	0.96	1.0
Compound_869	N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F	0.94	1.0
Compound_870	O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2	0.73	1.0
Compound_871	CCCCOC(=O)CCCCC(=O)OCCCC	0.96	1.0
Compound_872	CCCC(C(C(=O)OCC)(C(=O)OCC)CC)C	0.64	1.0
Compound_873	CCCCC(COC(=O)OOC(CC)(C)C)CC	0.85	1.0
Compound_874	CCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.68	1.0
Compound_875	CCCCCCCC(=O)c1ccc(c(c1)C(=O)O)O	0.51	1.0
Compound_876	COC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)OC	0.43	0.0
Compound_877	O=C(C1(CCCCC(C)(C)C)OO1)OC(CC(C)(C)C)(C)C	0.85	1.0
Compound_878	O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C	0.39	0.0
Compound_879	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)O)C)C	0.41	0.0
Compound_880	O[C@H]1CC[C@]2([C@](C1)(O)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1C2=O)C)C	0.18	0.0
Compound_881	O[C@H]1CC[C@]2(C(=C[C@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3[C@@H](O)CC2=O)C)O)C1)C	0.21	0.0
Compound_882	C1=CCC(CC1)C1OCC2(CO1)COC(OC2)C1CCC=CC1	0.69	1.0
Compound_883	CCCCCCCCCc1ccc(cc1)OCCOCC(=O)O	0.95	1.0
Compound_884	CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)N	0.02	0.0
Compound_885	CNC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N	0.0	0.0
Compound_886	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@@H]([C@H]2O)NC)[C@@H]2[C@H]([C@H]1O)OC1(O2)O[C@H]([C@H](CO)N)[C@@H]([C@H]([C@H]1O)O)O	0.0	0.0
Compound_887	OC[C@H]1N(C)C[C@@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_888	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)O[C@H]1[C@H](O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)[C@@H](N)C[C@H]([C@@H]1O)N	0.0	0.0
Compound_889	NCC1=CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N	0.0	0.0
Compound_890	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)N(N=O)C	0.02	0.0
Compound_891	OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](C[C@H]([C@H]3O[C@H]([C@@H]([C@@H]3O)O)n3ccc(=O)[nH]c3=O)O)[C@@H]([C@@H]([C@H]2NC(=O)/C=C/CCCCCCCCC(C)C)O)O)[C@H]([C@@H]([C@H]1O)O)NC(=O)C	0.01	0.0
Compound_892	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O)N)[C@@H]([C@H]([C@@H]1O)O)N	0.01	0.0
Compound_893	NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N	0.0	0.0
Compound_894	OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O	0.0	0.0
Compound_895	NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(C)C)Cc1ccccc1)CCC2)C(C)C)CCCN)C(C)C	0.03	0.0
Compound_896	NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)N)N	0.01	0.0
Compound_897	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H](C[C@H]1N)O)N	0.0	0.0
Compound_898	OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2N)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O	0.01	0.0
Compound_899	CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C	0.0	0.0
Compound_900	CN[C@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H](CC[C@H]2N)[C@@H](N)C)[C@H]([C@@H]([C@@H]1OC)O)N	0.01	0.0
Compound_901	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)CO)[C@H]([C@@H]([C@H]1O)O)NC	0.01	0.0
Compound_902	NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@@H]([C@H]1O)O)CO)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O	0.01	0.0
Compound_903	NCC(C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O	0.01	0.0
Compound_904	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)N=C(N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)NC	0.01	0.0
Compound_905	CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H](CC[C@H]1N)C(N)C)N	0.01	0.0
Compound_906	C/C(=C/COC(C(=O)O)COP(=O)(OC1OC(C(=O)N)C(C(C1OC1OC(C)C(C(C1NC(=O)C)O)OC1OC(C)C(C(C1NC(=O)C)O)OC1OC(C(=O)NC2=C(O)CCC2=O)C(C(C1O)O)O)OC(=O)N)O)O)/CC/C=C/C(CCC(=C)C/C=C(/CCC=C(C)C)\C)(C)C	0.08	0.0
Compound_907	NCCC(C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)CC[C@H]1N)O	0.01	0.0
Compound_908	NCC[C@H]([C@@H](CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)C(=CNC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CO)CO)[C@H]1CCN=C(N1)N)N)O	0.01	0.0
Compound_909	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)OC(=O)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC	0.0	0.0
Compound_910	CO[C@]1(NC(=O)[C@H](NC(=O)CC[C@H](C(=O)O)N)C)CN(C1=O)S(=O)(=O)O	0.06	0.0
Compound_911	NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O	0.03	0.0
Compound_912	N#CCSCC(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C	0.0	0.0
Compound_913	CO[C@@]1(NC(=O)C(c2ccc(cc2)O)C(=O)O)C(=O)N2[C@@H]1OCC(=C2C(=O)O)CSc1nnnn1C	0.0	0.0
Compound_914	ON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C=C	0.01	0.0
Compound_915	C/C=C/C1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N	0.0	0.0
Compound_916	CO[C@@]1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C	0.0	0.0
Compound_917	CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O	0.0	0.0
Compound_918	OCCn1nnnc1SCC1=C(C(=O)O)N2[C@H](OC1)[C@](C2=O)(OC)NC(=O)CSC(F)F	0.0	0.0
Compound_919	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)C=Cc1scnc1C	0.01	0.0
Compound_920	COCC1=C(C(=O)OC(OC(=O)OC(C)C)C)N2[C@H](SC1)[C@@H](C2=O)NC(=O)C(=NOC)c1csc(n1)N	0.0	0.0
Compound_921	CC/C=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)COC(=O)N	0.01	0.0
Compound_922	CON=C(c1ccco1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(OC(=O)C)C)COC(=O)N	0.01	0.0
Compound_923	O=C([C@@H](c1ccccc1)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CS(=O)(=O)O	0.02	0.0
Compound_924	CO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccn2c1cccn2	0.0	0.0
Compound_925	Oc1ccc(cc1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)NC(=O)c1cnc(cc1O)C	0.0	0.0
Compound_926	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nncs1)Cn1cnnn1	0.01	0.0
Compound_927	CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)[C@@H](O)C	0.0	0.0
Compound_928	CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cnns1)/c1csc(n1)N	0.0	0.0
Compound_929	CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N	0.0	0.0
Compound_930	NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O	0.01	0.0
Compound_931	CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C=Cc1scnc1C)c1csc(n1)N	0.0	0.0
Compound_932	CC/C=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N	0.0	0.0
Compound_933	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)C	0.01	0.0
Compound_934	O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cnn[nH]1	0.01	0.0
Compound_935	COC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](C1=CCC=CC1)N	0.0	0.0
Compound_936	O=C([C@@H](c1ccccc1)NC(=O)c1[nH]cnc1C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)CCS(=O)(=O)O	0.01	0.0
Compound_937	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)Cc1ccccc1	0.0	0.0
Compound_938	OCCn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\OC)/c1csc(n1)N	0.01	0.0
Compound_939	CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cn1nnc(n1)C)\c1csc(n1)N	0.0	0.0
Compound_940	Oc1ccc(cc1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)N	0.01	0.0
Compound_941	O=CCn1c(S/C=C/C2=C(C(=O)O)N3[C@H](SC2)[C@@H](C3=O)NC(=O)/C(=N\OC)/c2csc(n2)N)n[nH]c(=O)c1=O	0.0	0.0
Compound_942	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)Cn1nnc(n1)C	0.02	0.0
Compound_943	COCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)C(=NO)c1csc(n1)N	0.0	0.0
Compound_944	CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)c1c(C)onc1c1ccccc1Cl	0.01	0.0
Compound_945	O=C([C@@H](c1ccccc1)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C	0.0	0.0
Compound_946	CN(CCn1nnnc1SCC1=C(C(=O)OC(OC(=O)OC2CCCCC2)C)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1csc(n1)N)C	0.01	0.0
Compound_947	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)Cc1ccc(cc1)C1=NCCCN1	0.0	0.0
Compound_948	FCON=C(c1nsc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])/C=C/C[N+](CC(=O)N)(CC)C	0.01	0.0
Compound_949	CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)c1ccco1	0.0	0.0
Compound_950	O=C([C@@H](c1cccc(c1)NS(=O)(=O)C)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C	0.03	0.0
Compound_951	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1ncn[nH]1)Cc1cccs1	0.03	0.0
Compound_952	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)CCCC(C(=O)O)N	0.0	0.0
Compound_953	O=C([C@@H](c1ccccc1)OC(=O)[C@@H](N)C)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCc1oc(=O)oc1C)CSc1nnc(s1)C	0.01	0.0
Compound_954	N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)C	0.01	0.0
Compound_955	O=C1NCCC1O/N=C(/c1cnc(s1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccccc1	0.0	0.0
Compound_956	N#CC=CSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C	0.01	0.0
Compound_957	O=C([C@@H](c1ccc(c(c1)Cl)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C	0.0	0.0
Compound_958	CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(OC(=O)C(OC)(C)C)C)COC(=O)N)c1ccco1	0.01	0.0
Compound_959	CO/N=C(\c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N	0.01	0.0
Compound_960	COC(=Cc1ccc(cc1)O)C(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@](C2=O)(OC)NC(=O)CCC[C@H](C(=O)O)N	0.01	0.0
Compound_961	COC(=Cc1ccc(cc1)OS(=O)(=O)O)C(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@](C2=O)(OC)NC(=O)CCC[C@H](C(=O)O)N	0.05	0.0
Compound_962	OC(=O)C(c1ccc(c(c1)O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O	0.0	0.0
Compound_963	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1S(=O)CC(=C2C(=O)O)COC(=O)C	0.0	0.0
Compound_964	O=C(C(c1ccccc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_965	C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O	0.01	0.0
Compound_966	C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)O)S[C@H]1CCN(C1)C(=N)C)O	0.01	0.0
Compound_967	CNC(=O)C[C@H](C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)N	0.01	0.0
Compound_968	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=CN1CCCCCC1	0.01	0.0
Compound_969	O=C(C(C(=O)Oc1ccccc1)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_970	O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C	0.01	0.0
Compound_971	NC(=O)OCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C	0.01	0.0
Compound_972	N[C@H](C1=CCC=CC1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_973	C=N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.02	0.0
Compound_974	O=C([C@H](S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.06	0.0
Compound_975	O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)CCC[C@H](C(=O)O)N	0.0	0.0
Compound_976	O=C(C(C(=O)Oc1ccc2c(c1)CCC2)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.0	0.0
Compound_977	C=CCSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.0	0.0
Compound_978	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1nc2ccccc2nc1C(=O)O	0.02	0.0
Compound_979	COC(c1ccc(c(c1)Cl)Cl)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.04	0.0
Compound_980	CC(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc1ccccc1	0.01	0.0
Compound_981	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N1C(=O)C(NC1(C)C)c1ccccc1	0.0	0.0
Compound_982	O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Cc1ccc(cc1)O	0.0	0.0
Compound_983	O=C(C(Oc1ccccc1)(C)C)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_984	O=C([C@@H](c1ccc(cc1)O)NC(=O)N1CCN(C1=O)/N=C/c1ccco1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_985	CCN(CCOC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(OC)cccc1OC)CC	0.01	0.0
Compound_986	O=C(C(c1ccccc1)Oc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.0	0.0
Compound_987	O=CN[C@@]1(NC(=O)[C@@H](c2ccc(c(c2)O)O)NC(=O)N2CCN(C(=O)C2=O)CC)C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_988	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N1C(=O)[C@H](NC1(C)C)c1ccc(cc1)O	0.01	0.0
Compound_989	CCCCSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.0	0.0
Compound_990	Clc1ccc(cc1)OC(C(=O)NC(C(=O)N[C@H]1C(=O)N2[C@H]1SC([C@H]2C(=O)O)(C)C)c1ccccc1)(C)C	0.03	0.0
Compound_991	CCCCCCCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.0	0.0
Compound_992	CC(=O)N/C=C/S(=O)C1=C(C(=O)O)N2[C@H](C1)[C@@H](C2=O)C(OS(=O)(=O)O)(C)C	0.13	0.0
Compound_993	CC(=O)N/C=C/S(=O)C1=C(C(=O)O)N2[C@H](C1)[C@@H](C2=O)C(O)(C)C	0.01	0.0
Compound_994	O=C(CC12CC3CC(C1)CC(C2)(C3)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_995	O=C(N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1)Cc1ccc(cc1)C1=NCCCN1	0.0	0.0
Compound_996	CC(C[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)OC(=O)c1ccco1)C	0.0	0.0
Compound_997	O=C(C(c1ccccc1)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)OC1OC(=O)c2c1cccc2)(C)C	0.01	0.0
Compound_998	O=C([C@@H](c1ccc(cc1)O)/N=C/c1ccco1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_999	COc1cc(Cc2c[nH]c(=N)[nH]c2=N)c(cc1OC)C	0.24	0.0
Compound_1000	CC[C@@H]1CCN[C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C	0.02	0.0