Index	SMILES	Probability	Label
Compound_1	O=C(CC(=C)C(=O)OCCCS(=O)(=O)[O-])OCCCS(=O)(=O)[O-]	0.6	1.0
Compound_2	O=C(CC(=O)CC(=O)O)CC(=O)CC(=O)O	0.19	0.0
Compound_3	O=C1NC(=O)C(C(=O)N1)(Cc1ccccc1)c1ccccc1	0.18	0.0
Compound_4	COCCOCCOc1ccc(cc1N)N	0.47	0.0
Compound_5	S=C(Nc1ccc(cc1N(C)C)N(C)C)Nc1ccc(cc1N(C)C)N(C)C	0.62	1.0
Compound_6	CC(Cc1cc(C)cc(c1O)C1CCCC1)C	0.44	0.0
Compound_7	Oc1cc(cc2c1OC(C2)(C)C)C(C)(C)C	0.97	1.0
Compound_8	Oc1cc(C2CCCC2)c(cc1C1CCCC1)O	0.98	1.0
Compound_9	Oc1c(cccc1C1CCCC1)C1CCCCCCC1	0.98	1.0
Compound_10	Oc1ccc(c(c1C1CCCCCCC1)C1CCCCCCC1)O	0.98	1.0
Compound_11	C=CCOC(=O)N[C@H](c1ccc(c(c1)Cl)O)C(=O)O	0.3	0.0
Compound_12	COc1ccc2c(c1)c1ccc(c(c1[nH]2)C)CCN(C(=O)C)Cc1ccccc1	0.16	0.0
Compound_13	COc1ccc2c(c1)c1ccc(c(c1[nH]2)C)CCN(C(=O)C)C	0.4	0.0
Compound_14	C=CCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.42	0.0
Compound_15	Clc1ccc(c(c1)Cl)C(=O)C(=O)N	0.45	0.0
Compound_16	CC(OC(=O)CCC(=O)c1ccc(cc1)N)C	0.27	0.0
Compound_17	CCC(=O)c1cc(O)ccc1O	0.99	1.0
Compound_18	CN(c1ncnc2c1[nH]cn2)C	0.05	0.0
Compound_19	Nc1nc2c(s1)cc(cc2)C(=O)O	0.73	1.0
Compound_20	O=CNc1cc(Cl)ccc1Sc1ccccc1N(=O)=O	0.8	1.0
Compound_21	C=CCOC(=O)c1ccc(cc1OCC=C)Cl	0.91	1.0
Compound_22	CCCc1cc(Cl)ccn1	0.89	1.0
Compound_23	CCCCC(=O)OCCCC1CCCCC1	0.99	1.0
Compound_24	CC(CC(=O)OCCCC1CCCCC1)C	0.97	1.0
Compound_25	CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_26	CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_27	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_28	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_29	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_30	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_31	Cc1ccc(cc1)COC(=O)C(=C)C	0.9	1.0
Compound_32	SCCC(=O)OCc1ccco1	0.79	1.0
Compound_33	CCOCC(COCC)(CO)CC	0.27	0.0
Compound_34	CCCc1cc(Cc2ccc(cc2)N)cc(c1N)C(C)C	0.21	0.0
Compound_35	Nc1ccccc1Cc1cc(C(C)C)c(c(c1)C(C)C)N	0.99	1.0
Compound_36	CCc1cc(Cc2ccc(c(c2)Cc2ccc(cc2)N)N)cc(c1N)CC	0.89	1.0
Compound_37	CCc1cc(Cc2cc(ccc2N)Cc2ccc(cc2)N)cc(c1N)CC	0.89	1.0
Compound_38	CC(c1cc(Cc2cccc(c2N)C)cc(c1N)C(C)C)C	0.97	1.0
Compound_39	Nc1ccc(cc1)Cc1cc(ccc1N)Cc1ccc(c(c1)C(C)C)N	0.93	1.0
Compound_40	Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(c(c1)C(C)C)N)N	0.93	1.0
Compound_41	Nc1ccc(cc1)Cc1cccc(c1N)C(C)C	0.98	1.0
Compound_42	Nc1ccc(cc1)Cc1cc(ccc1N)Cc1cc(C(C)C)c(c(c1)C(C)C)N	0.97	1.0
Compound_43	Nc1ccc(cc1)Cc1ccc(c(c1)Cc1cc(C(C)C)c(c(c1)C(C)C)N)N	0.97	1.0
Compound_44	COCN(C(=O)OC)CO	0.77	1.0
Compound_45	COCCOCCOc1cc(N)ccc1N	0.49	0.0
Compound_46	CC(=CC(=O)C1=C(C)CC(CC1)(C)C)C	0.95	1.0
Compound_47	COc1cc(Cl)c(c(c1Cl)Cl)Cl	0.99	1.0
Compound_48	CNC(=O)N(c1ccccc1)C	0.61	1.0
Compound_49	OCCCCCCCC(=O)OCC	0.96	1.0
Compound_50	CCCCCC(OCCCC)OCCCC	0.95	1.0
Compound_51	CCCCCCOCC(=O)C=O	0.9	1.0
Compound_52	CC(=O)Nc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1cccc(c1C2=O)S(=O)(=O)O)N)S(=O)(=O)O	0.82	1.0
Compound_53	CC(c1cccc(c1O)C1CCCC1)C	0.86	1.0
Compound_54	Oc1c(cccc1C(C)(C)C)C1CCCC1	0.82	1.0
Compound_55	Oc1c(Cl)cc2c(c1Cl)C(C)(C)CC2(C)C	0.98	1.0
Compound_56	CC(Cc1cc2c(cc1O)C(CC2(C)C)(C)C)C	0.99	1.0
Compound_57	Oc1c(cc(cc1C1CCCC1)C(C)(C)C)C1CCCC1	0.8	1.0
Compound_58	CC(c1c(O)c(cc2c1C(C)(C)CC2(C)C)C(C)C)C	0.99	1.0
Compound_59	CC(c1cc2c(cc1O)C(CC2(C)C)(C)C)C	1.0	1.0
Compound_60	Oc1cc2c(cc1C1CCCC1)C(CC2(C)C)(C)C	0.73	1.0
Compound_61	COCCCCC(=C)CC(C)C	0.56	1.0
Compound_62	COCCCCC(=C1CCCCC1)C	0.77	1.0
Compound_63	COCCCCC(=C)C1CCCCC1	0.95	1.0
Compound_64	CCCCCCCCCCCCc1ccc(cc1)CN(C(C)(C)C)CCOC(=O)C(=C)C	0.18	0.0
Compound_65	CCCCCCCCCCCCCCN(C(C)(C)C)CCOC(=O)C(=C)C	0.49	0.0
Compound_66	CCc1cc(ccc1N(Cc1ccccc1)Cc1ccccc1)N(=O)=O	0.87	1.0
Compound_67	CCOC(=O)COc1ccccc1C(C)(C)C	0.36	0.0
Compound_68	Cc1ccccc1Oc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.64	1.0
Compound_69	Nc1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1C	0.41	0.0
Compound_70	CC(OCCCNS(=O)(=O)c1ccc(c(c1)N)O)C	0.06	0.0
Compound_71	CC(NS(=O)(=O)c1ccc(c(c1)N(=O)=O)O)C	0.3	0.0
Compound_72	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC	0.95	1.0
Compound_73	CCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC	0.95	1.0
Compound_74	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC	0.95	1.0
Compound_75	OCCN(c1ccccc1)C	0.42	0.0
Compound_76	O=CCC[C@@H](C=C)C	0.94	1.0
Compound_77	O=Cc1cc(C(C)C)c(c(c1)Cl)O	0.99	1.0
Compound_78	Clc1ccc(c2c1C(C)(C)CC2)O	0.73	1.0
Compound_79	COc1ccc(c2c1CCC2(C)C)O	0.63	1.0
Compound_80	CCCCCCCCCCCCc1ccc2c(c1O)cccc2	0.85	1.0
Compound_81	CCOC(=O)COc1ccccc1C	0.95	1.0
Compound_82	O=C(Oc1c(=O)ccoc1C)C=C(C)C	0.54	1.0
Compound_83	CC(=O)OC1(CCCCC1)CCC1CCCCC1	0.95	1.0
Compound_84	CCCCCCC(=O)Oc1ccc(cc1OC)CC=C	0.93	1.0
Compound_85	Oc1ccc(cc1)Nc1cc(C)c(cc1N)N	0.94	1.0
Compound_86	O=C(N1CCCC1)CCCCCCCCCCN1CCCC1	0.59	1.0
Compound_87	CCOC(=O)CCCCCCCOC(=O)C	0.86	1.0
Compound_88	O=C1CCC(=C2CCCC2)C1	0.73	1.0
Compound_89	OC(=O)CCSc1[nH]c(N)nc2c1ncn2	0.08	0.0
Compound_90	O=c1oc2ccccc2cc1O	0.94	1.0
Compound_91	O=C(Cc1c(O)c(C)c(c(c1C)NS(=O)(=O)c1ccccc1)C)NCCCCOc1ccc(cc1C(C)(C)C)C(C)(C)C	0.08	0.0
Compound_92	CCOC(=O)CC(=N)NNc1c(C)cc(cc1Cl)C	0.04	0.0
Compound_93	c1ccc(cc1)c1ccncc1	0.99	1.0
Compound_94	O=C(c1ccccc1C(=O)O)c1ccc(c(c1)N(=O)=O)N	0.56	1.0
Compound_95	O=C(CN1C(=O)c2c(C1=O)cccc2)NCC(=O)NCC(=O)O	0.0	0.0
Compound_96	CCCCCCC(C1=NCCN1CCN)(C)C	0.1	0.0
Compound_97	CCc1ccc2c(c1)cccc2	0.98	1.0
Compound_98	CC(=O)CC(OC(=O)C(=C)C)(C)C	0.65	1.0
Compound_99	OCCOC(CN(C)C)CN(C)C	0.23	0.0
Compound_100	O=C1c2c(ccc(c2C(=O)c2c1c(ccc2)NC(=O)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	0.55	1.0
Compound_101	OC(=O)c1c(cccc1C(=O)O)C(=O)C	0.23	0.0
Compound_102	O=C1CCCc2c1cc1c(c2)C(C)(C)CCC1(C)C	0.98	1.0
Compound_103	Nc1ccc(c(c1C)O)O	0.82	1.0
Compound_104	NCCNCCNCc1c(CNCCNCCN)cccc1O	0.03	0.0
Compound_105	NCCNCCNCc1cc(CNCCNCCN)c(c(c1)CNCCNCCN)O	0.03	0.0
Compound_106	CCOC(=O)C(=Cc1c[nH]c2c1cc(Br)cc2)C(=O)OCC	0.53	1.0
Compound_107	Nc1c(OCCOc2ccccc2)c(OCCOc2ccccc2)c(c2c1C(=O)c1cccc(c1C2=O)S(=O)(=O)O)N	0.81	1.0
Compound_108	CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN	0.54	1.0
Compound_109	OCCCCCOC(=O)CCBr	0.88	1.0
Compound_110	FC(=O)OCc1ccccc1	0.94	1.0
Compound_111	CCCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C	0.5	0.0
Compound_112	OS(=O)(=O)c1cc(cc2c1cc(N=Nc1ccc(cc1NC(=O)N)Nc1nc(Nc3ccc(c(c3)S(=O)(=O)O)c3ccc(cc3S(=O)(=O)O)Nc3nc(Cl)nc(n3)Nc3ccc(c(c3)NC(=O)N)N=Nc3cc4c(cc3S(=O)(=O)O)cc(cc4S(=O)(=O)O)S(=O)(=O)O)nc(n1)Cl)c(c2)S(=O)(=O)O)S(=O)(=O)O	0.94	1.0
Compound_113	CC(=C)OC(=O)C(=C)C	0.81	1.0
Compound_114	C=CC(=O)NCOCCN1CCNC1=O	0.12	0.0
Compound_115	CCOC(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)OCC	0.82	1.0
Compound_116	CCOC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Cl	0.93	1.0
Compound_117	Cc1cc(C)c(c(c1)C)C(=O)n1ccnc1c1ccccc1	0.16	0.0
Compound_118	Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C	0.45	0.0
Compound_119	COc1cc(Cl)c(cc1SCC(=O)O)OC	0.71	1.0
Compound_120	BrCCCc1ccc(cc1Cl)Cl	0.87	1.0
Compound_121	Clc1ccc(cc1)C(=O)CCc1cc(Cl)ccc1O	0.61	1.0
Compound_122	CCOc1cccc2c1c1nn3c4c1c(c2OS(=O)(=O)[O-])ccc4c1c2c3c(cc3c2c(cc1)c(c1c3cccc1)OS(=O)(=O)[O-])C(C)C	0.95	1.0
Compound_123	CC(=O)C(CC1CCCCC1)(C)C	0.95	1.0
Compound_124	ClCCC(=O)Nc1ccc(cc1Nc1ccccc1)Cl	0.73	1.0
Compound_125	COC(C1CCCCCC1)(C)C	0.75	1.0
Compound_126	CCOC(C(Cc1ccccc1)(C)C)OCC	0.86	1.0
Compound_127	C=CC(=O)NCN1C(=O)NC(=O)C1(C)C	0.11	0.0
Compound_128	NCCNCCNCCCCCCC(C)C	0.43	0.0
Compound_129	CC(CCCCCCNCC(C)C)C	0.73	1.0
Compound_130	CC(CCCCCCNC1CCCCC1)C	0.4	0.0
Compound_131	CC(CCCCCCN(CC(C)C)CC(C)C)C	0.76	1.0
Compound_132	C=CCCCCCCCCC(=O)O[C@@H]([C@H]1OC[C@@H]([C@H]1O)O)CO	0.84	1.0
Compound_133	CCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	0.58	1.0
Compound_134	CCCCCCC(CCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]1[C@H](OC(=O)CCCCCCCCCCC(CCCCCC)O)CO)OC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.57	1.0
Compound_135	OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)OC(=O)C	0.5	0.0
Compound_136	CCC(=O)N1c2cc(ccc2Sc2c1cccc2)C(=O)CC	0.5	0.0
Compound_137	COCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC	0.08	0.0
Compound_138	COCCCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NCCCOC	0.03	0.0
Compound_139	CC(=O)Nc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1c(C2=O)cccc1S(=O)(=O)O)N)S(=O)(=O)O	0.82	1.0
Compound_140	CCN(c1ccc(c(c1)O)C(c1ccc(cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(cc1O)N(CC)CC)CC	0.95	1.0
Compound_141	CCCCCCCCN(c1ccc(cc1)OC)C=O	0.64	1.0
Compound_142	ClC1=C(Nc2ccc(c(c2)S(=O)(=O)O)Nc2ccccc2)C(=O)C(=C(C1=O)Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)Cl	0.31	0.0
Compound_143	O=CN[C@@H](C(=O)O)CCCNC(=O)N	0.04	0.0
Compound_144	CCOC(=O)[C@@H](CCCNC(=O)N)N	0.24	0.0
Compound_145	O=CN[C@H](C(=O)O)CCCNC(=N)N	0.04	0.0
Compound_146	COC(=O)[C@@H](CCCNC(=O)N)N	0.05	0.0
Compound_147	Clc1ccc(c(c1)Cl)OC(O)(C)C	0.98	1.0
Compound_148	CON1CCOCC1	0.81	1.0
Compound_149	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)CCN1CC1)CC	0.19	0.0
Compound_150	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)CCN1CC1)CO	0.06	0.0
Compound_151	C[C@@H]1CC[C@H](C(C1)[C@@]1(CC=CC=C1O)C(=O)[O-])C(C)C	0.06	0.0
Compound_152	CCCCCCCCCCCCCCCCCCOC(=O)C(C(C(=O)OCCCCCCCCCCCCCCCC)O)O	0.38	0.0
Compound_153	CC(=O)OCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(cc1)Cl	0.17	0.0
Compound_154	CCCOC(=O)C(=Cc1ccc(cc1)OC)C#N	0.88	1.0
Compound_155	O=C(C(C)C)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](O1)COC1(c2ccccc2)c2ccccc2Oc2c1cccc2)O	0.0	0.0
Compound_156	COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H](C[C@@H]1OC(=O)c1ccccc1)n1cc(C)c(=O)[nH]c1=O	0.02	0.0
Compound_157	O=C(c1ccccc1)OC(=O)c1ccccc1	0.89	1.0
Compound_158	N#Cc1ccc(c(c1)N(=O)=O)Cl	0.94	1.0
Compound_159	CCCCOCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C	0.98	1.0
Compound_160	OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)OC(=O)C(O)C	0.52	1.0
Compound_161	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCC)O)CO	0.8	1.0
Compound_162	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC)CO	0.45	0.0
Compound_163	Nc1ccc(cc1)C(=O)c1cccc2c1cccc2	0.99	1.0
Compound_164	OC[C@H]([C@H]([C@@H]([C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)O)O)O)O	0.04	0.0
Compound_165	CC(=O)OC12CCC(C2)CC1	0.92	1.0
Compound_166	CCCCOCCOP(OCCOCCCC)OCCCCCCCCCCC(C)C	0.98	1.0
Compound_167	CCC(c1ccc(cc1)Oc1ccccc1N(=O)=O)(C)C	0.99	1.0
Compound_168	Cc1ccccc1Oc1ccc(c(c1)Oc1ccccc1C)N(=O)=O	0.95	1.0
Compound_169	O[C@@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)COC(=O)CN(C(C)C)C(C)C	0.01	0.0
Compound_170	C=CCOCCCc1ccccc1	0.96	1.0
Compound_171	CCCCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCCCC	0.97	1.0
Compound_172	CCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCC	0.97	1.0
Compound_173	CCCCCCOC(Cc1ccccc1)OCCCCCC	0.97	1.0
Compound_174	CCN(c1ccc(cc1)N=Nc1snc2c1cc(cc2)N(=O)=O)CCOC(=O)CC(=O)C	0.41	0.0
Compound_175	C=CCOc1ccc(cc1C)C	0.98	1.0
Compound_176	CCC(=O)OCCCCCCCCCCC(C)C	0.92	1.0
Compound_177	CC(=C)C(=O)c1ccc(c(c1)O)C(=O)c1ccccc1	0.99	1.0
Compound_178	CCCCC(C(=O)OCC(OC(=O)C(CCCC)CC)C)CC	0.3	0.0
Compound_179	BrCc1c(C)cc(c(c1C)O)C(C)(C)C	0.92	1.0
Compound_180	O=CN1CCc2c(C1)cccc2O	0.04	0.0
Compound_181	ClCCCCOc1c(C)nc(c2c1COC2)Cc1ccccc1	0.65	1.0
Compound_182	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOc1ccccc1CCCCCCCCC	0.98	1.0
Compound_183	O=N(=O)c1ccc(cc1)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O	0.98	1.0
Compound_184	COCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.23	0.0
Compound_185	Cc1cc(c(c(c1C)CN1CCOCC1)O)C(C)(C)C	0.03	0.0
Compound_186	Oc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)N	0.93	1.0
Compound_187	O=C1c2ccccc2c2c3c1cc1[nH]c4c5c1c3c(cc2)c1c5c2c(c4)C(=O)c3c(c2cc1)cccc3	0.97	1.0
Compound_188	C=CC(=O)OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC(=O)C=C	0.99	1.0
Compound_189	C=CC(=O)NCN1C(=O)NC(C1=O)(C)C	0.1	0.0
Compound_190	CCCCCCCCCCCCO[C@@H]([C@H]([C@@H]([C@@H](OCCCCCCCCCCCC)CO)O)OCCCCCCCCCCCC)CO	0.64	1.0
Compound_191	COC(=O)c1ccc(cc1)OC(C(F)F)(F)F	0.87	1.0
Compound_192	OS(=O)(=O)c1cc(ccc1C(c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)O	0.48	0.0
Compound_193	Clc1c2=Nc3cc(c(cc3Oc2c(c2=Nc3c(Oc12)cc(Nc1ccccc1)c(c3)S(=O)(=O)O)Cl)Nc1ccccc1)S(=O)(=O)O	0.58	1.0
Compound_194	CCCCCCCCCCCCCCCCOc1ccccn1	0.78	1.0
Compound_195	CCc1ccc(c(c1)NC(=O)c1ccc(cc1)Cl)O	0.71	1.0
Compound_196	Cc1ccc(cc1)S(=O)(=O)OCCCCc1ccc(cc1)Cl	0.96	1.0
Compound_197	COc1c(OC)ccc(c1Cl)CCl	0.93	1.0
Compound_198	OCC1(COCO)COCOC1	0.81	1.0
Compound_199	C=CC(=O)NCCCCCCCCCCCCS(=O)(=O)O	0.09	0.0
Compound_200	CCOCCN(CCCN(C)C)C	0.62	1.0
Compound_201	CCCOC(=O)C(c1ccccc1)(c1ccccc1)O	0.97	1.0
Compound_202	O=C(c1ccccc1O)OC(C(Cl)(Cl)Cl)(C)C	0.79	1.0
Compound_203	CCCCCCCCCCCCCCCC(=O)NCCN(C(=O)C)CCOC(=O)C	0.18	0.0
Compound_204	NC(=O)c1ccccc1Sc1ccccc1C(=O)N	0.17	0.0
Compound_205	COCCNC(=O)COc1cc(C(=O)O)c(c2c1cccc2)O	0.04	0.0
Compound_206	OOC(=O)c1ccc(cc1)OC	0.37	0.0
Compound_207	CC(=O)OCC1=C(C)CCCC1(C)C	0.96	1.0
Compound_208	CCCCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	0.63	1.0
Compound_209	Cc1c(Sc2cc(c(c(c2C)C)O)C(C)(C)C)cc(c(c1C)O)C(C)(C)C	0.93	1.0
Compound_210	Cc1cc(c(c(c1O)Cc1c(O)c(C)cc(c1C)C(C)(C)C)C)C(C)(C)C	0.98	1.0
Compound_211	Clc1nc(nc(n1)Cl)Nc1ccc(c2c1c(ccc2)S(=O)(=O)O)N=Nc1cc(C)c(cc1C)N=Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O	0.97	1.0
Compound_212	O=C1c2c(NCCC[N+](C)(C)C)ccc(c2C(=O)c2c1cccc2)NCCC[N+](C)(C)C	0.01	0.0
Compound_213	Clc1nc(Cl)nc(n1)Nc1ccc(c(c1)S(=O)(=O)O)Nc1cc2N=c3c(Cl)c4Oc5c(N=c4c(c3Oc2c(c1)S(=O)(=O)O)Cl)ccc(c5S(=O)(=O)O)Nc1ccc(cc1S(=O)(=O)O)Nc1nc(Cl)nc(n1)Cl	0.82	1.0
Compound_214	CCCc1cnc(cn1)c1ccccc1	0.85	1.0
Compound_215	CC(=O)OCCc1ncsc1C	0.74	1.0
Compound_216	CCC(=O)OCCc1ncsc1C	0.66	1.0
Compound_217	O=C(C(C)C)OCCCC1CCCCC1	0.96	1.0
Compound_218	CC(COC(=O)CCC1CCCCC1)C	0.97	1.0
Compound_219	CC(COC(=O)CC(C)(C)C)C	0.85	1.0
Compound_220	CCCCCCCCCCCCOC(=O)c1cc(N(=O)=O)c(c(c1)N(=O)=O)Cl	0.96	1.0
Compound_221	CC(CC(=O)Oc1c(=O)ccoc1C)C	0.34	0.0
Compound_222	CC1=C(C)CC2C(C1)COC(C2)(C)C	0.27	0.0
Compound_223	CC(C1CCC2(CC1)OCCCCO2)(C)C	0.47	0.0
Compound_224	CCCCCCCCCCCCCCCC(=O)OCCOCCOc1ccccc1CCCCCCCCC	0.98	1.0
Compound_225	CC(c1cc(C2CCCC2)c(c(c1O)C1CCCC1)C)C	0.61	1.0
Compound_226	Cc1ccc(c(c1C1CCCC1)O)C(C)C	0.65	1.0
Compound_227	CC(c1c(cc(c(c1O)C(C)C)C)C(C)C)C	0.99	1.0
Compound_228	Cc1cc(C(C)C)c(c(c1C1CCCC1)O)C1CCCC1	0.61	1.0
Compound_229	O=C(c1cc(N)c2c(c1O)cccc2)NCCCCOc1ccc(cc1C(C)(C)C)C(C)(C)C	0.02	0.0
Compound_230	COc1cc(N)c(cc1c1ccccc1)OC	0.98	1.0
Compound_231	Clc1ccccc1CCCc1ccccn1	0.89	1.0
Compound_232	Clc1ccc(cc1)CCCc1ccccn1	0.83	1.0
Compound_233	O=C(C(C)C)Oc1coccc1=O	0.3	0.0
Compound_234	CCC1(CC)C(=O)NC(=O)N(C1=O)C1=CCCCC1	0.05	0.0
Compound_235	CC(C1OCCO1)(Cc1ccccc1)C	0.69	1.0
Compound_236	FC(c1ccccc1CCN1CCNCC1)(F)F	0.01	0.0
Compound_237	COc1cccc(c1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O	0.93	1.0
Compound_238	CCCCOC(=O)Cc1cscc1	0.99	1.0
Compound_239	CC(COC(=O)Cc1cscc1)C	0.94	1.0
Compound_240	S=C(Nc1ccc(cc1)O)SSC(=S)Nc1ccc(cc1)O	0.92	1.0
Compound_241	CCCCCCCCC(OCCCCCCC)OCCCCCCC	0.95	1.0
Compound_242	BrCCC(=O)OCCCCCOC(=O)C=C	0.97	1.0
Compound_243	OC(=O)c1ccc(cc1)OCCOc1ccc(cc1Cl)C(=O)O	0.67	1.0
Compound_244	OC(=O)c1ccc(c(c1)Cl)OCCOc1c(Cl)cc(cc1Cl)C(=O)O	0.72	1.0
Compound_245	COC(=O)c1ccc(c(c1)Cl)OCCOc1c(Cl)cc(cc1Cl)C(=O)OC	0.9	1.0
Compound_246	CCOC(=O)c1ccccc1N(CC)CC	0.63	1.0
Compound_247	CCCCCCCCCCCC(=O)N(CC(=O)OCc1occ(c(=O)c1)O)C	0.32	0.0
Compound_248	C#CCCCCCCCCC(=O)OCC	0.99	1.0
Compound_249	CCCCCCC(=O)Nc1ccc(c(c1)C(=O)C)O	0.16	0.0
Compound_250	Nc1cc(ccc1Sc1ccc(cc1C(=O)c1ccccc1)N(=O)=O)N(=O)=O	0.95	1.0
Compound_251	NCCNCc1c(CNCCN)cccc1O	0.03	0.0
Compound_252	NCCNCc1ccc(c(c1CNCCN)CNCCN)O	0.04	0.0
Compound_253	CCCCCCC(C(=O)N(CCO)CCO)(C)C	0.37	0.0
Compound_254	CCCCCCCCCCCC(=O)OC[C@@H]([C@H]([C@@H]([C@H](OC(=O)CCCCCCCCCCC)CO)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	0.3	0.0
Compound_255	CCCCCCCCCCCCCCCC(=O)O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)COC(=O)C	0.41	0.0
Compound_256	C=CCO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_257	O=C(C=Cc1ccccc1)NCCN1CCNCC1	0.02	0.0
Compound_258	CCN(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)CC	0.51	1.0
Compound_259	CCCCCCCCCCCCCCCCCCOC(=O)C(C(C(=O)O)O)O	0.33	0.0
Compound_260	C=CCCCCCCCCC(=O)O[C@@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCCCC=C)OC(=O)CCCCCCCCC=C)CO	0.79	1.0
Compound_261	CC(COCc1ccccc1)C	0.84	1.0
Compound_262	OC(=O)COc1ccc(cc1)C	0.92	1.0
Compound_263	CCCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	0.11	0.0
Compound_264	CCCCCCCCC=CCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	0.06	0.0
Compound_265	OC[C@H]([C@H]([C@@H]([C@H](C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N)O)O)O)O	0.03	0.0
Compound_266	NCCCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	0.02	0.0
Compound_267	OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCCCC[C@@H](C(=O)O)N)O)O)O)O	0.02	0.0
Compound_268	OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O	0.02	0.0
Compound_269	OC[C@H]([C@H]([C@@H]([C@H](C(=O)N[C@H](C(=O)O)CS)O)O)O)O	0.04	0.0
Compound_270	OC[C@H]([C@H]([C@@H]([C@H](C(=O)Nc1ccccc1N)O)O)O)O	0.03	0.0
Compound_271	OC[C@H]([C@H]([C@@H]([C@H](C(=O)NNC=NCCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O	0.02	0.0
Compound_272	OC[C@H]([C@H]([C@@H]([C@H](C(=O)N[C@H](C(=O)O)C(C)C)O)O)O)O	0.02	0.0
Compound_273	O=Cc1cccc(n1)C(=O)c1ccc(cc1)C	0.66	1.0
Compound_274	CCCCCCOc1ccc(c2c1cccc2)C(=O)N	0.64	1.0
Compound_275	CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)C	0.33	0.0
Compound_276	CC(OC(=O)CCCc1ccc(cc1)N(=O)=O)C	0.96	1.0
Compound_277	CC(OC(=O)CCCc1ccc(cc1)N)C	0.59	1.0
Compound_278	OCCN(c1ccc(cc1)CCCC(=O)OC(C)C)CCO	0.05	0.0
Compound_279	Nc1cccc(c1)C1=NCCN1	0.07	0.0
Compound_280	COCCOC(=O)Nc1ccc(cc1)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O	0.97	1.0
Compound_281	CNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1N)N	0.91	1.0
Compound_282	Oc1c(cc(c2c1C(=O)c1ccccc1C2=O)O)Nc1ccccc1S(=O)(=O)O	0.85	1.0
Compound_283	Clc1nc(nc(n1)Cl)Nc1ccc(cc1S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1c(C2=O)ccc(c1S(=O)(=O)O)S(=O)(=O)O)N	0.94	1.0
Compound_284	CC(=O)OCC(CC=C(C)C)(C)C	0.75	1.0
Compound_285	CC(c1ccc(cc1)COC(=O)Cc1ccccc1)C	0.94	1.0
Compound_286	CCCCN(COc1nsc2c1cccc2)CCO	0.18	0.0
Compound_287	OCCN(C1CCCCC1)COc1nsc2c1cccc2	0.09	0.0
Compound_288	O1CCN(CC1)COc1nsc2c1cccc2	0.04	0.0
Compound_289	NC(=O)COc1nsc2c1cccc2	0.04	0.0
Compound_290	CN(CCCOc1nsc2c1cccc2)C	0.03	0.0
Compound_291	OCCN(COc1nsc2c1cccc2)CCO	0.08	0.0
Compound_292	NCCCOc1nsc2c1cccc2	0.14	0.0
Compound_293	C1CCN(CC1)COc1nsc2c1cccc2	0.05	0.0
Compound_294	CCCC(=O)Oc1ccc(cc1)CC	0.99	1.0
Compound_295	CNc1nc(=O)[nH]c(=S)n1C	0.06	0.0
Compound_296	CCCCCCCCCCCCCCc1cc(Cl)c(cc1OCCOC(=O)NC1=NN(C(=O)C1)c1cccc(c1)Cl)C	0.04	0.0
Compound_297	CCCCCCCCCCCCCC(=O)NC(=N)N	0.29	0.0
Compound_298	CCCCN1CC(=O)N=C1N	0.02	0.0
Compound_299	CCCCCCN1CC(=O)N=C1N	0.05	0.0
Compound_300	CCCCCCCCCCN1CC(=O)N=C1N	0.05	0.0
Compound_301	CCCCCCCCCCCCN1CC(=O)N=C1N	0.05	0.0
Compound_302	CCCCCCCCCCCCCCN1CC(=O)N=C1N	0.06	0.0
Compound_303	CCCCCCCCCCCCCCCCN1CC(=O)N=C1N	0.06	0.0
Compound_304	CCCCCCc1c(N)nc(nc1N)N	0.41	0.0
Compound_305	CCCCCCCCc1c(N)nc(nc1N)N	0.42	0.0
Compound_306	CCCCCCCCCCCCCCCCCCN1CC(=O)N=C1N	0.06	0.0
Compound_307	CCCCCCCCCCc1c(N)nc(nc1N)N	0.42	0.0
Compound_308	CCCCCCCCCCCCc1c(N)nc(nc1N)N	0.4	0.0
Compound_309	CCCCCCCCCCCCCCc1c(N)nc(nc1N)N	0.4	0.0
Compound_310	OCCN(COc1nsc2c1cccc2)C	0.05	0.0
Compound_311	CCCCCCCCCCCCCCCCc1c(N)nc(nc1N)N	0.4	0.0
Compound_312	CCCCCCCCCCCCCCCCCCc1c(N)nc(nc1N)N	0.4	0.0
Compound_313	CCN(COc1nsc2c1cccc2)CC	0.34	0.0
Compound_314	CCCNC(=O)OCCOC(=O)C=C	0.61	1.0
Compound_315	BrCC(=O)OCC(COC(=O)CBr)O	0.85	1.0
Compound_316	O=C1C=C[C@]2(C(=C1)C(C)C[C@@H]1[C@]2(Cl)C(O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C	0.48	0.0
Compound_317	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)C(O)C[C@]2([C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O)C)C	0.09	0.0
Compound_318	O=C(c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)Cl)C(=O)Cl)OCCOC(=O)C(=C)C	0.7	1.0
Compound_319	ClC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)OCCOC(=O)C(=C)C)C(=O)Cl	0.7	1.0
Compound_320	BrC1(COC(OC1)CC1OCC(CO1)(Br)N(=O)=O)N(=O)=O	0.64	1.0
Compound_321	CCCCCCCCCCC#CC(OCC)OCC	0.96	1.0
Compound_322	CCC/C=C/C(=O)OCC(C)C	0.93	1.0
Compound_323	C=CC(=O)OCCCc1ccco1	0.93	1.0
Compound_324	CCOCCc1ccccc1c1ccccc1	0.93	1.0
Compound_325	N#Cc1c(OCc2ccccc2)cccc1OCc1ccccc1	0.96	1.0
Compound_326	CCOc1cc(N=Nc2ccc(c(c2)S(=O)(=O)O)Cl)c(cc1NC(=O)Nc1cc(C)c(cc1OCC)N=Nc1ccc(c(c1)S(=O)(=O)O)Cl)C	0.97	1.0
Compound_327	O=C(Nc1ccc(cc1)OCCN1CCOCC1)OC1CCCCC1	0.03	0.0
Compound_328	CCOC(=O)CSCCC=O	0.96	1.0
Compound_329	Ic1cc(I)c2c(c1)c(=O)cc(o2)C(=O)O	0.44	0.0
Compound_330	CCOC(=O)C(C(=O)c1cc(ccc1Cl)N(=O)=O)C(=O)OCC	0.95	1.0
Compound_331	CC(=O)Nc1cc(Oc2ccccc2)c(cc1Cl)N	0.45	0.0
Compound_332	COC(=O)C1CN(CCC1=O)Cc1ccccc1	0.01	0.0
Compound_333	OCCNC(=O)c1cc(CC(C)C)cc(c1O)OC	0.02	0.0
Compound_334	O=N(=O)C1C(=O)c2ccccc2c2c(C1=O)cccc2	0.85	1.0
Compound_335	COc1cc(cc(c1)OC)NC(=O)c1ccccc1	0.95	1.0
Compound_336	NCCCNC(=O)O	0.12	0.0
Compound_337	CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)C	0.5	0.0
Compound_338	CC(=O)OCC1=C(C(=O)OCC(=O)c2ccc(cc2)Cl)N2[C@H](SC1)C(C2=O)NC(=O)Cc1cccs1	0.01	0.0
Compound_339	O=C1CC[C@]2(C(=C1)CC[C@@H]1C2=CC[C@]2([C@H]1CC1[C@]2(O1)C(=O)C)C)C	0.35	0.0
Compound_340	OCC(=O)[C@@]1(O)C(O)C[C@@H]2[C@]1(C)CC1O[C@]31[C@H]2CCC1=CC(=O)C=C[C@]31C	0.27	0.0
Compound_341	S=c1[nH]c2[nH]c(=O)c(nc2c(=O)[nH]1)C	0.06	0.0
Compound_342	CCC(CC(=O)OOc1ccccc1)(C)C	0.93	1.0
Compound_343	O=C(CCC(=O)O)OCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(cc1)Cl	0.08	0.0
Compound_344	CCN(c1cc(Cl)c(cc1Oc1ccc(cc1)Cl)N(=O)=O)CC	0.83	1.0
Compound_345	Clc1ccc(cc1)Sc1cc(N(=O)=O)c(cc1N(C)C)Cl	0.89	1.0
Compound_346	CC(=O)c1cc(ccc1O)NS(=O)(=O)c1ccccc1	0.83	1.0
Compound_347	Cn1c(NC(=O)N)nnc(c1=C)C	0.18	0.0
Compound_348	Oc1ccc(cc1)Nc1ccc(c(c1N(=O)=O)S(=O)(=O)O)N(=O)=O	0.93	1.0
Compound_349	Sc1cccc(c1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1cccc(c1)S	0.22	0.0
Compound_350	CCOc1ccc(cc1)N=Nc1ccc(cc1N)N	0.89	1.0
Compound_351	CCCCCCCCCCCCOC(=O)C1CCCCC1	0.98	1.0
Compound_352	Brc1ccc2c(c1)c(c1ccccn1)c([nH]2)c1ccccc1	0.98	1.0
Compound_353	Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(=O)c1ccccc1Cl)N(=O)=O	0.85	1.0
Compound_354	O=C1OCc2c(N1)ccc(c2)N(=O)=O	0.7	1.0
Compound_355	CCCCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O	0.11	0.0
Compound_356	CCCCN(CCCC)CCCN(CCCC)CCCC	0.6	1.0
Compound_357	CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-]	0.74	1.0
Compound_358	CCCC(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N	0.04	0.0
Compound_359	COC(=O)c1ccc(cc1OC(=O)C)SC(=O)N(C)C	0.93	1.0
Compound_360	COC(=O)c1ccc(cc1OC(=O)C)OC(=S)N(C)C	0.94	1.0
Compound_361	COC(=O)c1ccc(cc1O)OC(=S)N(C)C	0.79	1.0
Compound_362	CCCCNc1ccc(cc1)N	0.26	0.0
Compound_363	CNCc1c(Cl)cccc1N(=O)=O	0.73	1.0
Compound_364	CCN(c1ccc(c(c1)C)N=Nc1sc(cc1N(=O)=O)N(=O)=O)CCC(=O)OCCOc1ccccc1	0.35	0.0
Compound_365	CCCCCCCCC(=O)OCC(CO)(CO)CO	0.5	0.0
Compound_366	CCCC(=O)OCC(COC(=O)CCC)(CO)CO	0.47	0.0
Compound_367	C=CCCCCCCCCOC(=O)c1ccccc1	0.99	1.0
Compound_368	OC(=O)CCC(=O)OCc1cnc(c2c1COC(O2)(C)C)C	0.06	0.0
Compound_369	CCCCOCCOC(=O)C(C)C	0.86	1.0
Compound_370	CC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1OC(=O)C)O)OC(=O)C	0.48	0.0
Compound_371	CCCCCCCCCCCC(=O)OC[C@@H]([C@H]([C@@H]([C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O	0.16	0.0
Compound_372	CCOC(=O)c1cc(Cl)c(c(c1)OC)O	0.93	1.0
Compound_373	Oc1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1ccccc1	0.77	1.0
Compound_374	CCOc1cc(N=Nc2c(Br)cc(cc2N(=O)=O)N(=O)=O)c(cc1NCCC(=O)OC)NC(=O)C	0.21	0.0
Compound_375	CCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O	0.62	1.0
Compound_376	CCc1ccc(c(c1)N)O	0.89	1.0
Compound_377	CCCCCCCCCCCCCCCCC=C1OC(C1=O)CCCCCCCCCCCCCCCC	0.92	1.0
Compound_378	OCCOC(=O)CCCCC(=O)O	0.3	0.0
Compound_379	COC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1N)Nc1ccc(cc1)Oc1ccccc1	0.94	1.0
Compound_380	COc1cc(N=Nc2cc(cc3c2ccc(c3)S(=O)(=O)O)S(=O)(=O)O)c(cc1NC(=O)Nc1cc(C)c(cc1OC)N=Nc1cc(cc2c1ccc(c2)S(=O)(=O)O)S(=O)(=O)O)C	0.98	1.0
Compound_381	OCC[C@H](OCC[C@@H](O)C)C	0.86	1.0
Compound_382	CC(CCOCCC(O)C)O	0.9	1.0
Compound_383	Nc1ccc(c(c1)C)S(=O)(=O)N	0.25	0.0
Compound_384	OCCC(OC(CCO)C)C	0.94	1.0
Compound_385	O=C1Oc2c3ccccc3ccc2C(C1)(C)C	0.98	1.0
Compound_386	CCOc1ccc2c(c1)sc(n2)NC(=O)CS	0.79	1.0
Compound_387	Oc1ccc2c(c1)Sc1c(C32OC(=O)c2c3cccc2)ccc(c1)O	0.95	1.0
Compound_388	NC1=NC(=O)CN1CCCCCCCCCCCCN1CC(=O)N=C1N	0.02	0.0
Compound_389	NC1=NC(=O)CN1CCCCCCCCN1CC(=O)N=C1N	0.01	0.0
Compound_390	NC1=NC(=O)CN1CCCCCCN1CC(=O)N=C1N	0.01	0.0
Compound_391	NC1=NC(=O)CN1CCCCN1CC(=O)N=C1N	0.01	0.0
Compound_392	NC1=NC(=O)CN1CCN1CC(=O)N=C1N	0.01	0.0
Compound_393	CC(CCCCCCCCCCOC(=O)c1ccccc1O)C	0.9	1.0
Compound_394	CCC1(CO)COC(=O)CCCCC(=O)OC1	0.88	1.0
Compound_395	Cc1ccc(c(c1)C)n1c(=O)c2cccc3c2c(c1=O)ccc3N(=O)=O	0.34	0.0
Compound_396	CCCCCCCCCCCCCCCCCCOCCCNCCC(=O)O	0.24	0.0
Compound_397	O=C1CCCCC(=O)OCC(CO1)(C)C	0.84	1.0
Compound_398	O=C1CCCCCCCCC(=O)OCC(CO1)(C)C	0.69	1.0
Compound_399	CC(CCOCCC(C)(C)C)(C)C	0.69	1.0
Compound_400	CN(CCC(=O)c1ccc(cc1)c1ccc(cc1)Br)C	0.13	0.0
Compound_401	OC(=O)CCCCCNc1nc(=O)[nH]c(=O)[nH]1	0.01	0.0
Compound_402	CN(NC(=O)NC1CCC(CC1)CC1CCC(CC1)NC(=O)NN(C)C)C	0.28	0.0
Compound_403	CCOCCOP(=O)(OCCOCC)O	0.83	1.0
Compound_404	CCCOC(=O)c1ccc(cc1)N	0.41	0.0
Compound_405	CCCCCCCC(=O)O[C@@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCC)OC(=O)CCCCCCC)CO	0.44	0.0
Compound_406	C[C@H]1CC[C@H]([C@H](C1)OCC(=O)O)C(C)C	0.13	0.0
Compound_407	Clc1c2=Nc3ccc(c(c3Oc2c(c2=Nc3c(Oc12)c(c(cc3)Nc1ccc(c(c1S(=O)(=O)O)S(=O)(=O)O)Nc1nc(Cl)nc(n1)Cl)S(=O)(=O)O)Cl)S(=O)(=O)O)Nc1ccc(c(c1S(=O)(=O)O)S(=O)(=O)O)Nc1nc(Cl)nc(n1)Cl	0.81	1.0
Compound_408	Clc1nc(Cl)nc(n1)Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccc2c(c1S(=O)(=O)O)Oc1c(=N2)c(Cl)c2c(=Nc3c(O2)c(c(cc3)Nc2ccc(c(c2S(=O)(=O)O)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Cl)S(=O)(=O)O)c1Cl	0.82	1.0
Compound_409	CCCCCC#C/C=C/C(=O)OC	0.96	1.0
Compound_410	CCOC(=O)CC1(CBr)OCCO1	0.91	1.0
Compound_411	COC(=O)c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl	0.99	1.0
Compound_412	COc1ccc(cc1NC(=O)CC(=O)c1cccc(c1)N)S(=O)(=O)O	0.33	0.0
Compound_413	CC(c1ccc2c(c1)c(ccc2)C(C)C)C	1.0	1.0
Compound_414	CC(c1cc2ccccc2cc1C(C)C)C	0.99	1.0
Compound_415	CCCCCCCCCCCCCCCCCCCCCC(=O)N(CO)CO	0.93	1.0
Compound_416	Oc1cc(Cc2cc(O)cc(c2)S(=O)(=O)O)cc(c1)S(=O)(=O)O	0.35	0.0
Compound_417	CC(=O)OCCCCOCCOCCOCCCCOC(=O)C	0.87	1.0
Compound_418	N#CNC(=NC)OC	0.34	0.0
Compound_419	COC(=O)c1cc(ccc1OC)S(=O)(=O)O	0.29	0.0
Compound_420	CCOC(=O)OC(=O)c1cc(cc(c1OC)OC)S(=O)(=O)NC	0.47	0.0
Compound_421	O=C1NC(=O)CN1CCCCCCCCCCN1CC(=O)NC1=O	0.01	0.0
Compound_422	O=C1NC(=O)CN1CCCCCCCCCCCCN1CC(=O)NC1=O	0.01	0.0
Compound_423	O=C1NC(=O)CN1CCCCCCN1CC(=O)NC1=O	0.01	0.0
Compound_424	O=C1NC(=O)CN1CCCCCCCCN1CC(=O)NC1=O	0.01	0.0
Compound_425	O=C1NC(=O)CN1CCCCN1CC(=O)NC1=O	0.01	0.0
Compound_426	NCCOP(=O)(OCCN)OCC	0.43	0.0
Compound_427	CCCCOP(=O)(OCCN)OCCN	0.36	0.0
Compound_428	O=C1CN=C(O1)N	0.01	0.0
Compound_429	Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1C(=O)O	0.18	0.0
Compound_430	CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c1ccc(c(c1)S(=O)(=O)O)OCC	0.56	1.0
Compound_431	CC(C1CCC(CC1)OC(=O)C(=C)C)C	0.68	1.0
Compound_432	CCOC(=O)C(=O)OCCc1ccccc1	0.89	1.0
Compound_433	Clc1ccc(cc1)C(=O)c1cc(Cl)c(cc1O)C	0.99	1.0
Compound_434	CCCCCCCCCCCCCCCCCCn1c(nc2c1ccc(c2)S(=O)(=O)O)c1ccc(cc1)NO	0.8	1.0
Compound_435	CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc1cc(OC)c(cc1Cl)OC	0.35	0.0
Compound_436	CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)c1ccccc1C(=O)O	0.01	0.0
Compound_437	CCCCCCC=C(C(=O)C)C(=O)C	0.71	1.0
Compound_438	COc1cc(ccc1O)C(Oc1ccccc1)Oc1ccccc1	0.89	1.0
Compound_439	O=C(C(C)C)OCCc1cc(C)cc(c1)C	0.87	1.0
Compound_440	CCCCCCCCCCCCCCCCCCNC(=O)N(CCNC(=O)N)CCNC(=O)N	0.46	0.0
Compound_441	CCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C	0.92	1.0
Compound_442	CCCCc1ccc(c(c1)O)C	0.97	1.0
Compound_443	CCC(=O)OC(CCCC(=C)C=C)(C)C	0.42	0.0
Compound_444	CCCCOC(=O)C1CCC(CC1)C(=O)OC1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.55	1.0
Compound_445	O=C1C=C[C@]2(C(=C1)C(C)C[C@@H]1[C@@H]2C(O)C[C@]2([C@H]1CC[C@]2(O)C(=O)C(I)I)C)C	0.18	0.0
Compound_446	CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C(C(=O)CC[C@]12C)OC(=O)C)C(=O)C	0.43	0.0
Compound_447	O=C(c1ccccc1)Oc1ccc(cc1)CCC(=O)C	0.99	1.0
Compound_448	CCCCCOC(=O)c1ccc(cc1O)C	0.96	1.0
Compound_449	CCCCCCCCCCCCCCCCCCN(C(=O)CCCCC(=O)O)CCCCCCCCCCCCCCCCCC	0.22	0.0
Compound_450	CCN(CCNC(=O)c1cc(Br)c(cc1OC)NC(=O)C)CC	0.01	0.0
Compound_451	CC(=O)Oc1ccccc1C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)C	0.17	0.0
Compound_452	OC(=O)CCC(=O)OCC(=O)[C@@]1(O)C(O)C[C@@H]2[C@]1(C)CC(O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F	0.18	0.0
Compound_453	CCCCCCCCCCCCCCCCCCc1ccc(cc1)C	0.86	1.0
Compound_454	CCCCCCCCCCCCCCCCCCc1ccccc1C	0.78	1.0
Compound_455	CC(=O)CC1=CC[C@]23C[C@H]1C(C)(C)[C@H]2CC[C@@H]3C	0.9	1.0
Compound_456	[O-]P(=O)(OCCN(CCN(CCOP(=O)(O)O)CCOP(=O)([O-])[O-])CCOP(=O)([O-])[O-])[O-]	0.09	0.0
Compound_457	COc1cc(Cl)c[nH]c1=O	0.46	0.0
Compound_458	O=CN[C@H](C(=O)N[C@H](C(=O)OCC)Cc1ccccc1)Cc1ccccc1	0.02	0.0
Compound_459	CCCCCCOc1ccc(cc1)CCC(=O)OC(=O)CCc1ccc(cc1)OCCCCCC	0.95	1.0
Compound_460	CCCCC(=O)OCc1occc1C	0.79	1.0
Compound_461	OC(=O)CCCc1cccc2c1OCO2	0.69	1.0
Compound_462	BrCCc1ccc(c2c1cccn2)O	0.97	1.0
Compound_463	O=C1NC(=O)CN1CCNCCN1CC(=O)NC1=O	0.01	0.0
Compound_464	c1ccc2c(c1)c(co2)c1ccc(cc1)c1nnc(o1)c1cc2c(o1)ccc1c2cccc1	0.17	0.0
Compound_465	c1ccc2c(c1)c(oc2)c1ccc(cc1)c1nnc(o1)c1cc2c(o1)cc1c(c2)cccc1	0.16	0.0
Compound_466	c1ccc(cc1)c1nnc(o1)c1occ2c1cccc2	0.48	0.0
Compound_467	Clc1ccc(cc1)C1=NN(CC1)c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-]	0.78	1.0
Compound_468	Cc1cc(Cl)c(cc1C1=NN(CC1)c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])Cl	0.8	1.0
Compound_469	CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_470	CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_471	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_472	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_473	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_474	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_475	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_476	OC(=O)CNc1cscc1	0.0	0.0
Compound_477	CCOC(=O)CCc1ccc(c(c1)F)O	0.85	1.0
Compound_478	O=C(C1(Br)CCCC1)c1cccs1	0.98	1.0
Compound_479	CCOC(=O)CCC1(C)OCCO1	0.92	1.0
Compound_480	CC(COC(=O)c1ccc(cc1)N)C	0.54	1.0
Compound_481	Cc1ccc(cc1)S(=O)(=O)N=N#N	0.83	1.0
Compound_482	O=C1O[C@@H]2[C@H](C1)[C@H]([C@@H](C2)OC(=O)c1ccccc1)C=C(C(CCC1CCCCC1)O)Br	0.54	1.0
Compound_483	O=C(Oc1ccccc1)CCC1CCCCC1	0.98	1.0
Compound_484	NC1=NC(=O)CN1CCNCCN1CC(=O)N=C1N	0.03	0.0
Compound_485	CC(OC(=O)n1c2ccccc2n(c1=S)C(=O)OC(C)C)C	0.22	0.0
Compound_486	COCCOCC(OC)OC	0.81	1.0
Compound_487	CCOc1ccc(cc1)Nc1ccc(c2c1cccc2)C(c1ccc(cc1)N(CC)CC)(c1ccc(cc1)N(CC)CC)O	0.49	0.0
Compound_488	OC[C@H]([C@H]([C@@H]([C@H](C(=O)NNC=NCCC[C@@H](C(=O)O)N)O)O)O)O	0.03	0.0
Compound_489	OC(=O)/C=C/C(=O)Oc1ccc(cc1)C(c1ccc(cc1)O)(C)C	0.95	1.0
Compound_490	Clc1c(Cl)c(N)c2c(c1N)C(=O)c1c(C2=O)c(O)ccc1Cl	0.94	1.0
Compound_491	Nc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)ccc(c2)S(=O)(=O)O	0.91	1.0
Compound_492	Clc1nc(Nc2ccc(cc2)N=Nc2cc3c(c(c2)S(=O)(=O)O)cc(cc3S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(ccc1S(=O)(=O)O)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O	0.98	1.0
Compound_493	ClCC(=O)NCc1c(C)c(Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)O)c(c(c1C)CNC(=O)CCl)C	0.28	0.0
Compound_494	CCCCC(=O)OCCc1scnc1C	0.8	1.0
Compound_495	CCOC(COc1ccc(cc1)C(CC)(C)C)OCC	0.74	1.0
Compound_496	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.89	1.0
Compound_497	OCC(OC(=O)CBr)CO	0.8	1.0
Compound_498	Brc1cc(Br)c(c(c1)S(=O)(=O)O)O	0.82	1.0
Compound_499	BrC(C(=O)OCCOC(=O)C(Br)Br)Br	0.95	1.0
Compound_500	O=C(C(Br)(Br)Br)OCCOC(=O)C(Br)(Br)Br	0.93	1.0
Compound_501	CCOC(=O)C(c1cc(Br)c(c(c1)Br)O)c1cc(Br)c(c(c1)Br)O	0.96	1.0
Compound_502	OC(=O)C(c1cc(Br)c(c(c1)Br)O)c1cc(Br)c(c(c1)Br)O	0.97	1.0
Compound_503	OCC(N1Cn2n(C1)c(=O)ccc2=O)(C)C	0.02	0.0
Compound_504	CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1C(C)C)C(C)C	0.42	0.0
Compound_505	O=C(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)CCC(=O)O	0.06	0.0
Compound_506	O=C(OCCCS(=O)(=O)[O-])CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.83	1.0
Compound_507	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_508	CCCCCCCCCCOC(=O)CCCCCC	0.95	1.0
Compound_509	O=C(c1ccccc1)OCCCCCCCCCCOC(=O)c1ccccc1	0.97	1.0
Compound_510	CCCCCCCCCCCCc1ccc(cc1)OCCCl	0.91	1.0
Compound_511	CCCCOCCOC(=O)CCCOc1ccc(cc1C)Cl	0.94	1.0
Compound_512	CC(COC(=O)CCCOc1ccc(cc1C)Cl)C	0.8	1.0
Compound_513	CCCCCCCCCCCCCCCCCCN(c1ccc(cc1N(=O)=O)C(=O)O)C	0.31	0.0
Compound_514	O=C=Nc1ccccc1Cc1cccc(c1C)N=C=O	0.46	0.0
Compound_515	O=C=Nc1ccc(c(c1)Cl)NNC(=O)C(C)(C)C	0.6	1.0
Compound_516	Nc1ccc(c(c1)Cl)NNC(=O)C(C)(C)C	0.58	1.0
Compound_517	OC(COc1c(C)cccc1Cl)COc1c(C)cccc1Cl	0.91	1.0
Compound_518	O=N(=O)c1ccc(nc1)NCc1ccc(n1C)C	0.21	0.0
Compound_519	CCCNc1nc(OC)ccc1N(=O)=O	0.1	0.0
Compound_520	CCNc1nc(OC)ccc1N(=O)=O	0.39	0.0
Compound_521	CNc1nc(OC)ccc1N(=O)=O	0.52	1.0
Compound_522	OCCNc1nc(OC)ccc1N(=O)=O	0.02	0.0
Compound_523	NCCNc1nc(OC)ccc1N(=O)=O	0.06	0.0
Compound_524	Clc1cccc(n1)N(=O)=O	0.9	1.0
Compound_525	OS(=O)(=O)c1ccc(cc1)CN(c1ccccc1)Cc1ccc(cc1)S(=O)(=O)O	0.48	0.0
Compound_526	CCNc1ccc(cc1C)C(c1ccc(cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)NCC	0.54	1.0
Compound_527	CCOc1ccc(cc1)Nc1ccc(cc1)C(c1ccc(cc1C)N(Cc1cccc(c1)S(=O)(=O)O)CC)c1ccc(cc1C)N(Cc1cccc(c1)S(=O)(=O)O)CC	0.96	1.0
Compound_528	O=C=Nc1ccc(cc1C)Cc1ccccc1N=C=O	0.46	0.0
Compound_529	O=C=Nc1ccccc1Cc1cc(N=C=O)c(c(c1)N=C=O)C	0.45	0.0
Compound_530	O=C=Nc1cc(N=C=O)c(c(c1)Cc1ccccc1N=C=O)C	0.37	0.0
Compound_531	CCCCCCC(CC=CC(C(C(=O)O[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO)(CC(=O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)CCO)CCCCCCC(=O)O)O	0.2	0.0
Compound_532	Cc1cc(C)c2c(c(c1)C)ccc2	0.98	1.0
Compound_533	CCCCCCCCCCCCCCCCCCN(c1ccc(cc1N)C(=O)O)C	0.06	0.0
Compound_534	N#CCn1c(N=Nc2ccc(cc2)N(CC(=O)OCc2ccccc2)C)nc(c1C#N)C#N	0.06	0.0
Compound_535	O=Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1C(=O)C)N(=O)=O	0.96	1.0
Compound_536	CC(=CCC)C(=O)Oc1c(C)occc1=O	0.25	0.0
Compound_537	Cc1ccc(s1)C(=O)C(C)C	0.95	1.0
Compound_538	BrCC(=O)OC[C@@H]([C@H]([C@@H]([C@H](OC(=O)CBr)CO)O)O)O	0.64	1.0
Compound_539	BrCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)OC(=O)CBr)O)O	0.6	1.0
Compound_540	BrCC(=O)OC[C@H]([C@H]([C@@H]([C@H](COC(=O)CBr)O)O)O)O	0.63	1.0
Compound_541	OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)OC(=O)CBr	0.71	1.0
Compound_542	BrCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)OC(=O)CBr)O	0.6	1.0
Compound_543	OC[C@H]([C@H]([C@@H]([C@@H](OC(=O)CBr)COC(=O)CBr)O)O)O	0.62	1.0
Compound_544	CCCc1cc(CCC)c(c(c1)CCC)C=O	0.96	1.0
Compound_545	N#CN=NNc1ccccc1Cl	0.73	1.0
Compound_546	CCC(=O)OC1CC23CC(C1C)C(C3CC[C@H]2C)(C)C	0.57	1.0
Compound_547	CCCC(=O)OCCCC1CCCCC1	0.98	1.0
Compound_548	COc1ccc2c3c1cccc3c(=O)n(c2=O)CC(CN)(C)C	0.04	0.0
Compound_549	Oc1cccc(c1)Oc1c(cc(c(c1N(=O)=O)Cl)N(=O)=O)N(=O)=O	0.94	1.0
Compound_550	O=N(=O)c1cc(N(=O)=O)c(c(c1Oc1ccccc1O)N(=O)=O)Cl	0.96	1.0
Compound_551	Oc1ccc(cc1)Oc1c(cc(c(c1N(=O)=O)Cl)N(=O)=O)N(=O)=O	0.95	1.0
Compound_552	CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(c(c1)NC(=O)c1ccc2c(c1O)cccc2)N(CC)CC	0.17	0.0
Compound_553	C=CS(=O)(=O)c1cc(c(cc1C)C)S(=O)(=O)C=C	0.81	1.0
Compound_554	O=C(OC(Cc1ccccc1)(C)C)C=C(C)C	0.42	0.0
Compound_555	CC(c1nccnc1Sc1ccsc1C)C	0.72	1.0
Compound_556	OC(=O)CCc1cccc(c1Br)Br	0.5	0.0
Compound_557	OC(=O)C1CCN(CC1)c1ccccc1	0.02	0.0
Compound_558	BrCC(=O)O[C@H]([C@@H]([C@@H](CO)O)O)[C@H](CO)O	0.61	1.0
Compound_559	OC[C@H]([C@H]([C@@H]([C@H](COC(=O)CBr)O)O)O)O	0.77	1.0
Compound_560	CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)O)C(=O)C	0.25	0.0
Compound_561	O=C(NC1CCCCC1)OCCOC(=O)C(=C)C	0.17	0.0
Compound_562	CC(=C)C(=O)OCS	0.98	1.0
Compound_563	Nc1cncc(c1O)N	0.3	0.0
Compound_564	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CC	0.53	1.0
Compound_565	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(CO)CC	0.41	0.0
Compound_566	C1CCc2c(C1)[nH]c1c2cccc1	0.59	1.0
Compound_567	O=C(Nc1ccccc1N(C)C)Nc1ccccc1N(C)C	0.75	1.0
Compound_568	O=C(Nc1ccccc1N(C)C)Nc1ccc(c(c1)Cl)Cl	0.87	1.0
Compound_569	O=C(Nc1ccc(c(c1)Cl)Cl)Nc1cccc(c1)N(C)C	0.87	1.0
Compound_570	CSc1nnnn1c1ccc(cc1)N(=O)=O	0.91	1.0
Compound_571	CSc1nnnn1c1cccc(c1)O	0.42	0.0
Compound_572	COc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)OS(=O)(=O)C)OS(=O)(=O)C	0.91	1.0
Compound_573	CCOC(=O)COCCOC(=O)C	0.91	1.0
Compound_574	N#Cc1cc(Br)c(c(c1)Br)OC(=O)Nc1ccc(cc1)Cl	0.96	1.0
Compound_575	CCCCCCCOC1=C(C)CCC1=O	0.42	0.0
Compound_576	CCCCC(=O)Oc1ccc(cc1)CCC(=O)C	0.98	1.0
Compound_577	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)OC(C)(C)C	0.93	1.0
Compound_578	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)Oc1ccc(cc1Cl)Cl	0.95	1.0
Compound_579	O=C1OC(=O)c2c1cc(Cl)c(c2)Cl	0.99	1.0
Compound_580	NNC(=O)C1=NN(C(=O)C1)c1ccccc1	0.08	0.0
Compound_581	O=C(Sc1sc2c(n1)cc(cc2)S(=O)(=O)Nc1ccc(cc1)Cl)OC1CCCCC1	0.69	1.0
Compound_582	ON=CC(=O)c1cccc(c1Cl)Cl	0.21	0.0
Compound_583	ClCCN(c1ccc(cc1)C[C@H](N1C(=O)c2c(C1=O)cccc2)C(=O)OCC)CCCl	0.15	0.0
Compound_584	Nc1ccc(c(c1)Cc1c(N)cccc1N)C	0.73	1.0
Compound_585	Nc1cc(ccc1C)Cc1c(N)cccc1N	0.71	1.0
Compound_586	Nc1cccc(c1Cc1cccc(c1C)N)N	0.73	1.0
Compound_587	Nc1ccc(c(c1)N)Cc1cc(N)ccc1C	0.73	1.0
Compound_588	Nc1ccc(c(c1)N)Cc1ccc(c(c1)N)C	0.8	1.0
Compound_589	Nc1ccc(c(c1)N)Cc1cccc(c1C)N	0.81	1.0
Compound_590	O=C=Nc1ccc(c(c1)Cc1c(cccc1N=C=O)N=C=O)C	0.32	0.0
Compound_591	O=C=Nc1cc(ccc1C)Cc1c(cccc1N=C=O)N=C=O	0.42	0.0
Compound_592	O=C=Nc1cccc(c1C)Cc1c(cccc1N=C=O)N=C=O	0.35	0.0
Compound_593	O=C=Nc1ccc(c(c1)N=C=O)Cc1cc(N=C=O)ccc1C	0.47	0.0
Compound_594	O=C=Nc1ccc(c(c1)N=C=O)Cc1ccc(c(c1)N=C=O)C	0.45	0.0
Compound_595	CCOC(=O)[C@](N(=O)=O)(Cc1ccccc1)N	0.51	1.0
Compound_596	CSCC[C@H](C(=O)NCC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)N(=O)=O)N)NC(=O)OC(C)(C)C	0.02	0.0
Compound_597	COC(C(CC1CCCCC1)(C)C)OC	0.8	1.0
Compound_598	CCCOC(=O)CCCCCCCCC=C	0.99	1.0
Compound_599	OCn1nc(c(c1C)Br)C	0.85	1.0
Compound_600	COc1ccc(cc1)C(=O)NCCC1=CCCCC1	0.39	0.0
Compound_601	O=C(C(=C)C)OCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.94	1.0
Compound_602	O=C(OC1=C(C)CCC1=O)Cc1ccccc1	0.65	1.0
Compound_603	C=CCCCCCCCCC(=O)OCCCS(=O)(=O)[O-]	0.52	1.0
Compound_604	CCc1ccc(c(c1C(C)(C)C)O)C(C)(C)C	0.96	1.0
Compound_605	CCOCCCN=C=S	0.58	1.0
Compound_606	CSCC[C@@H](C(=O)[O-])NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	0.02	0.0
Compound_607	OC[C@H]([C@H]([C@@H]([C@H](C(=O)NC(C(=O)O)CC1CCCCC1)O)O)O)O	0.05	0.0
Compound_608	OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCCC(=O)O)O)O)O)O	0.04	0.0
Compound_609	OC[C@H]([C@H]([C@@H]([C@H](C(=O)N[C@H](C(=O)O)C)O)O)O)O	0.05	0.0
Compound_610	OC[C@H]([C@H]([C@@H]([C@H](C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O	0.04	0.0
Compound_611	CCCCCCC(=O)CC(=O)CC(C)C	0.92	1.0
Compound_612	CC(CCOC(c1ccccc1)OCCC(C)C)C	0.76	1.0
Compound_613	OC(=O)c1ccc(cc1O)SSc1ccc(c(c1)O)C(=O)O	0.37	0.0
Compound_614	COc1cc(NC(=O)c2ccccc2)c(cc1NS(=O)(=O)c1ccccc1)C	0.34	0.0
Compound_615	COc1ccc(cc1N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(c(c1)N)OC	0.05	0.0
Compound_616	COc1ccc(cc1N)S(=O)(=O)Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_617	C=Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C	0.06	0.0
Compound_618	C=Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C	0.08	0.0
Compound_619	CCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O	0.62	1.0
Compound_620	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O	0.62	1.0
Compound_621	Cc1ccc(cc1NN=NC#N)Cl	0.7	1.0
Compound_622	CCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]([C@H](C(=O)OCCCCCCCCCCCCCCCCCCCCCC)O)O	0.38	0.0
Compound_623	CC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@@H]1O[C@@]31[C@H]2CCC1=CC(=O)C=C[C@]31C)C(=O)COC(=O)C	0.68	1.0
Compound_624	CCCC(SC(CCC)(C)C)(C)C	0.9	1.0
Compound_625	CC(CCCCCC(=O)NCCNCCNC(=O)CCCCCC(C)C)C	0.09	0.0
Compound_626	CCCCCCCCCCCCCCCC(=O)OCCCCCCC(C)C	0.92	1.0
Compound_627	CC(CCCCCCCCOC(=O)C(=C)C)C	0.98	1.0
Compound_628	CC(CCCCCCCCCCCOC(=O)C(=C)C)C	0.98	1.0
Compound_629	CC(CCCCOC(=O)C(=C)C)C	0.86	1.0
Compound_630	CC(CCCCCCCCCCCCOC(=O)C(=C)C)C	0.98	1.0
Compound_631	CC(CCCCCCCCCCCCCOC(=O)C(=C)C)C	0.98	1.0
Compound_632	CCCCCCCCCCCC(=O)OCCCCCCCC(C)C	0.92	1.0
Compound_633	CCCCCCC(SC(CCCCCC)(C)C)(C)C	0.95	1.0
Compound_634	CCCC(SSC(CCC)(C)C)(C)C	0.91	1.0
Compound_635	CC(CCCCCCCCCCCCCOC(=O)C)C	0.89	1.0
Compound_636	CCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C	0.92	1.0
Compound_637	CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C	0.92	1.0
Compound_638	CC(CCCCCCCCCCCCCCCCCOC(=O)C(=C)C)C	0.98	1.0
Compound_639	Cc1cc(C)c(c(c1)Cl)n1[nH]c(cc1=O)N	0.05	0.0
Compound_640	CC(Cc1cc2ccccc2c(c1S(=O)(=O)O)CC(C)C)C	0.83	1.0
Compound_641	CCCCC(C(=O)OCC)(C)C	0.76	1.0
Compound_642	CCCCC(C(=O)OCC=C)(C)C	0.89	1.0
Compound_643	CCCCCCC(C(=O)OCC=C)(C)C	0.89	1.0
Compound_644	CCc1ccccc1OCOCOCOc1ccccc1CC	0.93	1.0
Compound_645	O=C(Nc1cccc(c1C)NC(=O)NCc1ccccc1)NCc1ccccc1	0.37	0.0
Compound_646	CCCCCCCCCOC(=O)CCCC	0.95	1.0
Compound_647	OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)Nc1ccc(c(c1)NC(=O)OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)CO)C	0.2	0.0
Compound_648	BrCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)OC(=O)CBr)OC(=O)CBr	0.62	1.0
Compound_649	BrCC(=O)OC[C@@H]([C@H]([C@@H]([C@H](OC(=O)CBr)CO)OC(=O)CBr)OC(=O)CBr)OC(=O)CBr	0.88	1.0
Compound_650	BrCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)OC(=O)CBr)OC(=O)CBr)OC(=O)CBr	0.65	1.0
Compound_651	CC(CCCCCOC(=O)CCCC(=O)O)C	0.24	0.0
Compound_652	CC(CCCCCOC(=O)c1ccccc1C(=O)[O-])C	0.64	1.0
Compound_653	CC(CCCCCOC(=O)CCC(=O)O)C	0.28	0.0
Compound_654	CCCCCCCCCC(SC(CCCCCCCCC)(C)C)(C)C	0.95	1.0
Compound_655	CCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C	0.92	1.0
Compound_656	CC(CCCCCCCOC(=O)CCCCCC(C)C)C	0.87	1.0
Compound_657	CCCCCCCCC(=O)OCCCCCC(C)C	0.92	1.0
Compound_658	CCSCCSCCNC(=O)N	0.56	1.0
Compound_659	CCN(c1cc(Cl)ccc1Oc1ccc(cc1)Cl)CC	0.93	1.0
Compound_660	CC1=CC2CC(C)(C)OCC2CC1C	0.28	0.0
Compound_661	CN(CC(COB1OCC(CO1)(C)C)(C)C)C	0.1	0.0
Compound_662	CCCCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC	0.07	0.0
Compound_663	CCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C	0.48	0.0
Compound_664	CCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C	0.54	1.0
Compound_665	CCCCCCCCCCOc1ccccc1c1nc(c(n1C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1ccccc1OCCCCCCCCCC)c1ccccc1)c1ccccc1	0.14	0.0
Compound_666	NCCNC(=O)Cc1c(C)cc(cc1C)C(C)(C)C	0.03	0.0
Compound_667	O=C(c1ccccc1C(=O)O)c1cc(Cl)c(c(c1)Cl)C	0.9	1.0
Compound_668	N#CN=NNc1ccc(cc1C)N(=O)=O	0.92	1.0
Compound_669	Brc1cc(Cl)c2c(c1)[nH]c(=O)cc2	0.52	1.0
Compound_670	CCCCCCCCCC(=O)Nc1nc(=S)[nH]n1c1ccccc1	0.09	0.0
Compound_671	CCOC(=O)c1ccc(c(c1)N(CC)CC)NC(=O)c1cccnc1	0.16	0.0
Compound_672	O=C1c2c(cccc2C(=O)c2c1cccc2NC(=O)c1ccccc1)Nc1ccc2c3c1c(=O)c1c(c3c3c2c2c4c3ccc(c4c(=O)c3c2cccc3)Nc2cccc3c2C(=O)c2cccc(c2C3=O)NC(=O)c2ccccc2)cccc1	0.69	1.0
Compound_673	CCCCCCCCCCCCCCC=COC(=O)CCCCC(=O)OC=CCCCCCCCCCCCCCC	0.57	1.0
Compound_674	CCCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCC)O	0.36	0.0
Compound_675	CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)O	0.36	0.0
Compound_676	CCCCCOC(=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	0.94	1.0
Compound_677	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC	0.8	1.0
Compound_678	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC	0.95	1.0
Compound_679	CCCCSC(CC(=O)C)(C)C	0.86	1.0
Compound_680	CCCCc1cc2c(cc1OCc1ccccc1)[nH]cc(c2=O)C(=O)O	0.41	0.0
Compound_681	COc1cc(C)ccc1CC(C)C	0.73	1.0
Compound_682	COc1ccccc1OCCC(C)C	0.4	0.0
Compound_683	S=C(c1ccccc1)SCC(=O)O	0.81	1.0
Compound_684	COc1c([nH]c2c1c(O)ccc2)c1ccccc1	0.81	1.0
Compound_685	Nc1ccc(c(c1)C(=O)O)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)Cl	0.43	0.0
Compound_686	CC(c1cc(ccc1C(C)C)C(=O)C)C	0.99	1.0
Compound_687	CCCCCOc1ccc(cc1OC)CC=C	0.79	1.0
Compound_688	ClCC(OCCOC)OCCOC	0.98	1.0
Compound_689	CCCCCC(=O)c1ccccc1	0.84	1.0
Compound_690	ClCCCCC(=O)c1ccccc1	0.92	1.0
Compound_691	Oc1ccc2c(c1)sc(n2)N(C)C	0.69	1.0
Compound_692	COc1c(ccc(c1Oc1ccc(cc1)Cl)N(=O)=O)N(C)C	0.86	1.0
Compound_693	CCCCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1	0.06	0.0
Compound_694	CCCCCCCCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1	0.06	0.0
Compound_695	ClCCN(c1ccc(cc1)C=O)C	0.89	1.0
Compound_696	CC(c1ccc(c(c1)N(=O)=O)C)C	0.98	1.0
Compound_697	CCCCNc1ccc(cc1)C(=O)OCC	0.14	0.0
Compound_698	CC(CC(C(=O)N1CCCC1)(CC(C)C)C)C	0.54	1.0
Compound_699	CCOC(=O)c1ccc(o1)N(=O)=O	0.57	1.0
Compound_700	OOC(=O)c1ccc(cc1)N(=O)=O	0.96	1.0
Compound_701	OC(=O)C(Oc1ccccc1)(C)C	0.27	0.0
Compound_702	CN(c1ccccc1)CCC#N	0.36	0.0
Compound_703	CCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1	0.2	0.0
Compound_704	CC(Oc1cc(N2CCOCC2)c(cc1N)OC(C)C)C	0.2	0.0
Compound_705	CCN(CCC(=O)c1ccccc1)CC	0.18	0.0
Compound_706	CCCCSCCC(c1cc(cc(c1O)C)C(C)(C)C)c1cc(cc(c1O)C)C(C)(C)C	0.42	0.0
Compound_707	CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O	0.06	0.0
Compound_708	CCCCCCCCCCCCc1ccc(c(c1)SSc1nnc(s1)SSc1cc(CCCCCCCCCCCC)ccc1O)O	0.72	1.0
Compound_709	C=C[C@@H]1CCC[C@H](C1)OC(=O)C	0.97	1.0
Compound_710	COc1ccc(cc1)/C=C/C(=O)C	0.76	1.0
Compound_711	OC[C@H]1O[C@@H](CC(=O)CC(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.55	1.0
Compound_712	COC(=O)c1ccc(cc1O)SC(=O)N(C)C	0.92	1.0
Compound_713	Brc1c(COc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)COc1c(Br)c(Br)c(c(c1Br)Br)Br)Br	0.96	1.0
Compound_714	Cc1cc(cc(c1O)N)S(=O)(=O)O	0.57	1.0
Compound_715	Nc1ccccc1Oc1ccc(cc1)CC(C)(C)C	0.97	1.0
Compound_716	CCOc1ccc2c(c1)sc(n2)N	0.98	1.0
Compound_717	OC(=O)c1ccc2c(c1)OCO2	0.81	1.0
Compound_718	Cc1ccccc1NCS(=O)(=O)O	0.55	1.0
Compound_719	O=C1CC(=NN1Cc1ccccc1)C	0.07	0.0
Compound_720	O=N(=O)c1cc(Cl)c(c(c1)N(=O)=O)O	0.93	1.0
Compound_721	CNCc1ccccc1Cl	0.61	1.0
Compound_722	CCNc1ccccc1C	0.56	1.0
Compound_723	O=CNc1ccccc1C	0.83	1.0
Compound_724	COc1ccc2c3c1OC1[C@@]43CCN([C@H](C2)[C@@H]4C(=O)C=C1)C	0.04	0.0
Compound_725	CCC1(C)O[C@H]([C@@H](O1)COS(=O)(=O)C)COS(=O)(=O)C	0.81	1.0
Compound_726	COc1ccc2c(c1C(=O)O)cccc2	0.87	1.0
Compound_727	OC(=O)CSc1ccc(cc1C)Cl	0.57	1.0
Compound_728	Clc1cc2ccccc2c2c1cccc2	1.0	1.0
Compound_729	O=CC(c1ccccc1)c1ccccc1	0.74	1.0
Compound_730	COC(=O)c1ccc2c(c1O)cccc2	0.98	1.0
Compound_731	Clc1ccc(c(c1)Cl)OCCOC(=O)c1ccccc1	0.81	1.0
Compound_732	CCOc1ccc(c(c1)N)OCC	0.75	1.0
Compound_733	OC(=O)c1cnc2c(n1)c(=O)nc([nH]2)N	0.01	0.0
Compound_734	N#CCCNc1ccccc1Cl	0.52	1.0
Compound_735	Cc1ccccc1NCCNc1ccccc1C	0.05	0.0
Compound_736	O=C1C=CC=C/C/1=C/NCCN/C=C\1/C=CC=CC1=O	0.02	0.0
Compound_737	Cc1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	0.8	1.0
Compound_738	ON=C1CCN(CC1)Cc1ccccc1	0.04	0.0
Compound_739	[NH3+]Cc1ccc(cc1C)C	0.15	0.0
Compound_740	NCc1ccc(cc1Cl)Cl	0.7	1.0
Compound_741	O=C1c2c(NCS(=O)(=O)O)cc(c(c2C(=O)c2c1c(O)c(cc2NCS(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	0.91	1.0
Compound_742	O=C(OCc1ccccc1)CCCCC1CCCC1	0.93	1.0
Compound_743	O=Cc1ccc(cc1O)O	0.98	1.0
Compound_744	OC(=O)c1c(Br)c(O)cc2c1cccc2	0.99	1.0
Compound_745	CCN(C(=S)SC(=S)N(CC)CC)CC	0.94	1.0
Compound_746	Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.92	1.0
Compound_747	OCC1CC2CC1C=C2	0.83	1.0
Compound_748	COc1cc(CC(=O)O)cc(c1OC)OC	0.35	0.0
Compound_749	CC(=O)Nc1cc(ccc1C(=O)O)N(=O)=O	0.17	0.0
Compound_750	Nc1ccc(cc1)c1nc2c(s1)cc(cc2)c1nc2c(s1)cc(cc2)C	0.98	1.0
Compound_751	Cc1ccc2c(c1)nc(s2)C	0.99	1.0
Compound_752	CCN(CCOc1ccc2c(c1)sc(n2)N(C)C)CC	0.19	0.0
Compound_753	O=N(=O)c1ccc(cc1)Sc1ccccc1	0.94	1.0
Compound_754	CCN(C(=S)Sc1nc2c(s1)cccc2)CC	0.75	1.0
Compound_755	CCOC(=O)/C=C/c1ccc(cc1)N(=O)=O	0.92	1.0
Compound_756	CNC1(CCN(CC1)Cc1ccccc1)C#N	0.03	0.0
Compound_757	Cc1ccc(cc1)S(=O)(=O)OC1CCCCC1	0.84	1.0
Compound_758	Cc1ccccc1Br	0.98	1.0
Compound_759	O=Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.95	1.0
Compound_760	NNC(=O)c1cc(cc(c1O)N(=O)=O)N(=O)=O	0.61	1.0
Compound_761	O=c1oc2ccccc2cc1c1ccccc1	0.99	1.0
Compound_762	c1ccc(cc1)c1ccc(o1)c1ccccc1	0.99	1.0
Compound_763	CCCNC(COC(=O)c1ccccc1)(C)C	0.01	0.0
Compound_764	O=C(c1ccccc1)NCCCCCC(=O)O	0.03	0.0
Compound_765	Clc1ncccc1NC(=O)c1ccccc1N	0.7	1.0
Compound_766	O=C1C=CC(=Nc2cc(Cl)c(c(c2)Cl)O)C=C1	0.42	0.0
Compound_767	O=C1OCCC1(c1ccccc1)c1ccccc1	0.89	1.0
Compound_768	Cc1ccc(c(c1)Cl)C	0.91	1.0
Compound_769	CCCC1CCC(CC1)C1CCC(CC1)OCC	0.97	1.0
Compound_770	NCCCCCCNC(=O)CCCCCO	0.26	0.0
Compound_771	NCCCCCCNC(=O)CCCO	0.26	0.0
Compound_772	COc1ccc(cc1)C(=S)c1ccc(cc1)OC	0.93	1.0
Compound_773	Cc1cnc(c(n1)Cl)C	0.97	1.0
Compound_774	c1ccc2c(c1)Cc1c(C2)cc2c(c1)cccc2	0.99	1.0
Compound_775	O=C(c1ccccc1)Oc1ccc(cc1)N(=O)=O	0.98	1.0
Compound_776	O=C(CC(=O)c1ccccc1)Nc1ccccc1	0.55	1.0
Compound_777	COC(CNC(=O)C(=C)C)OC	0.2	0.0
Compound_778	S=C(C(=S)NCC(=O)O)NCC(=O)O	0.02	0.0
Compound_779	Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1	0.0	0.0
Compound_780	O=C1C=C(C(=O)O1)Cl	0.58	1.0
Compound_781	CC(=O)OC[C@@H](OCn1cnc2c1[nH]c(N)nc2=O)COC(=O)[C@H](C(C)C)N	0.02	0.0
Compound_782	CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	0.63	1.0
Compound_783	BrCC(CBr)Br	0.48	0.0
Compound_784	Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	0.95	1.0
Compound_785	CCN(c1ccc(c(c1)C)N=C1C=CC(=O)C(=C1)NC(=O)C)CC	0.1	0.0
Compound_786	BrCC(CBr)O	0.89	1.0
Compound_787	CCCCNC1(C#N)CCN(CC1)Cc1ccccc1	0.03	0.0
Compound_788	CCOc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)N	0.08	0.0
Compound_789	Clc1cccs1	0.97	1.0
Compound_790	COc1c(OC)cc(cc1C(=O)O)S(=O)(=O)O	0.21	0.0
Compound_791	CCOC(=O)N1CCC(=C(C1)C=O)Cl	0.37	0.0
Compound_792	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC	0.62	1.0
Compound_793	CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C	0.92	1.0
Compound_794	CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C	0.92	1.0
Compound_795	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C	0.92	1.0
Compound_796	CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C	0.92	1.0
Compound_797	CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C	0.92	1.0
Compound_798	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C	0.92	1.0
Compound_799	CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C	0.92	1.0
Compound_800	CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C	0.92	1.0
Compound_801	O=N(=O)c1cc(ccc1C)S(=O)(=O)N(C)C	0.82	1.0
Compound_802	CNS(=O)(=O)c1ccc(c(c1)N(=O)=O)O	0.33	0.0
Compound_803	CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CCCC[C@H]12	0.04	0.0
Compound_804	CC(NS(=O)(=O)c1ccc(c(c1)N(=O)=O)Cl)C	0.59	1.0
Compound_805	CCCCNS(=O)(=O)c1ccc(c(c1)N(=O)=O)Cl	0.18	0.0
Compound_806	CCCCC1CCC(CC1)C1CCC(CC1)CCC	0.93	1.0
Compound_807	Cc1cc(Sc2cc(C)c(c(c2)C(C)(C)C)O)cc(c1O)C(C)(C)C	0.89	1.0
Compound_808	CC(c1cc(c(cc1O)C)S(=O)(=O)O)C	0.28	0.0
Compound_809	O=N(=O)c1ccc(c(c1)S(=O)(=O)N)Cl	0.68	1.0
Compound_810	O=N(=O)c1ccc(c(c1)S(=O)(=O)C)N	0.82	1.0
Compound_811	CC(=O)Nc1ccc(c(c1)S(=O)(=O)O)N	0.45	0.0
Compound_812	OCCN(C(C)C)C(C)C	0.47	0.0
Compound_813	Brc1cc(Br)c(c(c1)Br)OC(=O)c1ccccc1O	0.99	1.0
Compound_814	O=N(=O)c1cc(cc(c1Cl)C)S(=O)(=O)O	0.85	1.0
Compound_815	O=N(=O)c1ccc(c(c1)N(=O)=O)N	0.9	1.0
Compound_816	[O-]C(=O)c1cc(ccc1Cl)S(=O)(=O)N	0.08	0.0
Compound_817	O=N(=O)c1cc(ccc1C)S(=O)(=O)O	0.72	1.0
Compound_818	O=N(=O)c1cc(ccc1Cl)S(=O)(=O)C	0.85	1.0
Compound_819	O=N(=O)c1cc(ccc1Cl)S(=O)(=O)Cl	0.92	1.0
Compound_820	O=N(=O)c1cc(ccc1Cl)S(=O)(=O)N	0.64	1.0
Compound_821	CC(NCCN(C(C)C)C(C)C)C	0.19	0.0
Compound_822	OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1	0.0	0.0
Compound_823	Nc1ccc(cc1)Nc1ccc(cc1N)S(=O)(=O)O	0.7	1.0
Compound_824	CCCC1CCC(CC1)C1CCC(CC1)OC	0.97	1.0
Compound_825	Brc1ccc2c(c1)c(=O)c1c([nH]2)c2c(c(c1)Nc1nc(nc(n1)Nc1cc3c(c4c1C(=O)c1ccccc1C4=O)[nH]c1c(c3=O)cc(cc1)Br)Nc1cccc3c1C(=O)c1c(C3=O)cccc1)C(=O)c1c(C2=O)cccc1	0.41	0.0
Compound_826	CN(Cc1cc(ccc1O)C(C)(C)C)C	0.23	0.0
Compound_827	Oc1cc2c(cc1O)oc1c(c2c2ccccc2)cc(c(=O)c1)O	0.98	1.0
Compound_828	O=Cc1cc(ccc1O)N(=O)=O	0.97	1.0
Compound_829	CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)CCC	0.95	1.0
Compound_830	CC(=O)Nc1cc(ccc1O)N(=O)=O	0.43	0.0
Compound_831	CN(CCC(N(C)C)C)C	0.11	0.0
Compound_832	CN(C(=S)SSSSC(=S)N(C)C)C	0.96	1.0
Compound_833	OCC(COC(=O)C(=C)C)(COCC(CO)(CO)CO)CO	0.36	0.0
Compound_834	Nc1cccc(c1)S(=O)(=O)N	0.03	0.0
Compound_835	Cc1c(N)cc(cc1N)S(=O)(=O)O	0.57	1.0
Compound_836	Oc1ccc(cc1C)C(C)(C)C	1.0	1.0
Compound_837	Oc1ccc(cc1N)S(=O)(=O)C	0.54	1.0
Compound_838	Clc1ccc(cc1Cl)S(=O)(=O)Cl	0.99	1.0
Compound_839	Cc1ccc(cc1Cl)S(=O)(=O)O	0.62	1.0
Compound_840	Nc1ccc(cc1Cl)S(=O)(=O)O	0.85	1.0
Compound_841	Clc1ccc(cc1N)S(=O)(=O)O	0.91	1.0
Compound_842	Clc1ccc(cc1)S(=O)(=O)C	0.99	1.0
Compound_843	Brc1ccc(cc1)S(=O)(=O)Cl	0.99	1.0
Compound_844	Ic1ccc(cc1)S(=O)(=O)Cl	0.99	1.0
Compound_845	Nc1ccc(cc1)S(=O)(=O)F	0.97	1.0
Compound_846	Clc1ccc(cc1)S(=O)(=O)O	0.84	1.0
Compound_847	CCc1ccc(cc1)S(=O)(=O)O	0.32	0.0
Compound_848	SC(=O)c1ccccc1	0.8	1.0
Compound_849	Clc1cccc(c1)C(=O)C	0.97	1.0
Compound_850	Cc1cc(cc(c1)C)N(=O)=O	0.98	1.0
Compound_851	OC(=O)C(CC(=O)O)CC(=O)O	0.09	0.0
Compound_852	COC(=O)c1cc(O)c(c(c1)O)O	0.94	1.0
Compound_853	Clc1cc(cc(c1N)Br)N(=O)=O	0.77	1.0
Compound_854	CP(=S)(Cl)C	0.98	1.0
Compound_855	COC(=O)c1cccc(c1)C	0.96	1.0
Compound_856	CCOP(=O)(OCC)CCP(=O)(OCC)OCC	0.97	1.0
Compound_857	CN(C(=C(N(C)C)N(C)C)N(C)C)C	0.24	0.0
Compound_858	OC(=O)CCN(N(=O)=O)CCC(=O)O	0.18	0.0
Compound_859	BrCC(=O)c1ccc(cc1)Br	0.96	1.0
Compound_860	CCOC(=O)CCCCCCCCC(c1ccc(cc1)I)C	0.94	1.0
Compound_861	O=Nc1ccc(cc1)N(N=O)C	0.9	1.0
Compound_862	BrCC(=O)c1ccc(cc1)N(=O)=O	0.99	1.0
Compound_863	CCO/C(=C/C(=O)OCC)/C	0.47	0.0
Compound_864	CCCC(CCC)Br	0.99	1.0
Compound_865	CC(=O)c1ccc(cc1)Br	0.98	1.0
Compound_866	CC(=O)c1ccc(cc1)Cl	0.97	1.0
Compound_867	CNC(=O)CCSSCCC(=O)NC	0.14	0.0
Compound_868	O=C(c1c(Br)c(Br)c(c(c1C(=O)O)Br)Br)ONCCNOC(=O)c1c(Br)c(Br)c(c(c1C(=O)O)Br)Br	0.04	0.0
Compound_869	S=C=S	0.98	1.0
Compound_870	NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CC(=O)N)Cc1c[nH]c2c1cccc2)CC(C)C)CO)C)Cc1c[nH]c2c1cccc2)CCCCN)CC(=O)O)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)CCC(=O)O)CCC(=O)N)CCC(=O)O)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C)CO)CC(C)C)Cc1cnc[nH]1)CO)CC(C)C)CCC(=O)O)CCC(=O)O)CO)CCC(=O)N)CC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)O	0.01	0.0
Compound_871	OCC(C(C(=O)O)O)(C)C	0.11	0.0
Compound_872	CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C	0.52	1.0
Compound_873	CCC1(O)CCC2C1(C)CCC1C2CCC2C1CCC(C2)O	0.52	1.0
Compound_874	OC(=O)CON=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C	0.1	0.0
Compound_875	CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12	0.9	1.0
Compound_876	O=C1C=CC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C	0.21	0.0
Compound_877	N#CC(c1c(Cl)cccc1Cl)c1ccc(cc1)Cl	0.92	1.0
Compound_878	N#Cc1c(N)nc(nc1N)N	0.51	1.0
Compound_879	Clc1ccc(cc1)Cc1c(Cl)cc(cc1Cl)n1ncc(=O)[nH]c1=O	0.06	0.0
Compound_880	COc1ccc(cc1Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O	0.71	1.0
Compound_881	NC(=O)c1cc(cc(c1C)N)N(=O)=O	0.89	1.0
Compound_882	OC(=O)c1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F	0.14	0.0
Compound_883	OCc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F	0.25	0.0
Compound_884	Cc1n(C)n(c(=O)c1N=Cc1ccccc1)c1ccccc1	0.15	0.0
Compound_885	OC1c2[nH]ncc2CC2(C1CCC1C2CCC2(C1CCC2(C)O)C)C	0.06	0.0
Compound_886	OC1C2C(N(C)C)C(=O)C(=C(C2(O)C(=O)C2=C(O)c3c(C(C12)(C)O)cccc3)O)C(=O)N	0.39	0.0
Compound_887	O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2O)O	0.22	0.0
Compound_888	O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2O)O	0.14	0.0
Compound_889	Oc1ccc(cc1)C1CN2C(=N1)SCC2	0.06	0.0
Compound_890	CCOc1c(OC)cc(cc1OC)Cc1cnc(nc1N)N	0.23	0.0
Compound_891	COC(=O)Nc1nc2c([nH]1)cc(cc2)SC	0.43	0.0
Compound_892	Cc1[nH]c(=S)[nH]c(=O)c1C	0.12	0.0
Compound_893	OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2C1(C)CCC(=O)C2	0.24	0.0
Compound_894	CCc1c[nH]c(=S)[nH]c1=O	0.68	1.0
Compound_895	Oc1ccc(nc1)NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C	0.03	0.0
Compound_896	Oc1ccc(nc1)NC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C	0.02	0.0
Compound_897	NN=Cc1ccc(o1)N(=O)=O	0.21	0.0
Compound_898	OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F	0.16	0.0
Compound_899	CN(C(C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)C)C	0.17	0.0
Compound_900	N#Cc1nn(c(c1C1(CC1(F)F)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.4	0.0
Compound_901	COCC1OC(OC2OCC3C(C2OC(=O)C)OC2(O3)OC(C)C(C3C2OCO3)(O)C(=O)C)C(C(C1OC1OC(C)C(C(C1O)OC1OC(C)C2C(C1)(C)OC1(O2)CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC(=O)c1c(C)c(Cl)c(c(c1OC)Cl)O)OC)O)OC	0.32	0.0
Compound_902	COc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C	0.4	0.0
Compound_903	O=C(C(Cl)Cl)NC(C(c1ccc(cc1)N(=O)=O)O)COC1OC(C(=O)O)C(C(C1O)O)O	0.01	0.0
Compound_904	N#CC(c1ccc(cc1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl	0.04	0.0
Compound_905	CCCC(NCC(c1cc(Cl)c(c(c1)Cl)N)O)(C)C	0.01	0.0
Compound_906	OC(c1ccc(c(c1)O)O)CNC(C)(C)C	0.01	0.0
Compound_907	CC(CCc1ccc(cc1)O)NCCc1ccc(cc1)O	0.03	0.0
Compound_908	OCC(=O)C1(O)CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F	0.11	0.0
Compound_909	COc1ccc(cc1F)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)F	0.31	0.0
Compound_910	CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CS	0.0	0.0
Compound_911	OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C1CCCCC1	0.25	0.0
Compound_912	Fc1cc2c3c(c1N1CCNCC1)OCC(n3cc(c2=O)C(=O)O)C	0.0	0.0
Compound_913	CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)OC1OC(C(=O)O)C(C(C1O)O)O	0.49	0.0
Compound_914	CCC1C(OC2CC(O)C(C(O2)C)O)CC(OC1C)(O)C(C(C(C1OC(=O)C=CC=CC(C)C(OC(=O)C=CC=CC1C)C(C(C(C1(O)CC(OC2CC(O)C(C(O2)C)O)C(C(O1)C)CC)C)O)C)C)O)C	0.42	0.0
Compound_915	COC(=O)Nc1nc2c([nH]1)cc(cc2)C(c1ccc(cc1)F)O	0.33	0.0
Compound_916	Clc1cc2[nH]c(=O)[nH]c2cc1Oc1cccc(c1Cl)Cl	0.14	0.0
Compound_917	O=CCC1CC(C)C(O)C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)O)OC)O)C	0.03	0.0
Compound_918	CCCCCC(=O)OC1C(C)OC(CC1(C)O)OC1C(C)OC(C(C1N(C)C)O)OC1C(CC=O)CC(C)C(O)C=CC=CCC(OC(=O)CC(C1OC)O)C	0.01	0.0
Compound_919	O=CCC1CC(C)C(O)C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CCC)OC)OC(=O)C)C	0.01	0.0
Compound_920	O=CCC1CC(C)C(O)C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CCC)OC)O)C	0.01	0.0
Compound_921	COC(=O)Nc1nc2c([nH]1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F	0.9	1.0
Compound_922	OCC(C(c1cccc(c1)N(=O)=O)O)NC(=O)C(Cl)Cl	0.08	0.0
Compound_923	OC1CCC2(C(=CCC3C2CCC2(C3CCC2(C)O)C)C1)C	0.11	0.0
Compound_924	O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNCC(c1ccccc1)O	0.06	0.0
Compound_925	CC(C=C(C1OC2(CC3CC(O2)CC=C(C)CC(C)C=CC=C2C4(C(C(=O)O3)C=C(C)C(C4OC2)O)O)CC(C1C)O)C)C	0.38	0.0
Compound_926	O=CCC1CC(C)C(C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)O)OC)O)C)OC1CCC(C(O1)C)N(C)C	0.03	0.0
Compound_927	COc1c(N2CCN(C(C2)C)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1	0.0	0.0
Compound_928	CC(=O)OC1(CCC2C1(C)CC(C)C1C2CCC2=CC(=O)CCC12)C(=O)C	0.75	1.0
Compound_929	O=C1NC(=O)N(C1)N=Cc1ccccc1N(=O)=O	0.13	0.0
Compound_930	N#Cc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)C#N)(O)C	0.18	0.0
Compound_931	CN1C(=O)C23CC4C1(CN2CCC3(C)O)CC1(C4(C)C)C(=O)Nc2c1ccc1c2OC=CC(O1)(C)C	0.05	0.0
Compound_932	O=C1Nc2c(C31CC14C(C3(C)C)CC3(N(C1)CCC3C)C(=O)N4C)ccc1c2OC=CC(O1)(C)C	0.06	0.0
Compound_933	O=C(Cc1ccccc1)NC1CN2C1SC(C2C(=O)O)(C)C	0.01	0.0
Compound_934	OC(=O)c1cnc2c(n1)cccc2	0.14	0.0
Compound_935	Clc1ccc(cc1)C(=O)c1ccc(cc1Cl)NC(=O)c1cc(I)cc(c1O)I	0.94	1.0
Compound_936	NS(=O)(=O)N	0.24	0.0
Compound_937	O=c1[nH]c(=O)[nH]cc1NS(=O)(=O)O	0.06	0.0
Compound_938	CCCNCC1(O)C(C)OC(CC1(C)OC)OC1C(C)C(=O)OC(C(C)NCC(CC(C(C1C)OC1OC(C)CC(C1O)N(C)C)(C)O)C)C(C(CC)O)(O)C	0.01	0.0
Compound_939	CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2N(C(=O)C(N(C(=O)C3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)CCC(=O)C2)c1ccccc1	0.02	0.0
Compound_940	OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C	0.0	0.0
Compound_941	CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2OC(=O)C)C	0.8	1.0
Compound_942	CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSSCC(C(=O)O)N	0.0	0.0
Compound_943	OC(=O)c1nc2ccccc2nc1C	0.13	0.0
Compound_944	CN(C1C(=O)C(=C(C2(C1CC1C(=C(O)c3c(C1O)c(Cl)ccc3O)C2=O)O)O)C(=O)N)C	0.06	0.0
Compound_945	OC(=O)Cc1cccc(c1N)C(=O)c1ccccc1	0.04	0.0
Compound_946	CN(=O)(CCCOc1nn(c2c1cccc2)Cc1ccccc1)C	0.24	0.0
Compound_947	CCC(CCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])C(O)C)CCNCS(=O)(=O)[O-])C(O)C)CCNCS(=O)(=O)[O-])C	0.07	0.0
Compound_948	OC(=O)Cc1cc(N(=O)=O)c(c(c1)N(=O)=O)O	0.34	0.0
Compound_949	CCCNC(C(=O)Nc1c(C)csc1C(=O)O)C	0.01	0.0
Compound_950	CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C	0.17	0.0
Compound_951	OC1CCC2(C(=CCC3C2CCC2(C3CC=C2c2cccnc2)C)C1)C	0.34	0.0
Compound_952	CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C	0.01	0.0
Compound_953	O=NC(=c1[nH]sc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C=C1CCN(C1=O)C1CNCC1	0.0	0.0
Compound_954	CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C	0.01	0.0
Compound_955	CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C	0.29	0.0
Compound_956	COC(=O)NCC(C(=O)N1CCCC1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)C1CCCN1C(=O)C(C(C)C)NC(=O)OC)C(C)C	0.01	0.0
Compound_957	CN1CCc2c(C1)sc(n2)C(=O)NC1CC(CCC1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C	0.01	0.0
Compound_958	CCCCCCCC(=O)NC(C(c1ccc2c(c1)OCCO2)O)CN1CCCC1	0.01	0.0
Compound_959	OCC(n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C	0.03	0.0
Compound_960	O=C(NC(Cc1ccccc1)CCC(Cc1ccccc1)NC(=O)C(NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1)OCc1cncs1	0.01	0.0
Compound_961	OCC1OC(c2ccc(c(c2)Cc2ccc(cc2)OC2COCC2)Cl)C(C(C1O)O)O	0.16	0.0
Compound_962	CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N	0.02	0.0
Compound_963	NCC(CC1OC2C(C1OC)CC(=O)CC1CCC3C(O1)C1OC4(CCC5OC(CCC6OC(C2)C(=C)C(C6)C)C(=C)C5)OC2C(O3)C1OC2C4)O	0.02	0.0
Compound_964	COC1C(OCC2=CC=CCC(O)C(=CC(CC)C(C(=CC(=CCC(OC2=O)C(O)C)C)C)OC2OC(C)(C)C(C(C2O)O)OC(=O)C(C)C)C)OC(C(C1O)OC(=O)c1c(O)c(Cl)c(c(c1CC)Cl)O)C	0.07	0.0
Compound_965	FCCOCCOCCOc1ccc(cc1)C=Cc1ccc(cc1)NC	0.85	1.0
Compound_966	COCCNC(=O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)NCCOC)CC(=O)O	0.02	0.0
Compound_967	Fc1ccc(c(c1)C(CC(C(F)(F)F)(Cc1cc2c([nH]1)cncc2)O)(C)C)O	0.53	1.0
Compound_968	COC(=O)NC(C(=O)N1CC2(CC1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)c1ccc3c(c1)[nH]c(n3)C1C3CCC(N1C(=O)C(C(C)C)NC(=O)OC)C3)CC2)C(C)C	0.02	0.0
Compound_969	CC(OC(=O)C(NP(=O)(Oc1ccccc1)OCC1OC(C(C1O)(C)F)n1ccc(=O)[nH]c1=O)C)C	0.01	0.0
Compound_970	OC(=O)CCC1NC(=O)C2CSSCC3NC(=O)C(C)NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccc(cc1)O)CSSCC(NC(=O)CNC(=O)C(NC3=O)C(O)C)C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CSSCC(C(=O)N2)N)CC(=O)N)CCC4	0.0	0.0
Compound_971	NCCCCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C	0.02	0.0
Compound_972	O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2	0.01	0.0
Compound_973	CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C	0.0	0.0
Compound_974	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c1ccccc1)Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C	0.01	0.0
Compound_975	O=C1CCC2C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)C	0.42	0.0
Compound_976	COC(=O)NC(C(=O)N1CCCC1C(=O)Nc1ccc(cc1)C1CCC(N1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)OC)C(C)C	0.03	0.0
Compound_977	COCCOC(=O)NC(C(=O)NCCCCCCCOP(=O)(O)C)CCCCNC(=O)OCCOC	0.12	0.0
Compound_978	OC(CC(C=Cc1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O	0.07	0.0
Compound_979	COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N	0.0	0.0
Compound_980	CCOC(=O)Nc1ccc(cc1N)NCc1ccc(cc1)F	0.14	0.0
Compound_981	FC(Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl)F	0.05	0.0
Compound_982	OCCCN1CCc2c1c(cc(c2)CC(NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N	0.0	0.0
Compound_983	COc1ccc2c(c1C)nc(cc2OC1CC2C(C1)C(=O)N(C)CCCCC=CC1C(NC2=O)(C1)C(=O)NS(=O)(=O)C1CC1)c1scc(n1)C(C)C	0.03	0.0
Compound_984	CCCC(C(=O)C(=O)NC1CC1)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)C(C1CCCCC1)NC(=O)c1nccnc1	0.02	0.0
Compound_985	N#CC(=C(O)C)C(=O)Nc1ccc(cc1)C(F)(F)F	0.22	0.0
Compound_986	CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C	0.01	0.0
Compound_987	OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1	0.01	0.0
Compound_988	OCc1cc(ccc1O)C(CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O	0.08	0.0
Compound_989	CN(CC=CC(=O)Nc1cc2c(ncnc2cc1OC1COCC1)Nc1ccc(c(c1)Cl)F)C	0.11	0.0
Compound_990	OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br	0.02	0.0
Compound_991	COC1C(=O)C2(C)C(OC)CC3C(C2C(C2(C(C1=C(C)C(OC(=O)C(C(c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.2	0.0
Compound_992	OCC1OC(c2ccc(c(c2)Cc2ccc(s2)c2ccc(cc2)F)C)C(C(C1O)O)O	0.47	0.0
Compound_993	Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C	0.03	0.0
Compound_994	CCCCCCCCCCNCC=C	0.84	1.0
Compound_995	Fc1ccc(c(c1)F)CNC(=O)c1cn2CC3OCCC(N3C(=O)c2c(c1=O)O)C	0.01	0.0
Compound_996	OCC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1	0.05	0.0
Compound_997	O=C(NC(C)(C)C)NC(C(C)(C)C)C(=O)N1CC2C(C1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C	0.02	0.0
Compound_998	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O	0.04	0.0
Compound_999	OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)C1CC(=O)NC(=O)N1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1	0.05	0.0
Compound_1000	N#CC(=NNc1ccc(cc1)C1=NNC(=O)CC1C)C#N	0.11	0.0