Index	SMILES	Probability	Label
Compound_1	O=C(Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)Nc1ccc(c2c1cccc2)OCCN1CCOCC1	0.0	0.0
Compound_2	ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)C(F)(F)F	0.38	0.0
Compound_3	CC[C@H]([C@H](C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)NCCCCN=C(N)N)OS(=O)(=O)O)NC(=O)[C@@H](Cc1ccc(cc1)O)O)C	0.04	0.0
Compound_4	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)NC(=O)C)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O)NC(=O)C	0.01	0.0
Compound_5	CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1cccc(c1)OCC(=O)O)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC	0.1	0.0
Compound_6	OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@@H]([C@H]2O)CO)[C@H]([C@H]([C@@H]1O)O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)O)O)O	0.03	0.0
Compound_7	O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C(=O)c1cnc(c(n1)Cl)N1CCN(CC1)C)C[C@H](C(=O)N[C@H]1[C@@H](C)CC[C@H]1O)Cc1ccccc1	0.01	0.0
Compound_8	O[C@@H](C[C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)Cc1ccccc1)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc1cc2c(o1)cccc2	0.02	0.0
Compound_9	O=C([C@@H](C[C@H]([C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)OCc1ccccc1)O)OCc1ccccc1)N[C@@H]1[C@H](O)Cc2c1cccc2	0.02	0.0
Compound_10	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1ccc(=O)[nH]c1=O)O)O)n1cnc2c1ncnc2N	0.01	0.0
Compound_11	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(O)cc(=O)[nH]c1=O)COP(=O)(O)O	0.02	0.0
Compound_12	O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)C)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.01	0.0
Compound_13	CC[C@@H]([C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NC)[C@H](CC)C)OCc1ccccc1)O)O)OCc1ccccc1)C	0.04	0.0
Compound_14	CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)OCc1ccccc1)O)O)OCc1ccccc1	0.05	0.0
Compound_15	O=C([C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)OCc1ccccc1F)O)O)OCc1ccccc1F)N[C@@H]1[C@H](O)Cc2c1cccc2	0.02	0.0
Compound_16	O=C(N[C@H](C(=O)N[C@H](CCS(=O)(=O)Oc1ccc(cc1)N(=O)=O)CCc1ccccc1)Cc1ccccc1)OCc1ccccc1	0.64	1.0
Compound_17	O[C@@H](C[C@@H]([C@@H](c1ccccc1)C)C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc1ccc2c(c1)OCO2	0.02	0.0
Compound_18	O=C(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CCCCCCCC[C@H]1C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O	0.03	0.0
Compound_19	O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)O)O)O)O[C@H]([C@@H]1OP(=O)(O)O)n1cnc2c1ncn1c2ncc1	0.01	0.0
Compound_20	OC(=O)[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1cccc2N(C)C	0.29	0.0
Compound_21	COC(=O)c1cc(ccc1C(C(=O)O)(C(=O)O)F)C[C@@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)NC(=O)C	0.01	0.0
Compound_22	O[C@@H]1[C@H](O)[C@H](C[C@H]1[n+]1cccc(c1)C(=O)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.01	0.0
Compound_23	OP(=O)([C@H](c1cccc2c1cccc2)C(=O)c1cc2ccccc2cc1C(=O)N(C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2)C)O	0.02	0.0
Compound_24	CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)ccc(c2)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N	0.11	0.0
Compound_25	CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@@H](N(C1=O)C)Cc1ccccc1)C(=O)O)C(=O)O	0.02	0.0
Compound_26	OC(=O)CCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@@H](C2=O)NC(=O)[C@@H]2N(C(=O)[C@@H](NC1=O)CCCN/C(=N\C(=O)C)/N)CCC2	0.01	0.0
Compound_27	OC[C@H]1OC[C@H](C1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)OCc1ccccc1)O)O)OCc1ccccc1	0.03	0.0
Compound_28	CCCCCC(=O)CP(=O)(O)O	0.43	0.0
Compound_29	Clc1ccc2c(c1Cl)CNCC2	0.02	0.0
Compound_30	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O[C@@]1(C[C@H](O)[C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)C(=O)O)O	0.02	0.0
Compound_31	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]2O)CO)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_32	O[S@](=O)c1ccccc1c1ccccc1	0.96	1.0
Compound_33	O=C(c1ccccc1)/C=C/C=C(/C(=O)O)\O	0.36	0.0
Compound_34	OC(P(=O)(O)O)P(=O)(O)O	0.02	0.0
Compound_35	N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)C)(C)C	0.02	0.0
Compound_36	CC[C@H]1CNCc2c1cc(cc2)NC(=O)c1ccc2c(c1)ccc(c2)C(=N)N	0.15	0.0
Compound_37	O[C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)CNCP(=O)(O)O	0.2	0.0
Compound_38	SC[C@@H](C(=O)NCC(=O)O)NC(=O)OCc1ccccc1	0.02	0.0
Compound_39	CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O	0.32	0.0
Compound_40	Fc1ccc(cc1F)C(n1nnc2c1cccc2)(Cc1ccc(cc1)C(P(=O)(O)O)(F)F)Cc1ccc(cc1)C(P(=O)(O)O)(F)F	0.33	0.0
Compound_41	COc1cc(O)c(cc1O)NC(=O)CCc1c(Cl)c(O)cc(c1C(=O)OC)O	0.11	0.0
Compound_42	Fc1ccc(c(c1)F)[C@]1(C)OC(=O)N(C1=O)Nc1ccccc1	0.51	1.0
Compound_43	CC(C[C@@H](C(=O)N[C@H]([C@@H](O)C)Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C	0.02	0.0
Compound_44	Oc1c(ncc2c1cccc2I)C(=O)NCC(=O)O	0.02	0.0
Compound_45	Cc1cccc(c1)c1cc2c([nH]1)ccc(c2)C(=N)N	0.24	0.0
Compound_46	Cc1ccccc1c1cc2c([nH]1)cc(cc2)C(=N)N	0.08	0.0
Compound_47	NC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](N1)CNC(=O)Nc1ccc(cc1)C(=O)OC	0.02	0.0
Compound_48	CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O	0.06	0.0
Compound_49	N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)OC(=O)N1CCOCC1	0.09	0.0
Compound_50	Cc1ccccc1c1cc2c([nH]1)ccc(c2)C(=N)N	0.16	0.0
Compound_51	OC[C@H]1CN(CCCc2ccccc2)C[C@H]([C@@H]1O)O	0.01	0.0
Compound_52	Clc1ccc(cc1)[C@](c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1)Cl)N	0.02	0.0
Compound_53	CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2	0.05	0.0
Compound_54	Brc1cnn2c1cc(cc2NCc1cncnc1)c1ccccc1	0.68	1.0
Compound_55	O=n1cccc(c1)CNc1cc(nc2n1ncc2Br)c1ccccc1C	0.4	0.0
Compound_56	O[C@@H]1[C@@H](COS(=O)(=O)/N=C(/[C@@H](N)C)\O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.11	0.0
Compound_57	SC[C@@H](C(=NS(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)N	0.06	0.0
Compound_58	CCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O	0.09	0.0
Compound_59	CCCCCCC(P(=O)(O)O)(P(=O)(O)O)O	0.1	0.0
Compound_60	O=C(Nc1ncc(s1)Sc1ccccn1)NCc1ncc([nH]1)c1ccc(cc1)OCC(=O)O	0.02	0.0
Compound_61	NCc1ccc2c(c1)C1(CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1)CO2	0.02	0.0
Compound_62	OP(=O)([C@H](S(=O)(=O)O)CCCc1cccc(c1)Oc1ccccc1)O	0.11	0.0
Compound_63	NNC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)S(=O)(=O)N	0.01	0.0
Compound_64	OC(=O)C[C@H]1OC(=C2C(=Cc3c(C2=O)c(O)ccc3)C1)C	0.44	0.0
Compound_65	SCCCS(=O)(=O)c1ccc(cc1)OCC#CC	0.83	1.0
Compound_66	C[C@H](c1ccc(cc1)c1ccc(cc1)[C@H](CNS(=O)(=O)C)C)CNS(=O)(=O)C	0.36	0.0
Compound_67	N#CCc1ccc(cc1)Nc1nc(NC)cc(n1)Nc1n[nH]c(c1)C1CC1	0.16	0.0
Compound_68	CN1CCC2(CC1)NC(=O)c1c([C@H]2C#N)c2ccc(c(c2n1C)Cl)Cl	0.02	0.0
Compound_69	CCCc1nn(c2c1nc([nH]c2=O)c1cc(sc1OCC)S(=O)(=O)N)C	0.34	0.0
Compound_70	NCCc1ccc(c(c1)CC)O	0.08	0.0
Compound_71	NCCc1ccc(c(c1)C1CCCCC1)O	0.08	0.0
Compound_72	CC[C@H](Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC)C	0.12	0.0
Compound_73	Cc1ccc2c(c1)N=C1[C@@](C2=O)(O)CCN1c1ccccc1	0.01	0.0
Compound_74	Cc1cccc2c1C(=O)[C@]1(C(=N2)N(CC1)c1ccccc1)O	0.01	0.0
Compound_75	O=C1c2ccccc2N=C2[C@@]1(O)CCN2c1ccccc1	0.0	0.0
Compound_76	c1ccc(cc1)Nc1c[nH]c2c1cccn2	0.26	0.0
Compound_77	N[C@H](C(=C1CCCC1)F)[C@@H](c1onc(n1)c1ccc(cc1Cl)S(=O)(=O)C)CC1CC1	0.0	0.0
Compound_78	COc1cccc(c1)Cc1c[nH]c2c1cccn2	0.52	1.0
Compound_79	Clc1ccc(nc1)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(cc1)n1ccccc1=O	0.08	0.0
Compound_80	O=C(N1CCCC(C1)(C)C)c1cccc(n1)c1ccc(c(c1)F)C	0.19	0.0
Compound_81	O=C(Nc1ccc(cc1)OCc1ccccc1)CC[C@@H](C(=O)O)N	0.03	0.0
Compound_82	C[C@@H]1C[C@H](C)CN(C1)C(=O)c1cc(Br)ccc1N	0.09	0.0
Compound_83	Brc1ccc(c(c1)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl)N	0.41	0.0
Compound_84	C[C@@H]1C[C@H](C)CN(C1)C(=O)c1cc(Br)ccc1NC(=O)CCC(=O)O	0.01	0.0
Compound_85	C[C@@H]1C[C@H](C)CN(C1)C(=O)c1cc(Br)ccc1NC(=O)CCC(=O)N1CCOCC1	0.05	0.0
Compound_86	O=C([C@@H](c1ccccc1)Cc1ccc(c(c1)Br)C(P(=O)(O)O)(F)F)c1ccccc1	0.42	0.0
Compound_87	N#C[C@@H]1c2c(C(=O)NC31CCNCC3)n(c1c2ccc(c1)Cl)C	0.02	0.0
Compound_88	O=N(=O)c1ccc(cc1)N1CCN([C@@H](C1)C)S(=O)(=O)c1ccc(cc1)C(C)(C)C	0.2	0.0
Compound_89	COCCNc1cc(ccc1C(=O)N)n1c2ccccc2c2c1CCCC2=O	0.0	0.0
Compound_90	Fc1ccc(c(c1)C[C@H](c1ccc(cc1)c1cccc(c1)C(=O)N)N)F	0.22	0.0
Compound_91	N[C@H](C(=O)O)Cc1ccc(cc1)CC(F)(F)F	0.01	0.0
Compound_92	OC[C@H]1O[C@@H](Oc2ccc(cc2N(=O)=O)N(=O)=O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)F	0.03	0.0
Compound_93	CC(C[C@@H](C(=O)N[C@H](P(=O)(O)O)Cc1c[nH]c2c1cccc2)NC(=O)c1ccco1)C	0.05	0.0
Compound_94	CCCC[C@@H](NC(=O)CCCCCCCCCCC)CO[P@](=O)(OCCO)O	0.19	0.0
Compound_95	FCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)C)CC(=O)O	0.02	0.0
Compound_96	ClCCN([P@@]1(=O)OCC[C@@H](N1)SCCS(=O)(=O)O)CCCl	0.2	0.0
Compound_97	Nc1nc(N)c2c(n1)n(CCOCP(=O)(O)O)cn2	0.07	0.0
Compound_98	O[C@@H](CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1)COc1cccc2c1cccn2	0.01	0.0
Compound_99	CN[C@H]1CN(C[C@@H]1OC)c1ccc2c(n1)n(cc(c2=O)C(=O)O)c1nccs1	0.0	0.0
Compound_100	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)NC(=O)c1cc(OC)cc(c1)OC)n1cnc2c1ncnc2NCc1cccc2c1cccc2	0.01	0.0
Compound_101	FCC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C	0.04	0.0
Compound_102	FCC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C	0.04	0.0
Compound_103	N[C@@H]1[C@@H]2CC[C@H]1c1c2c(ccc1)C(F)(F)F	0.34	0.0
Compound_104	O[C@H]1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.16	0.0
Compound_105	OC(=O)C1=NCCC1	0.02	0.0
Compound_106	c1cnc([nH]1)Nc1ccc(cc1)Nc1ccc(cc1)Nc1ncc[nH]1	0.9	1.0
Compound_107	Cc1ccc(cc1)S(=O)(=O)N=C(Nc1ccc(cc1)S(=O)(=O)N)O	0.02	0.0
Compound_108	O=C1C(=O)C2C1NCCCN2CCP(=O)(O)O	0.01	0.0
Compound_109	O=[S@](c1ccccc1O)CCCCP(=O)(O)O	0.51	1.0
Compound_110	CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)c1ccccc1)c1ccccc1	0.03	0.0
Compound_111	OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)O	0.05	0.0
Compound_112	CC(=O)N[C@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O	0.01	0.0
Compound_113	Oc1cc2CC[C@H]3[C@H](c2cc1O)c1ccccc1CN3	0.08	0.0
Compound_114	Nc1nc(Sc2ccccc2)c2c(n1)n(CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cn2	0.3	0.0
Compound_115	O=C(c1ccc2c(c1)ccc(c2)C(=N)N)Nc1ccc2c(c1)[C@@H](NCC2)C(C)C	0.12	0.0
Compound_116	NCCO/N=C/c1c2Cn3c(c2nc2c1cccc2)cc1c(c3=O)COC(=O)[C@]1(O)CC	0.0	0.0
Compound_117	CCCC[P@@](=O)(CCCN)O	0.46	0.0
Compound_118	CCCC[C@H](NC(=O)O[C@@H](C(C)C)Cc1ccccc1)C=O	0.03	0.0
Compound_119	C=CCOC(=O)N[C@H](C(=O)NCCCCOc1cccc(c1C(=O)OC)O)Cc1ccc(cc1)N(c1ccccc1C(=O)O)C(=O)C(=O)O	0.07	0.0
Compound_120	CCCC[C@H](NC(=O)OC1(CCCC1)Cc1ccccc1)C=O	0.07	0.0
Compound_121	COC(=O)C[C@@H]1C[C@H](NC1=O)COc1ccc(cc1)c1ccc(cc1)C(=N)NC(=O)OC	0.01	0.0
Compound_122	C=CC(=O)Nc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F	0.03	0.0
Compound_123	OC(=O)COc1ccc(cc1P(=O)(O)O)C[C@@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)NC(=O)C	0.02	0.0
Compound_124	CCCCC[C@@](/C=C/[C@H]1[C@@H](O)C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)(O)C	0.12	0.0
Compound_125	OCC1(CO)C/C/1=C/n1cnc2c1nc(N)[nH]c2=O	0.0	0.0
Compound_126	CN(CCNC(=O)c1cccc2c1nc1c(Br)cccc1c2N)C	0.02	0.0
Compound_127	C=CC[C@@H]1CN(C)CC[C@@]1(OC(=O)CC)c1ccccc1	0.04	0.0
Compound_128	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C	0.0	0.0
Compound_129	CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)C#N	0.01	0.0
Compound_130	CCC=CCC=CCC=CCC=CCC=CC=C[C@H](CCC(=O)O)O	0.22	0.0
Compound_131	CC(C[C@@H]([C@H](C[C@H](C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C)C)O)NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N1)C(C)C)C	0.01	0.0
Compound_132	Fc1ccc(cc1)CC1CCN(CC1)C(=O)C(=O)Nc1ccc2c(c1)oc(n2)O	0.01	0.0
Compound_133	CCCC/C(=C/C=C(C(=O)c1c(O)cc(oc1=O)CCC/C=C/NC(=O)OC)C)/C	0.22	0.0
Compound_134	O=c1[nH]c2c3ccc(cc3Cc2c2c1cccc2)S(=O)(=O)NCCCN1CCOCC1	0.02	0.0
Compound_135	OCCN1CCN(CC1)C(=O)N1[C@H](c2ccc(cc2)Br)[C@@H](N=C1c1ccc(cc1OCC)OC)c1ccc(cc1)Br	0.0	0.0
Compound_136	COc1cc2cnc3c(c2cc1OC)Cc1c3cc2c(c1)OCO2	0.9	1.0
Compound_137	ONC(=O)CCCP(=O)(O)O	0.06	0.0
Compound_138	O=C1CC[C@@]2([C@@]3(C1)CCN([C@@H]2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O	0.01	0.0
Compound_139	FC(c1ccc2c(c1)[C@H]1CNC[C@@H]2C1)(F)F	0.08	0.0
Compound_140	CCCCNc1cc(C)nc2n1nc(n2)Nc1cc(Cl)ccc1C	0.01	0.0
Compound_141	O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13[C@]4([C@H]2O)[C@H](OC3=O)[C@@H]([C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O	0.44	0.0
Compound_142	CCCCCCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O	0.08	0.0
Compound_143	CC[C@H]1O[C@@]2([C@@H]([C@@]1(C)O[C@H]([C@@H]2O)/C=C/C=C/C=C/c1oc(=O)cc(c1C)OC)OC(=O)C)C	0.21	0.0
Compound_144	Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1	0.03	0.0
Compound_145	Clc1ccc(cc1)C1=C(O)C(=Cc2cccc3c2cccc3)OC1=O	0.86	1.0
Compound_146	Clc1ccc2c(c1)C(=Cc1c([C@H]2C2CCN(CC2)S(=O)(=O)C)nccc1)N1CCNCC1	0.01	0.0
Compound_147	CC[C@H](C(=O)O)Cc1ccc(c(c1)CNC(=O)c1ccc(cc1F)C(F)(F)F)OC	0.04	0.0
Compound_148	OCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC([C@@H]1C(=O)NO)(C)C	0.09	0.0
Compound_149	CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N	0.02	0.0
Compound_150	Fc1ccc(c(c1)C1=C[C@H](N(C1)C(=O)N(C)C)c1ccccc1)F	0.08	0.0
Compound_151	Clc1ccc(cc1)Cc1nc2c3CCCCc3ccc2c(c1O)C(=O)O	0.21	0.0
Compound_152	Clc1ccc2c(c1)c(cs2)[C@H](P(=O)(O)O)C(=O)Nc1ccc2c(c1)cccc2	0.51	1.0
Compound_153	Cc1cccc(c1Nc1ncc(n2c1cnc2)c1ccccc1)C	0.09	0.0
Compound_154	OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.01	0.0
Compound_155	O=C(Nc1ccccc1C(=O)O)CNc1cc(Cl)c(cc1C(=O)C)F	0.01	0.0
Compound_156	NCCCNc1ccc(cc1N(=O)=O)C	0.4	0.0
Compound_157	C[C@@]1(CSC(=N1)c1cccc(c1O)OCCOCCOCCOC)C(=O)O	0.02	0.0
Compound_158	N#Cc1cccc(c1)[C@@H]([C@@H](NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl	0.02	0.0
Compound_159	CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O	0.5	0.0
Compound_160	N#Cc1ccc(cc1C(F)(F)F)NC(=O)[C@@]1(C)NN=C(C1)C(F)(F)F	0.03	0.0
Compound_161	O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1	0.0	0.0
Compound_162	OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)NC(=O)C(Br)Br	0.11	0.0
Compound_163	CCc1ccc(o1)C=C1SC(=NC1=O)N[C@H](c1nn[nH]n1)c1ccc(cc1)F	0.08	0.0
Compound_164	OCCNC(=O)CN1C(=O)[C@@H](NC(=O)c2cc3c([nH]2)sc(c3)Cl)Cc2c1cccc2	0.02	0.0
Compound_165	COC(=O)c1c(Cl)cccc1c1ccc(c(c1)F)[C@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)C	0.04	0.0
Compound_166	Cc1cc(c2c(c1)c(=O)c(c(o2)c1ccc(c(c1)O)O)O)N1CCCS1(=O)=O	0.02	0.0
Compound_167	N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(cc1F)F)N1CCn2c(C1)nnc2C(F)(F)F	0.01	0.0
Compound_168	COc1ccc(cn1)c1ncnc(c1)N1C[C@@H]([C@H](C1)c1cc(F)c(cc1F)F)N	0.01	0.0
Compound_169	CCCOc1ccc(cc1)c1csc(c1CC(=O)N=C(N)N)c1ccccc1Cl	0.21	0.0
Compound_170	O=c1cc(CCc2ccc3c(c2)[nH]cc3)nc([nH]1)N	0.05	0.0
Compound_171	COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)OC	0.02	0.0
Compound_172	O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)N[C@@H]1CC[C@H](CN(C1=O)CC(F)(F)F)c1cccc(c1F)F	0.0	0.0
Compound_173	CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO	0.16	0.0
Compound_174	O=C(c1ccc(cc1)/C=C/c1cnc2c(c1)cccc2)Nc1cc(n(c1)C)C(=O)Nc1cc(n(c1)C)C(=O)NCCN1CCOCC1	0.0	0.0
Compound_175	Clc1cc(cnc1Cl)N1C[C@@H]2[C@H](C1)CN2	0.02	0.0
Compound_176	CN(CCNC(=O)c1csc(n1)NC(=O)c1ccc2c(c1)c1[C@@H](C)CNC(=O)c1[nH]2)C	0.01	0.0
Compound_177	Brc1cnn2c1nc(cc2NCc1ccncc1)c1ccccc1	0.15	0.0
Compound_178	Clc1c(Cl)cccc1c1cc(NCc2ccncc2)n2c(n1)ccn2	0.75	1.0
Compound_179	Brc1cnn2c1nc(cc2NCc1cccnc1)c1ccccc1	0.12	0.0
Compound_180	c1ccc(cc1)c1cc(NCc2cccnc2)n2c(n1)c(cn2)C1CC1	0.25	0.0
Compound_181	OCc1cnn2c1nc(cc2NCc1cccnc1)c1ccccc1	0.15	0.0
Compound_182	COc1cc(OC)c(c(c1)OC)/C=C/S(=O)(=O)Cc1ccc(c(c1)OP(=O)(O)O)OC	0.88	1.0
Compound_183	NCCOc1c(Cl)cc(cc1Cl)C(=O)Nc1cccc(c1)OC(C)C	0.17	0.0
Compound_184	Clc1cccc(c1)[C@@H](Oc1cccc2c1c(N)nc(n2)N)C	0.78	1.0
Compound_185	Nc1nc(N)c2c(n1)cccc2OCC1CCN(CC1)Cc1ccccc1F	0.03	0.0
Compound_186	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)N1CCOCC1)OCO2	0.09	0.0
Compound_187	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)C)OCO2	0.12	0.0
Compound_188	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)OCO2	0.04	0.0
Compound_189	N#Cc1cc(cc(c1)Cl)Oc1cc(ccc1Cl)OCc1n[nH]c2c1cccc2	0.61	1.0
Compound_190	ONC(=O)[C@H]([C@H](O)C)NC(=O)c1ccc(cc1)C#Cc1ccc(cc1)CN1CCOCC1	0.02	0.0
Compound_191	Cc1ccc(c(c1)Cc1nn(c2c1c(N)ncn2)C(C)(C)C)C	0.58	1.0
Compound_192	Oc1cccc(c1)Cc1nn(c2c1c(N)ncn2)C(C)(C)C	0.44	0.0
Compound_193	COC1=CC(=NC1=Cc1[nH]c(cc1C)C)c1cc2c([nH]1)cccc2	0.12	0.0
Compound_194	BrCCNP(=O)(NCCBr)OCc1cnc(n1C)N(=O)=O	0.45	0.0
Compound_195	COC(=O)c1cncn1[C@@H](c1ccc(cc1)I)C	0.24	0.0
Compound_196	CCCn1c(=O)c2[nH]c(nc2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F	0.0	0.0
Compound_197	Clc1ccc(c(c1)Cl)Oc1ccc(cc1O)Cc1ccccn1	0.97	1.0
Compound_198	CC(=O)C1=C(O)N2[C@H](C1=O)[C@H]1c3c[nH]c4c3c(C[C@H]1C2(C)C)ccc4	0.28	0.0
Compound_199	CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O	0.02	0.0
Compound_200	NCc1c(c(C#N)cc2c1n(C)cn2)c1ccccc1Cl	0.13	0.0
Compound_201	COc1ccc2c(c1)S(=O)(=O)N=C(N2)c1c(O)c(nn(c1=O)CCC(C)C)c1ccccc1	0.04	0.0
Compound_202	O=C1CCCCc2cnn3c2nc(Nc2cc(N1)ccc2)nc3NC1CC1	0.05	0.0
Compound_203	N#Cc1cccc(c1)NC(=O)c1ccc(cc1)c1cc(ccc1C)c1nnc(o1)C	0.11	0.0
Compound_204	O=C(c1cn2c(s1)cc(=O)n(c2=O)Cc1ccccc1)OCc1ccccc1	0.04	0.0
Compound_205	C[C@@H](OC(=O)[C@@H](N)C)COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C	0.12	0.0
Compound_206	COC[C@H]1OC(=O)/C(=C/N(CC=C)CC=C)/C2=C(C(=O)C3=C([C@@]12C)[C@H](OC(=O)C)C[C@]1([C@H]3CCC1=O)C)O	0.02	0.0
Compound_207	COC(=O)[C@@]1(Cc2ccc(cc2)OCc2cc(C)nc3c2cccc3)C[C@@H]1C(=O)NO	0.08	0.0
Compound_208	N#CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cc(OC)c(c2)OS(=O)(=O)N	0.1	0.0
Compound_209	Clc1ccc(cc1c1cc(C)c2c(c1)nnc(n2)Nc1ccc(cc1)OCCN1CCCC1)OC(=O)c1ccccc1	0.24	0.0
Compound_210	O=C1CNC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)N)C(C)(C)SSC([C@@H](NC(=O)[C@@H](N1)Cc1ccccc1)C(=O)O)(C)C	0.02	0.0
Compound_211	OC(=O)CCON=C1c2ccccc2c2c1cccc2	0.12	0.0
Compound_212	CSCC[C@@H]([P@@H](=O)O)N	0.1	0.0
Compound_213	ONC(=O)[C@H](C(=O)N[C@H](C(=O)NCC(=O)Nc1ccc(cc1)N(=O)=O)C)Cc1ccccc1	0.1	0.0
Compound_214	CCC(CCCO[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=C/C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C)(CC)O	0.07	0.0
Compound_215	O[C@H]1C[C@H](O)C(=C)/C(=C/C=C2CCC[C@]3([C@H]2CC[C@@H]3[C@@H](OCCC(O)(C)C)C)C)/C1	0.06	0.0
Compound_216	Nc1ccc(cn1)/C=C/C(=O)N(Cc1cc2c(n1C)cccc2)C	0.05	0.0
Compound_217	Cc1cc(/C=C/c2ccccc2)cc(c1O)C	0.93	1.0
Compound_218	NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)[C@@H](NC(=O)C(N)(C)C)Cc1c[nH]cn1	0.01	0.0
Compound_219	CNCC(=O)OCc1cccnc1N(C(=O)O[C@@H]([n+]1cnn(c1)C[C@](c1cc(F)ccc1F)([C@H](c1scc(n1)c1ccc(cc1)C#N)C)O)C)C	0.01	0.0
Compound_220	CN(CCCCSC(=N)N)C	0.2	0.0
Compound_221	CCCCP(=O)(O)O	0.51	1.0
Compound_222	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1OS(=O)(=O)O)O)NC(=O)C	0.02	0.0
Compound_223	NCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C	0.02	0.0
Compound_224	CC(Cn1c(C)nc2c1c1ncccc1nc2N)C	0.22	0.0
Compound_225	CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F	0.05	0.0
Compound_226	C1NCc2c3N(C1)C[C@@H]1CCC[C@@H]1c3ccc2	0.0	0.0
Compound_227	OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2[C@H](Cl)CC2=CC(=O)C=C[C@]12C	0.21	0.0
Compound_228	CCCc1c(ncn2c1nc(n2)C)Cn1ccnc1c1ncccc1F	0.08	0.0
Compound_229	OC[C@H](C(C(F)(F)F)C(F)(F)F)NS(=O)(=O)c1ccc(s1)Cl	0.16	0.0
Compound_230	COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C	0.0	0.0
Compound_231	CC[C@@H](CC([C@@]1(O)CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)(F)F)C	0.15	0.0
Compound_232	OCCN(S(=O)(=O)C)c1cc2oc(c(c2cc1C1CC1)C(=O)NC)c1ccc(cc1)F	0.11	0.0
Compound_233	O[C@@H](COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C	0.01	0.0
Compound_234	OC[C@H]([C@H]1O[C@](C[C@H]([C@H]1O)O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=N)nc1O)O)C(=O)O)O	0.0	0.0
Compound_235	O=C[C@@H]1CCN2N1C(=O)[C@](CC2)(N)Cc1ccccc1	0.01	0.0
Compound_236	O=C(N[C@H](P(=O)(O)O)c1ccc(cc1)C(=N)N)OCc1ccccc1	0.3	0.0
Compound_237	OC(=O)/C=C/c1cccc(n1)/C(=C\CN1CCCC1)/c1ccc(cc1)C	0.02	0.0
Compound_238	O[C@@H](CN1CCN(CC1)c1ccccn1)COc1ccc(cc1)C1CCCCC1	0.01	0.0
Compound_239	Clc1cc(c(cc1c1cc(Cl)c(cc1Cl)S(=O)(=O)C)Cl)S(=O)(=O)C	0.96	1.0
Compound_240	CCN(c1ccc(c(c1)O)C=C(C(=O)O)C)CC	0.52	1.0
Compound_241	O[C@@H]1CS[C@H]([C@@H]([C@H]1O)O)Oc1ccc2c(c1)oc(=O)cc2C	0.76	1.0
Compound_242	OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F	0.0	0.0
Compound_243	O=C([C@H](Cc1c[nH]cn1)N)O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O	0.02	0.0
Compound_244	CCCCC[C@H]1O[C@H](C[C@@H]1SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	0.02	0.0
Compound_245	OC(=O)C[C@@H](C(=O)O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)N	0.01	0.0
Compound_246	C[C@H]([C@@H](c1nccs1)N)O	0.11	0.0
Compound_247	N[C@@H]1[C@@H](CO[P@](=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.01	0.0
Compound_248	CC[C@@H]([C@@H](/C(=N/S(=O)(=O)NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)/O)N)C	0.01	0.0
Compound_249	O[C@@H]1[C@H](O)[C@H](O[C@@H]1n1cnc2c1cnc(n2)N)COP(=O)(O)O	0.01	0.0
Compound_250	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)OS(=O)(=O)O)OS(=O)(=O)O	0.07	0.0
Compound_251	NCC(=O)N[C@H](C(=O)O)CCCCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_252	CSC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1nc[nH]c2=O	0.0	0.0
Compound_253	OC(=O)C1=CN=C(CS[C@H]1c1cn2c(n1)sc1c2CCC1)C(=O)O	0.01	0.0
Compound_254	OCN([C@@H](C(=O)O)CCCN1C(=O)N[C@]2(C1=O)O[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)O)O	0.03	0.0
Compound_255	OC(=O)CCC1c2ccc(cc2Oc2c1ccc(c2)O)O	0.59	1.0
Compound_256	OC(=O)C(=O)CC(=O)c1cccc(c1)N(Cc1ccccc1)Cc1ccccc1	0.06	0.0
Compound_257	Clc1ccc(c(c1)C(=O)Nc1cc(Br)c(c(c1)Br)O)Cl	0.99	1.0
Compound_258	CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1S[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)O	0.45	0.0
Compound_259	C=CCN(C(=O)c1cc(OCCCON=C(N)N)cc(c1)Cl)C1CCCC1	0.21	0.0
Compound_260	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)c3n([C@@H]2CO)ccn3)[C@@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_261	O=C(NCC(=O)C)OCc1ccccc1	0.15	0.0
Compound_262	O=C[C@@H]([C@@H](COP(=O)(O)O)O)O	0.02	0.0
Compound_263	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[P@@](=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCC=CCCCCCCCC	0.58	1.0
Compound_264	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)CO[P@@](=O)(OCCN)O	0.18	0.0
Compound_265	CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(OC[C@H](CO)O)O	0.67	1.0
Compound_266	CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O	0.51	1.0
Compound_267	Fc1ccccc1c1cc(NCc2ccncc2)n2c(n1)ccn2	0.31	0.0
Compound_268	Clc1ccc2c(c1)c(N[C@@H]1CN3CCC1CC3)c(c(=O)[nH]2)c1nc2c([nH]1)cccc2	0.0	0.0
Compound_269	N#CSc1cnn2c1nc(cc2NCc1ccncc1)c1cccc(c1Cl)Cl	0.43	0.0
Compound_270	CNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(Cl)cc2	0.34	0.0
Compound_271	N=C1NC(=O)C(=Cc2ccccn2)S1	0.05	0.0
Compound_272	N#CCC1C=CC(=Nc2nc(Nc3n[nH]c(c3)C3CC3)c3c(n2)cccc3)C=C1	0.02	0.0
Compound_273	F[C@@H]1C[C@H](CC(=C1)C(=O)Nc1ccc(c(c1)COc1cccnc1)Cl)N1CCOCC1	0.05	0.0
Compound_274	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1ccccc1)CO[P@](=O)(OP(=O)(O)O)O	0.01	0.0
Compound_275	Fc1ccccc1c1nc(NCc2cccnc2)c2n(c1)ccn2	0.48	0.0
Compound_276	CCc1cnn2c1nc(cc2NCc1cnc(nc1)N)c1c(F)cccc1F	0.74	1.0
Compound_277	CCOC(=O)c1c(C(=CN)C#N)c2c(n1C)c(Cl)c(cc2)Cl	0.57	1.0
Compound_278	NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)c1cccc(c1)F	0.01	0.0
Compound_279	NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2	0.01	0.0
Compound_280	Cc1cc(Br)c(c(c1)c1cc2c([nH]1)ccc(c2)C(=N)N)O	0.43	0.0
Compound_281	Oc1c(cccc1c1cc2c([nH]1)ccc(c2)C(=N)N)OC1CCCC1	0.04	0.0
Compound_282	N#Cc1cc(cc(c1)Cl)Oc1c(Br)ccc(c1F)Cc1n[nH]c2c1ccnn2	0.69	1.0
Compound_283	O=Cc1c(COP(=O)(O)O)cn(=O)c(c1O)C	0.02	0.0
Compound_284	O=C[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)NC(=O)C(=NOC)c1csc(n1)N	0.02	0.0
Compound_285	O[C@H](Nc1ccc(cc1)N1C(=O)CCC1=O)CCC(=O)O	0.01	0.0
Compound_286	S[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cc(C)c(=O)[nH]c1=O	0.01	0.0
Compound_287	O[C@@H]1Cc2c([C@H]([C@@H]1O)O)ccc1c2c2ccccc2cc1	0.59	1.0
Compound_288	CC(C[C@@H](C(=O)O)C[C@@H]([C@H](CC1CCCCC1)N)O)C	0.03	0.0
Compound_289	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(O)n1ccc(nc1=S)N	0.0	0.0
Compound_290	CC(c1sc(nc1C(=O)O)[C@H]1NCc2c(C1)cccc2)C	0.01	0.0
Compound_291	NC(=O)[C@H](Cc1cccc2c1cccc2)N	0.06	0.0
Compound_292	O=C(N[C@H]1[C@@H](S)N(C1=O)[C@@H](C(=O)O)C[S@](=O)C)CCC[C@@H](C(=O)O)N	0.0	0.0
Compound_293	Nc1nc(N)c2c(n1)NC[C@@H](N2)[C@H]([C@@H](O)C)O	0.01	0.0
Compound_294	O[C@H]1C=C[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.02	0.0
Compound_295	CO[C@H]([C@H](C[C@@H](CC[C@@H]([C@@H](C(=O)O)C)N)C)C)Cc1ccccc1	0.0	0.0
Compound_296	OCC1=C[C@@H]([C@@H]([C@H](C1)O)O)N	0.13	0.0
Compound_297	OCC1=C[C@H](N[C@@H]2[C@@H](C)O[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O	0.18	0.0
Compound_298	OC[C@@H]1[C@@H](O)[C@@H]([C@@H]2[C@H]1OC(=N2)N=C)O	0.03	0.0
Compound_299	OC[C@@H]1[C@@H](O)[C@@H]([C@@H]2[C@H]1OC(=N2)N(C)C)O	0.01	0.0
Compound_300	O=C[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)NC(=O)[C@@H](c1ccc(cc1)O)N	0.02	0.0
Compound_301	OCCOCn1c(=O)[nH]c(=O)c(c1O)Cc1cccc(c1)OCc1ccccc1	0.01	0.0
Compound_302	C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O	0.11	0.0
Compound_303	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cccc[nH]c1=O	0.01	0.0
Compound_304	O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(O3)(F)F)/S1	0.1	0.0
Compound_305	N[C@H]([C@H](C[C@H](C(=O)O)C(C)C)O)CC1CCCCC1	0.02	0.0
Compound_306	O=CC1(CCC1)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)NC1CCCC1)NC(=O)C1CC1	0.03	0.0
Compound_307	OC[C@H]1O[C@H](OCC[C@H]2CO2)[C@@H]([C@H]([C@@H]1O)O)O	0.2	0.0
Compound_308	C[C@@H]([C@@H](n1cnc(c1)C(=O)N)CCc1cccc2c1oc(n2)c1ccc(cc1)Cl)O	0.1	0.0
Compound_309	CCN(C(=O)[C@@H]1O[C@H](C[C@@H]([C@H]1NC(=O)C)N)C(=O)O)CC	0.0	0.0
Compound_310	OC[C@H]([C@H]([C@@H]1O[C@H](C[C@@H]([C@H]1NC(=O)C)NC(=N)N)C(=O)O)O)O	0.01	0.0
Compound_311	OC(=O)CN(C(=O)O)O	0.02	0.0
Compound_312	CCCC(=O)OC[C@@H](OC(=O)CCC)COP(O)(O)(O)O	0.86	1.0
Compound_313	OCC(=O)CO[P@](=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O	0.03	0.0
Compound_314	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](c2n1cc(n2)c1ccccc1)O	0.02	0.0
Compound_315	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1SC)O)O	0.56	1.0
Compound_316	CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)NC=CN1C(=O)CCC1=O)CC	0.02	0.0
Compound_317	CO[C@@H]([C@@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)O)C)N)\C)C)Cc1ccccc1	0.36	0.0
Compound_318	OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N[C@@H](O)C	0.02	0.0
Compound_319	OC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12	0.58	1.0
Compound_320	OC[C@@]12O[C@@H]1C[C@@H]([C@H]([C@@H]2O)O)O	0.42	0.0
Compound_321	CO/C=C(\c1ccccc1/C=C/c1ccccc1)/C(=O)OC	0.93	1.0
Compound_322	OC(CN(CP(=O)(O)O)C[C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O	0.09	0.0
Compound_323	CNC(=O)[C@H]1[C@@H]([C@H]1c1ccc(cc1)OP(=O)(O)O)C(=O)O	0.07	0.0
Compound_324	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1N[C@@H](c2c1ncnc2N)I	0.02	0.0
Compound_325	COCCN1CCCC[C@@H](C1=O)NC(=O)[C@@H]([C@@H](C(=O)NO)CCCO)CC(C)C	0.1	0.0
Compound_326	OCN(CCCc1ccccc1)O	0.83	1.0
Compound_327	COC[C@H]([C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)O	0.1	0.0
Compound_328	CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CS	0.04	0.0
Compound_329	CN(NC(=O)OC(C)(C)C)C#N	0.81	1.0
Compound_330	CC(C[C@@H](CN1CCCN2[C@H]1CCC2)N)C	0.01	0.0
Compound_331	OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)F)n1ccc(=O)[nH]c1=O	0.01	0.0
Compound_332	CO[C@@H]1O[C@H](C=S)[C@@H]([C@@H]([C@H]1O)O)O	0.05	0.0
Compound_333	N[C@H]1C[C@H]([C@@H](N1)C(=O)O)C	0.01	0.0
Compound_334	Nc1[nH]c(=O)c2c(n1)c(CCc1ccccc1)c1c(c2)[nH]cn1	0.04	0.0
Compound_335	OC[C@H]([C@H]([C@@H]1O[C@](O)(C(=O)O)[C@@H]([C@@H]([C@H]1O)O)F)O)O	0.26	0.0
Compound_336	OC[C@H]([C@@H]([C@H](C=O)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O	0.07	0.0
Compound_337	COc1cccc(c1)c1ccc2c(c1)C[C@@H]([C@H]2[C@H](C(=O)O)CCCCC(=N)N)O	0.01	0.0
Compound_338	C#CCN(CC1=Cc2ccccc2Oc2c1cccc2)C	0.02	0.0
Compound_339	OC[C@H](CCONc1c2ccccc2[nH]c1C1=c2ccccc2=NC1=O)O	0.01	0.0
Compound_340	Clc1cccc(c1)Nc1ccn2c(n1)c(cn2)c1cccc(c1)N	0.93	1.0
Compound_341	CC[C@@H](Nc1ccc2n(n1)c(cn2)c1ccc(cc1)C(=O)O)CO	0.01	0.0
Compound_342	CCC(=O)N(c1ccccc1)C1CCN(CC1)C[C@H](c1ccccc1)C	0.05	0.0
Compound_343	COc1cc(OC)ccc1/C=C\1/CCCN=C1c1cccnc1	0.04	0.0
Compound_344	CC(=CC=CC(=CC(=O)O)C)/C=C/c1c(C)cc(c(c1C)C)O	0.89	1.0
Compound_345	c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2	0.0	0.0
Compound_346	NC(=O)c1ccc(c(c1)N(=O)=O)I	0.56	1.0
Compound_347	Cc1nnc(o1)c1ccc(c(c1)C)c1cc(ccc1C)C(=O)NC1CC1	0.01	0.0
Compound_348	Oc1ccc(c(c1)O)C(=O)N1CCC[C@@H]1c1ccccc1C	0.04	0.0
Compound_349	COc1ccc(cc1)Oc1ncnc(c1)N(CCOc1ccc(cc1)C[C@H]1SC(=O)NC1=O)C	0.01	0.0
Compound_350	COc1ccc(cc1)Oc1ncnc(c1)N(CCOc1ccc(cc1)C[C@@H]1SC(=O)NC1=O)C	0.01	0.0
Compound_351	O=C1NC(=O)[C@H](S1)Cc1ccc(cc1)OCc1nc2c(n1C)cc(cc2)Oc1cc(C)c(c(c1)C)N	0.02	0.0
Compound_352	CCC(C(=O)C(=O)N1CCC[C@H]1C(=O)O)(C)C	0.02	0.0
Compound_353	CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=CC=C1C[C@@H](O)C[C@@H](C1=C)O)C	0.09	0.0
Compound_354	Fc1ccc(cc1)CN1C[C@@H](C)N(C[C@@H]1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C	0.05	0.0
Compound_355	Cc1ccc(cc1)Sc1ccccc1C1CCNCC1	0.05	0.0
Compound_356	COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)OCCS(=O)(=O)C)C	0.64	1.0
Compound_357	CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C	0.06	0.0
Compound_358	CC(Oc1cc(OCCN2CCN(CC2)C(=O)C)cc2c1c(ncn2)Nc1c(Cl)cnc2c1OCO2)C	0.05	0.0
Compound_359	O=C([C@H](c1ccccc1)N1CCN(CC1)CC1CC1)N(CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	0.02	0.0
Compound_360	O=n1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2	0.01	0.0
Compound_361	CCCN1CCC(CC1)c1nc2c([nH]1)cccc2C(=O)N	0.03	0.0
Compound_362	Clc1ccc(cc1)CCCOCCCN1CCCCC1	0.0	0.0
Compound_363	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCOCCO)/c1ccccc1	0.78	1.0
Compound_364	OCC(NC(=O)c1ccc2c(c1)c(cn2C)c1cc2c([nH]1)nccc2)(C)C	0.01	0.0
Compound_365	O=C(c1n[nH]c2c1cccc2)N[C@@H]1CN2CCC1CC2	0.0	0.0
Compound_366	CN1CCN(CC1)C(=O)O	0.05	0.0
Compound_367	O[C@@H]1[C@@H](CO[P@](=O)(OP(=N)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O	0.0	0.0
Compound_368	O=C1CCC2=C3[C@H](C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(O)C(=O)C)C)c1ccc(cc1)N(C)C	0.04	0.0
Compound_369	Nc1scc(n1)c1ccnc(n1)N	0.9	1.0
Compound_370	NCCCn1c2ccc(cc2c2c1cc(C)c1c2c(=O)[nH]c1=O)C	0.02	0.0
Compound_371	Fc1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)N)N	0.02	0.0
Compound_372	OC(=O)[C@H](CCCC/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)N	0.01	0.0
Compound_373	OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2CC=C1[C@H](O)COC1=O)C	0.48	0.0
Compound_374	CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1scc(n1)c1cccnc1)C	0.01	0.0
Compound_375	Oc1cc(O)c(cc1c1[nH]ncc1N1CCN(CC1)Cc1ccc(cc1)S(=O)(=O)C)Cl	0.02	0.0
Compound_376	OCCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	0.61	1.0
Compound_377	CNc1ccc(cc1F)c1nc2c(s1)cc(cc2)O	0.93	1.0
Compound_378	O=C(Cc1c(Cl)ccc(c1F)NCC(c1ccccc1)(F)F)NCCON=C(N)N	0.11	0.0
Compound_379	OC[C@H](CONC(=O)c1ccc(c(c1Nc1ccc(cc1Cl)I)F)F)O	0.07	0.0
Compound_380	ON1C(C)(C)CC(CC1(C)C)OC(=O)C1CC1	0.23	0.0
Compound_381	NCCNc1nnc(o1)c1ccc(c(c1Nc1ccc(cc1F)I)F)F	0.06	0.0
Compound_382	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)C(=O)N)OCO2	0.14	0.0
Compound_383	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)NS(=O)(=O)C)OCO2	0.07	0.0
Compound_384	Cc1ccc(cc1c1ccc2c(c1)cnnc2c1ccccc1C)C(=O)NC1CC1	0.01	0.0
Compound_385	CCn1c(nc2c1c(OC[C@H]1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N	0.0	0.0
Compound_386	OCCCc1cc(Cl)cc(c1)c1noc2c1cc(nc2)N[C@H](c1ccccc1)C	0.02	0.0
Compound_387	CC[C@@H](Nc1nc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C)CO	0.02	0.0
Compound_388	O=C(Nc1cc(oc1C(F)(F)F)C)Nc1ncc(s1)CCNc1ncnc(c1)Nc1ncn[nH]1	0.07	0.0
Compound_389	COc1ccc2c(c1)nccc2OCc1nnc2n1nc(cc2)c1ccccc1	0.06	0.0
Compound_390	CC[C@@H](c1cc(ccc1O)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1ccc(cc1)C(=O)c1cc(OC)ccc1O)C	0.02	0.0
Compound_391	OC(=O)Cn1cc(c2c1nccc2)Cc1sc2c(n1)c(F)c(cc2F)F	0.06	0.0
Compound_392	OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl	0.01	0.0
Compound_393	CCCCCCC(c1cc(OC(=O)/C=C/C(=O)O)c(c(c1)O)[C@H]1CC(=O)[C@H]2C[C@@H]1C2(C)C)(C)C	0.17	0.0
Compound_394	C[C@H]1NC(=NC(=N1)N)N(C)C	0.03	0.0
Compound_395	CC(CCNc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O)C	0.02	0.0
Compound_396	O[C@@H](c1ccncc1)c1ccc(cc1)OCCN1CCCC1	0.14	0.0
Compound_397	OC[C@H](C(CC)CC)NS(=O)(=O)c1ccc(s1)Cl	0.14	0.0
Compound_398	CCCN=C1SC(=Cc2ccc(c(c2)Cl)OC[C@@H](CO)O)C(=O)N1c1ccccc1C	0.05	0.0
Compound_399	Brc1cc(Oc2ccccc2)cc(c1O)Br	1.0	1.0
Compound_400	CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl	0.0	0.0
Compound_401	OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1)S(=O)(=O)C	0.02	0.0
Compound_402	CCCC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)/O[C@@H]([C@H]([C@@H]1O)O)CO	0.01	0.0
Compound_403	Oc1cc(cc(c1O)N(=O)=O)c1onc(n1)c1c(C)c(Cl)c(n(=O)c1Cl)C	0.07	0.0
Compound_404	O=C(Nc1ncc(s1)CCNc1ncnc2c1n(C)nc2)Nc1cccc(c1)C(F)(F)F	0.24	0.0
Compound_405	N#Cc1ccc(c(c1)F)OCCN1C[C@@H]2CN(C[C@H](C1)O2)CCNC(=O)OC(C)(C)C	0.02	0.0
Compound_406	CC(OCCn1c(=S)nc(c2c1cc[nH]2)O)C	0.03	0.0
Compound_407	Fc1ccc(cc1)c1nc([nH]c1c1ccc2c(n1)n(CC(C)(C)C)c(n2)N)C(C)(C)C	0.01	0.0
Compound_408	O=C(CC(C)(C)C)O/N=C/c1ccc(cc1)O	0.35	0.0
Compound_409	COc1cc(ccc1c1ccccc1)[C@@H](C#Cc1c(C)nc(nc1N)N)C	0.52	1.0
Compound_410	N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(cc1F)F)nc1c2ccc(c1)S(=O)(=O)C	0.04	0.0
Compound_411	O=C(N[C@H](C(=O)N[C@H](C(=O)O)C)CCC(=O)O)CCCC[C@H]1SSCC1	0.01	0.0
Compound_412	Nc1cccc(c1)Sc1ccc(c(c1C(F)(F)F)C(F)(F)F)/C=C/C(=O)N1CCOCC1	0.05	0.0
Compound_413	COc1ccc2c(c1)CC[C@@H]([C@@H]2c1ccccc1)CN(CC(=O)O)C	0.01	0.0
Compound_414	OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C	0.03	0.0
Compound_415	CC(n1c(=O)c(C(=O)NCCCN2CCCCC2)c(c2c1scc2)O)C	0.0	0.0
Compound_416	OC(=O)c1ccc(cc1)c1c[nH]c2c1cc(cn2)c1ccccc1	0.2	0.0
Compound_417	CCN(C(=O)Cc1cccc(n1)NS(=O)(=O)c1cccc(c1C)Cl)CC	0.05	0.0
Compound_418	COc1ccc(c(c1)C)c1c(C)nn2c1nc(C)cc2N[C@H](c1onc(n1)C)CC	0.07	0.0
Compound_419	COC[C@@H](Cn1c(=O)cnn(c1=O)c1ccc(c(c1)C(=O)NCC1(O)CCCCCC1)Cl)O	0.0	0.0
Compound_420	O=C(Nc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)Oc1ccncc1	0.66	1.0
Compound_421	Oc1cccc(c1)[C@H]1NC(=S)N(C(=C1C(=O)c1ccccc1)C)C	0.09	0.0
Compound_422	O=C1OCC[C@H]1N	0.02	0.0
Compound_423	C[C@H]1CNCCN1S(=O)(=O)c1cccc2c1ccnc2	0.02	0.0
Compound_424	CCCCCCCCSCC(=O)C(F)(F)F	0.96	1.0
Compound_425	BrCC(=O)N1CC(C1)(N(=O)=O)N(=O)=O	0.24	0.0
Compound_426	N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(cc1F)F)nc1c2ccnc1	0.07	0.0
Compound_427	O[C@@H]1[C@@H](/C=C/CNC(=O)c2cc(cc(c2O)O)N(=O)=O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.01	0.0
Compound_428	N#Cc1nn(c2cc(Cl)c(c(c2)Cl)Oc2nnc(c(c2)C(C)C)O)c(=O)nc1O	0.1	0.0
Compound_429	CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F	0.61	1.0
Compound_430	C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F	0.03	0.0
Compound_431	O=C(Nc1ccccc1N)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)c1cnn(c1)C	0.43	0.0
Compound_432	Clc1cc2c(s1)[nH]c(c2)C(=O)N[C@@H]1Cc2c([C@H]1O)cccc2	0.2	0.0
Compound_433	O=C1Nc2ccccc2C[C@H]1NC(=O)c1cc2c([nH]1)sc(c2)Cl	0.44	0.0
Compound_434	NC(=O)[C@@H](/N=C/c1ccc(cc1)OCc1cccc(c1)F)C	0.14	0.0
Compound_435	FC(c1ccc(cc1)C[C@H]1SC(=S)NC1=O)(F)F	0.12	0.0
Compound_436	Clc1cccc(c1)c1onc(c1)[C@H](Oc1nnc(n1C)c1ccncc1)C	0.28	0.0
Compound_437	N#Cc1cc(cc(c1)Cl)Oc1cc(ccc1Cl)OCc1n[nH]c2c1cccn2	0.16	0.0
Compound_438	N#Cc1cc(cc(c1)Cl)Oc1cc(ccc1Cl)OCc1n[nH]c2c1ccc(n2)N	0.24	0.0
Compound_439	NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(cc1)OCc1ccccc1F	0.02	0.0
Compound_440	CCOC(=O)[C@@H](NP(=O)(N[C@H](C(=O)OCC)C)COCCn1cnc2c1nc(N)nc2NC1CC1)C	0.07	0.0
Compound_441	OCC[C@@H]1CCCCN1c1cc(NCc2cccn(=O)c2)n2c(n1)c(CC)cn2	0.01	0.0
Compound_442	NC1N=c2c(=N1)cccc2	0.09	0.0
Compound_443	O[C@H]1O[C@@H](C(=O)O)[C@@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O	0.02	0.0
Compound_444	O=C(N[C@H](C(=O)NC[P@](=O)(O[C@H](C(=O)O)Cc1ccccc1)O)C)OCc1ccccc1	0.14	0.0
Compound_445	N[C@@H](Cc1ccc(cc1)O)CC[C@H](O)N	0.15	0.0
Compound_446	OC[C@H](CCCCNC(=O)O)N	0.16	0.0
Compound_447	COc1cccc(c1C(=O)N[C@@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N)OC	0.04	0.0
Compound_448	CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC	0.01	0.0
Compound_449	CCc1ccc(o1)C=C1SC(=NC1=O)N[C@@H](c1ccc(cc1)F)C(=O)O	0.03	0.0
Compound_450	O=C([C@H]1CCCN1c1cc(C)nc(n1)n1cncc1)NCCc1ccc2c(c1)OCO2	0.01	0.0
Compound_451	S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2	0.01	0.0
Compound_452	Fc1ccc(cc1F)CN1CCC(CC1)Nc1ccc(nn1)C(F)(F)F	0.0	0.0
Compound_453	O=C1CCc2c(N1)nc(cc2)OCCCCN1CCN(CC1)c1cccc2c1cccc2	0.0	0.0
Compound_454	O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1	0.0	0.0
Compound_455	Oc1cccc(c1)OC1CN(C1)C(CCC(c1ccccc1)(c1ccccc1)C(=O)N)(C)C	0.01	0.0
Compound_456	COc1cc(ccc1n1cnc(c1)C)C=C1CCCN(C1=O)[C@H](c1ccc(cc1)F)C	0.09	0.0
Compound_457	OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO	0.0	0.0
Compound_458	CN(CCCOc1ccc2c(c1)c(n[nH]2)S(=O)(=O)c1cccc2c1cccc2)C	0.02	0.0
Compound_459	O=C(Nc1c(O)ccc(c1O)C(=O)O)CC[C@]1(C)C(=O)CC[C@]23[C@H]1[C@@H]1C[C@H](C2)[C@@](O1)(C3)C	0.04	0.0
Compound_460	CN([C@H]1CCN(C1)C(=O)c1ccc(cc1)Nc1ncc(c(n1)c1cnc(n1C(C)C)C)F)C	0.01	0.0
Compound_461	CSCC[C@@H](C(=O)O)NC(=O)O	0.07	0.0
Compound_462	ONC(=O)CCCC/C=C(/C(=O)NCCCN(C)C)\COc1cccc2c1cccc2	0.03	0.0
Compound_463	OC(=O)/C(=N\Cc1c(cnc(c1O)C)COP(=O)(O)O)/C=CCP(=O)(O)O	0.05	0.0
Compound_464	O=C1c2cccc(c2C(=O)c2c1c(ccc2O)N(=O)=O)O	0.55	1.0
Compound_465	O=C(C(C)C)O[C@@H]1[C@@H](COC(=O)C(C)C)O[C@H]([C@]1(C)F)n1ccc(nc1=O)N	0.01	0.0
Compound_466	CCn1c(=O)c(cc2c1nc(N)nc2C)c1ccn[nH]1	0.05	0.0
Compound_467	CCS(=O)(=O)c1cccc(c1)c1cc(C(=O)NC2CCN(CC2)C)c(c2c1c1cc(C)cnc1[nH]2)C	0.0	0.0
Compound_468	O=C(c1ccc(cc1)C(F)(F)F)NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2[C@H]1C2	0.03	0.0
Compound_469	C=CC(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1	0.0	0.0
Compound_470	N#N=N[C@]1(COC(=O)C(C)C)O[C@H]([C@@H]([C@@H]1OC(=O)C(C)C)OC(=O)C(C)C)n1ccc(nc1=O)N	0.01	0.0
Compound_471	CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N1CCC[C@H](C1)[C@H](c1cccc(c1)Cl)OCCNC(=O)OC	0.01	0.0
Compound_472	COc1ccc(cc1)S(=O)(=O)[C@@H](C(F)F)CC(=O)O	0.61	1.0
Compound_473	OC(=O)C1=C[C@@H]2[C@]3([C@@H]1CC[C@@H]3C)CC(C2)(C)C	0.24	0.0
Compound_474	O=C(c1ccc(nc1)c1cc(cc(c1C)F)C(=O)NC1CC1)NCC(C)(C)C	0.06	0.0
Compound_475	FC(c1cccc(c1)C1=CCN(CC1)CCc1ccc(cc1)c1ccccc1)(F)F	0.02	0.0
Compound_476	ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C	0.01	0.0
Compound_477	O=C(CN(c1c(C)cccc1C)C(=O)C1CCS(=O)(=O)CC1)Nc1ccc(cc1)c1nocn1	0.03	0.0
Compound_478	Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2	0.28	0.0
Compound_479	CCCCC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)/O[C@@H]([C@H]([C@@H]1O)O)CO	0.02	0.0
Compound_480	Fc1ccc(cc1)[C@@H]1CCCN1C(=O)C1=C(C)Nc2n([C@@H]1c1ccc(c(c1)Cl)Cl)ncc2	0.01	0.0
Compound_481	Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1	0.81	1.0
Compound_482	OCCc1cn(c2c1c1c(=O)[nH]c(=O)c1c(c2)c1ccccc1Cl)C	0.45	0.0
Compound_483	n1ccc(cc1)c1c[nH]nc1c1ccc(cc1)OCc1ccc2c(n1)cccc2	0.8	1.0
Compound_484	O=N(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1	0.01	0.0
Compound_485	CCCc1c(OCc2ccc(cc2)[C@@H](c2cccc(c2)C(=O)O)O)ccc(c1O)C(=O)C	0.66	1.0
Compound_486	COc1cc(ccc1OC)N1CC[C@@H]([C@@H](C1)c1cccc(c1)C)N	0.03	0.0
Compound_487	Fc1cc2CCOc2c(c1)C(C[C@](C(F)(F)F)(CNc1cccc2c1ccc(n2)C)O)(C)C	0.18	0.0
Compound_488	COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NC1CC1	0.0	0.0
Compound_489	CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1	0.01	0.0
Compound_490	FC[C@@]1(O)OC(=O)C[C@@H]1NC(=O)[C@]1(ON=C(C1)c1nccc2c1cccc2)C(C)C	0.01	0.0
Compound_491	COc1ccc(cc1)N(c1nc(C)nc2c1cccc2)C	0.79	1.0
Compound_492	CCCC(C(=O)Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1(F)F)O)CO)CCC	0.01	0.0
Compound_493	CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)c1ccc(cc1)S(=O)(=O)C	0.01	0.0
Compound_494	C[C@@H](C(=O)c1ccc2c(c1)OCO2)N	0.73	1.0
Compound_495	Clc1ccc(cc1)CCC1(OCCO1)Cn1cncc1	0.24	0.0
Compound_496	NCCC[C@]1(CC(=NN1C(=O)NCC)c1cc(F)ccc1F)c1ccccc1	0.05	0.0
Compound_497	COc1cc2nc(oc2c(c1)c1cccc(c1)N)NS(=O)(=O)c1cc(Cl)ccc1Cl	0.55	1.0
Compound_498	Clc1ccc(c(c1)S(=O)(=O)Nc1oc2c(n1)cc(cc2)Cl)Cl	0.34	0.0
Compound_499	Fc1ccc(c(c1)F)c1nc(ccc1C(=O)N)N(c1c(F)cccc1F)C(=O)N	0.05	0.0
Compound_500	CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](c1ccccc1)NC(=O)c1ccc2c(c1)[nH]cc2	0.01	0.0
Compound_501	COC(=O)c1c(C)cc(cc1O)Oc1cc(C)cc(c1O)O	0.9	1.0
Compound_502	CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C1CCCC1)N)CN	0.08	0.0
Compound_503	NC[C@@H]1CC[C@@H](N1C(=O)[C@H](C1CCCC1)N)C#C	0.05	0.0
Compound_504	O=CCCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2	0.12	0.0
Compound_505	N#CC1(CC1)NC(=O)[C@H](CS(=O)(=O)C[C@@H]1CCC(=O)N1)N[C@H](C(F)(F)F)c1ccc(cc1)F	0.02	0.0
Compound_506	OC(=O)CCCN/C=C\1/N=C(OC1=O)c1ccccc1	0.0	0.0
Compound_507	COc1cc(N)c(c(c1OC)CCOC(=O)c1cc(Cl)c(cc1O)O)OC	0.26	0.0
Compound_508	O=C[C@@]1(NC(=O)[C@H]2[C@]1(C)OCC2)[C@H]([C@H]1CCCC=C1)O	0.05	0.0
Compound_509	CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc1cc(ccc1C)C(=O)NC1CC1	0.01	0.0
Compound_510	CCCCC[C@@H](c1ccc(cc1)N1[C@@H](COCc2ccc(s2)C(=O)OC(C)C)CCC1=O)O	0.15	0.0
Compound_511	O=C(N1CSCC1)[C@H]1NC[C@H](C1)N1CCN(CC1)c1cc(nn1c1ccccc1)C	0.03	0.0
Compound_512	CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C	0.01	0.0
Compound_513	O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)N1CN(c2c1nc(N)[nH]c2=O)C	0.01	0.0
Compound_514	ON=C1NC[C@H]([C@@H]([C@H]1O)O)O	0.01	0.0
Compound_515	CC(=C/C=C/C(=C/C(=O)O)/C)C=CC1=C(C)CCCC1(C)C	0.13	0.0
Compound_516	OC[C@@]12CC[C@@H]([C@H]([C@H]2C)[C@H](OC1)c1ccc(cc1)O)C	0.41	0.0
Compound_517	S[C@H]([C@H](C(=O)N)C#N)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.19	0.0
Compound_518	CCNC(=O)c1sc2c(c1)c(nc(n2)N)c1ccc(cc1Cl)Cl	0.53	1.0
Compound_519	CCNC(=O)c1sc2c(c1)c(nc(n2)N)c1cc(OCCN2CCCC2)c(cc1Cl)Cl	0.18	0.0
Compound_520	Cc1cc(CNS(=O)(=O)c2cccc(c2)NC=C2CCOC2=O)nc(n1)N	0.02	0.0
Compound_521	Nc1nc(N)nc(n1)c1cc2ccccc2cc1Br	0.56	1.0
Compound_522	CCCN(CCc1c[nH]c2c1c(O)ccc2)CCC	0.05	0.0
Compound_523	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cccc(c4cc3Cn1c2=O)N	0.02	0.0
Compound_524	Clc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)C(=O)Nc1ccncc1	0.62	1.0
Compound_525	O=C[C@H]([C@H]1[C@@H](CCN1C(=O)/C=C/CN1CCCCC1)NS(=O)(=O)C)C(C)C	0.11	0.0
Compound_526	O=C(N(C1CCN(CC1)CC1(CC1)C(=O)N)C1CC1)c1ccc(cc1)[C@@](C(F)(F)F)(O)C	0.01	0.0
Compound_527	O[C@@H]1[C@@H](CO[P@](=O)(O[P@@](=O)(NP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O	0.0	0.0
Compound_528	CC1=C(C(=O)OCCN(c2ccccc2)Cc2ccccc2)[C@H](C(=C(N1)C)P1(=O)OCC(CO1)(C)C)c1cccc(c1)N(=O)=O	0.54	1.0
Compound_529	COCCN([C@@H](C(=O)Oc1c(OC)cc(cc1OC)C)CC)CCOC	0.18	0.0
Compound_530	CC(OC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)N(=O)=O)C(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1)N)C	0.07	0.0
Compound_531	N#CC1=C(N)Oc2c([C@H]1c1cc(Br)c(c(c1)OC)OC)ccc(c2N)N	0.28	0.0
Compound_532	O=C1O[C@@H](C[C@@H]2O[C@]2(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C\c1csc(n1)C)/C	0.2	0.0
Compound_533	O=C1N=NC(=O)c2c1cc(cc2)n1nc([nH]n1c1nc2c(s1)cccc2)/C=C/c1ccccc1	0.17	0.0
Compound_534	OC(=O)c1ccccc1/N=N/c1ccc(c(c1)C(C)(C)C)O	0.64	1.0
Compound_535	O=C(c1cccc(c1C)O)Nc1cccc2c1cc(cc2)C(=N)N	0.27	0.0
Compound_536	COC(=O)c1cc(NC(=O)c2cccc(c2C)O)c2c(c1)ccc(c2)C(=N)N	0.25	0.0
Compound_537	SCCNC(=O)c1cc2c(s1)n(nc2C(F)(F)F)C	0.11	0.0
Compound_538	OC[C@]12CO[C@@H]([C@@H]([C@@H]2C)C(=C[C@@H]1C)C)c1ccc(cc1)O	0.78	1.0
Compound_539	CC(CCC(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCNC(N)N)C(C)C)C	0.08	0.0
Compound_540	CS[C@@H]1[C@@H](NCc2ccccc2)[C@H]([C@H]([C@H]1O)O)O	0.02	0.0
Compound_541	CCc1nc(N)nc(c1c1ccc2c(c1)N(CCNC(=O)C)C(=O)C(S2)(C)C)N	0.02	0.0
Compound_542	CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F	0.01	0.0
Compound_543	CC#CCOc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cc(C)cc2	0.12	0.0
Compound_544	CCc1nc2c(n1c1ccc(cc1)CCN/C(=N/S(=O)(=O)c1ccc(cc1)C)/O)cc(nc2C)C	0.03	0.0
Compound_545	COc1cc2nc(oc2c(c1)c1ccc(nc1)OC)NS(=O)(=O)c1cc(Cl)ccc1Cl	0.64	1.0
Compound_546	COc1ccc(cc1c1c(Br)cnn1C)NC(=O)Nc1ccc(cc1F)F	0.02	0.0
Compound_547	COC(=O)N1CCN(CC1)Cc1cccc(c1F)NC(=O)Nc1ccc(nc1)C	0.01	0.0
Compound_548	COc1ccc(cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(c1)N)Br	0.09	0.0
Compound_549	OCCNC(=O)c1c(Br)c2c(n1C)cc(c1c2c(=O)[nH]c1=O)c1ccccc1Cl	0.1	0.0
Compound_550	COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C	0.02	0.0
Compound_551	Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F	0.0	0.0
Compound_552	OC(=O)C[C@@H]1Nc2ccccc2CN(C1=O)C	0.0	0.0
Compound_553	CCC[C@H](C[C@@H](CC(=O)O)N)C	0.02	0.0
Compound_554	O[C@H]1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C	0.08	0.0
Compound_555	COc1cc(/N=N/c2ccccc2C(=O)O)cc(c1O)OC	0.17	0.0
Compound_556	n1nnc([nH]1)c1[nH]nc2c1CCC2	0.15	0.0
Compound_557	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1CNc2c1nc[nH]c2=O	0.01	0.0
Compound_558	CC[C@@H]([C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C)C=O	0.03	0.0
Compound_559	CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC	0.15	0.0
Compound_560	COc1ccc(cc1C[C@]([C@@H]1CNCCO1)(C1CCOCC1)O)F	0.04	0.0
Compound_561	FC[C@H]1CC(=O)N(C1)[C@H]1CN2CCc3c([C@@H]2C[C@@H]1N)cc(c(c3)OC)OC	0.0	0.0
Compound_562	CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc1ccccc1)N[C@H](OC(C)(C)C)O)O)O	0.01	0.0
Compound_563	CSC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1NC=N[C@@H]2N	0.0	0.0
Compound_564	CSC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1N=CN[C@H]2N	0.0	0.0
Compound_565	S=C(Nc1ccc(cc1)S(=O)(=O)N)OCCc1cscc1	0.19	0.0
Compound_566	CCCCCCCCCCCCCC[C@@H](OC[C@H](CO[P@](=O)(OC[C@@H](C(=O)O)N)O)O)O	0.06	0.0
Compound_567	Oc1c(cccc1c1[nH]c2c(c1)cc(c(c2)Cl)C(=N)N)OC1CCCC1	0.1	0.0
Compound_568	Oc1ccc(cc1c1nc2c([nH]1)ccc(c2)C(=N)N)OC(F)(F)F	0.02	0.0
Compound_569	N#N=N[C@@]1(O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)[C@H](O)N	0.02	0.0
Compound_570	CCCCCCCCN=C1OC[C@H]2N1[C@@H](O)[C@H](O)[C@H]([C@H]2O)O	0.03	0.0
Compound_571	CSCC[C@@H](/C(=N/S(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1C=NC2=C(NC=N[C@H]12)N)/O)N	0.04	0.0
Compound_572	COc1cc(cc(c1OC)OC)N(C[C@H]1CCC2=C(C1)C(=N[C@@H](N2)N)N)C	0.0	0.0
Compound_573	CC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@H](O)C)Cc1cc(I)c(c(c1)I)O	0.06	0.0
Compound_574	OC[C@H]1O[C@@H](c2nc3c([nH]2)ccc(c3)C)[C@@H]([C@H]([C@@H]1O)O)O	0.03	0.0
Compound_575	OC[C@H]1O[C@@H](c2nc3c(s2)ccc(c3)C)[C@@H]([C@H]([C@@H]1O)O)O	0.38	0.0
Compound_576	CCC(COC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)Oc1cccc(c1c1[nH]nnn1)Cl)CC	0.03	0.0
Compound_577	COCCCC(=O)NCc1ccc(cc1)C(F)(F)F	0.23	0.0
Compound_578	CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)N[C@H](C2)C1CCCC1	0.01	0.0
Compound_579	Oc1cccc2c1CC[C@H]2/N=C/C=C	0.46	0.0
Compound_580	CCn1ncc2c1ncc(c2NC1CCOCC1)c1nnc(o1)Cc1sc(nc1C)C	0.02	0.0
Compound_581	Cc1cccc(n1)c1nc(Nc2ccncc2)c2c(n1)cccc2	0.43	0.0
Compound_582	FC([C@H]1N(Cc2ccc(cc2)F)C(=O)[C@H]2[C@@H]1[C@@H]1CCCN1[C@H]2c1ccc(cc1)C(N)N)F	0.01	0.0
Compound_583	O=C(C1=C(CC=C1)C(=O)O)Nc1c(F)c(F)c(c(c1F)F)c1cccc(c1)OC(F)(F)F	0.36	0.0
Compound_584	CCCOC(=O)Cc1ccc(c(c1)OCC)OCC(=O)N(CC)CC	0.49	0.0
Compound_585	OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F	0.0	0.0
Compound_586	OC(=O)c1ccc(cc1)/C=C/c1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C	0.14	0.0
Compound_587	CN(C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2c1cccc2)C	0.03	0.0
Compound_588	CC(C[C@@H](C(=O)N[C@@H]1CO[C@@H](C1)O)NC(=S)Nc1ccccc1)C	0.04	0.0
Compound_589	CCc1nc2c(n1CCCCNS(=O)(=O)C)c1ccccc1nc2N	0.01	0.0
Compound_590	Oc1ccc(cc1)C(=O)NNCc1ccc(cc1)C(C)C	0.13	0.0
Compound_591	C[P@@H](=O)O[C@@H](C(C)(C)C)C	0.96	1.0
Compound_592	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1ccccc1	0.14	0.0
Compound_593	Oc1ccc2c(c1)sc([n+]2C)c1ccc(cc1)N(C)C	0.9	1.0
Compound_594	N[C@@H](CC1=C2C=CC=C[C@@H]2N=C1)COc1cncc(c1)c1ccc2c(c1)cn[nH]2	0.13	0.0
Compound_595	N[C@@H](CC1=C2C=CC=C[C@H]2N=C1)COc1cncc(c1)c1ccc2c(c1)cn[nH]2	0.13	0.0
Compound_596	N[C@@H](CC1=C2C=CCC=C2N=C1)COc1cncc(c1)C1=NCC2=NN=CC2=C1	0.09	0.0
Compound_597	O=C(C1CCCCC1)O/N=C/c1ccc(cc1)O	0.28	0.0
Compound_598	Oc1ccc(cc1)C[C@@]1(O)N=c2n(C1=O)cc(nc2Cc1ccccc1)c1ccc(cc1)O	0.01	0.0
Compound_599	O=C(N[C@@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N)Cc1ccccc1	0.01	0.0
Compound_600	CC(=O)OC[C@@H]1CS[C@H]2N([C@@H]1C(=O)O)C(=O)[C@H]2NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN	0.01	0.0
Compound_601	CNC(=O)c1c(oc2c1cc(OC(C)C)c(c2)NS(=O)(=O)C)c1ccc(cc1)F	0.64	1.0
Compound_602	OC(=O)CCO/N=C/c1ccccc1C(F)(F)F	0.05	0.0
Compound_603	O=C1CCc2c(N1)ncc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C	0.01	0.0
Compound_604	Fc1ccc(cc1)Sc1ccc(nc1C(=O)Nc1scc(n1)C)Sc1nncn1C	0.55	1.0
Compound_605	C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1nc[nH]n1	0.05	0.0
Compound_606	Fc1ccc(cc1)c1[nH]nc(n1)c1ccccc1	0.9	1.0
Compound_607	COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(cn1)C(=O)N	0.01	0.0
Compound_608	OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)[C@@H]([C@H]([C@@H]1O)O)O	0.27	0.0
Compound_609	Fc1cc(CNCCC2CCOCC2)ccc1Oc1ccc(cn1)C(=O)N	0.04	0.0
Compound_610	O[C@H]1C[C@H](O)CC(=C/C=C/[C@@H]2CC[C@](C2(C)C)(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)C1	0.07	0.0
Compound_611	CCOc1c(OCC)cc2c(c1F)C(=N)N(C2)CC(=O)c1cc(N2CCOCC2)c(c(c1)C(C)(C)C)OC	0.02	0.0
Compound_612	O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl	0.04	0.0
Compound_613	O=C(OC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1)CCCc1ccccc1	0.92	1.0
Compound_614	OC[C@H]1O[C@]2(ON=C(C2)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.02	0.0
Compound_615	OC[C@H]1O[C@]2(ON[C@@H](C2)c2ccc(cc2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_616	OC[C@H]1O[C@]2(ON[C@@H](C2)c2ccc3c(c2)cccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_617	N#C[C@@](NC(=O)[C@@H](NC(=O)N1CCOCC1)CC1CCCCC1)(COCc1ccccc1)C	0.05	0.0
Compound_618	O=C(c1cnc2c(n1)cccc2)N1C[C@H]([C@H](C1)N)C(=O)N1CCCC1	0.0	0.0
Compound_619	O[C@@H](C(=O)O)CNC(=O)NCc1ccccc1	0.02	0.0
Compound_620	SCCNC(=NS(=O)(=O)c1ccc(cc1)N)O	0.05	0.0
Compound_621	N#Cc1cnn2c1nc(Cl)cc2NC(C)C	0.17	0.0
Compound_622	OCC(=O)N1CCN(CC1)c1ccc(cc1)Nc1nccc(n1)c1cnc(n1C(C)C)C	0.01	0.0
Compound_623	O=C(Nc1ccc(cc1F)n1ccccc1=O)CN1C[C@@H]([C@H](C1)F)NC(=O)c1ccc(s1)Cl	0.01	0.0
Compound_624	O=C(Nc1ccc(cc1F)n1ccccc1=O)CN1C[C@@H]([C@H](C1)O)NC(=O)c1ccc(s1)Cl	0.0	0.0
Compound_625	OC(=O)N1CCC(CC1)Cc1cnc2c(c1)cccc2	0.06	0.0
Compound_626	COCCNS(=O)(=O)c1ccc(cc1)Nc1nccc(n1)c1cnc(n1C(C)C)C	0.01	0.0
Compound_627	CNS(=O)(=O)c1ccc(cc1)Nc1nccc(n1)c1cnc(n1C1CC1)C	0.19	0.0
Compound_628	O=C(c1ccccc1)Nc1c[nH]nc1c1nc2c([nH]1)cccc2	0.02	0.0
Compound_629	O=C(Nc1c[nH]nc1c1nc2c([nH]1)ccc(c2)CN1CCOCC1)NC1CC1	0.02	0.0
Compound_630	COc1cc2CCN=C(c2cc1Cl)c1cccc(c1)Br	0.05	0.0
Compound_631	OC(=O)N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F	0.03	0.0
Compound_632	Cn1nc(c2c1c1nc(ncc1CC2)Nc1ccccc1)C(=O)O	0.04	0.0
Compound_633	NC[C@@H]1OCCN(C1)c1c(Br)cnc2c1c[nH]n2	0.17	0.0
Compound_634	NC[C@@H]1OCCN(C1)c1c(cnc2c1c[nH]n2)c1ccccc1	0.09	0.0
Compound_635	Nc1[nH]c2c(n1)cc1c(c2)nc([nH]c1=O)N	0.05	0.0
Compound_636	OC(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)C)C(=O)N	0.04	0.0
Compound_637	O=C([C@@H]1CCCN1C(=O)CCC1CCCCC1)NCc1ccc(cc1)C(=N)N	0.01	0.0
Compound_638	O=C([C@@H]1CCCN1C(=O)COC1CCCCC1)NCc1ccc(cc1)C(=N)N	0.01	0.0
Compound_639	O=C([C@@H]1CCCN1C(=O)CCC1CCCC1)NCc1ccc(cc1)C(=N)N	0.01	0.0
Compound_640	O=C([C@@H]1CCCN1C(=O)COC1CCCC1)NCc1ccc(cc1)C(=N)N	0.02	0.0
Compound_641	Fc1cccc(c1)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N	0.05	0.0
Compound_642	CSc1sc(c2c1cccc2)C(=O)N1CCC2(CC1)COc1c2cc(CN)cc1	0.07	0.0
Compound_643	NCc1ccc2c(c1)C1(CCN(CC1)C(=O)/C=C/c1ccccc1)CO2	0.15	0.0
Compound_644	Cc1cccc(c1)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N	0.03	0.0
Compound_645	CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)Cl)N	0.03	0.0
Compound_646	O=C([C@@H]1CCCN1C(=O)CNC1CCCCCC1)NCc1ccc(cc1)C(=N)N	0.03	0.0
Compound_647	CC(C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)Cl)N)C	0.03	0.0
Compound_648	CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)N	0.01	0.0
Compound_649	O=C([C@@H]1CCCN1C(=O)CNC1CCCCCCC1)NCc1ccc(cc1)C(=N)N	0.11	0.0
Compound_650	O=C([C@@H]1CCCN1C(=O)CCc1ccccc1)NCc1ccc(cc1)C(=N)N	0.01	0.0
Compound_651	CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N	0.01	0.0
Compound_652	CC(CCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)C	0.01	0.0
Compound_653	SCCCC(=O)NC1CCN(CC1)Cc1ccccc1	0.01	0.0
Compound_654	SCCNC(=O)[C@H]1NCCN(C1)Cc1ccc(cc1)F	0.01	0.0
Compound_655	SCCCNC(=O)[C@H]1NCCN(C1)Cc1ccc(cc1)F	0.0	0.0
Compound_656	SCCCC(=O)NC1CCN(CC1)Cc1cc(Br)cc(c1OC)OC	0.0	0.0
Compound_657	C[C@@H]1NCCN(C1)c1ccc2c(c1)n1cncc1c(n2)Nc1c(C)cccc1Cl	0.03	0.0
Compound_658	Clc1ccccc1Nc1ncc(n2c1cnc2)c1ccccc1	0.18	0.0
Compound_659	CC(C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)N)C	0.0	0.0
Compound_660	O=C([C@@H]1CCCN1C(=O)CNC1CCCCC1)NCc1ccc(cc1)C(=N)N	0.02	0.0
Compound_661	Clc1ccc(cc1)CNCCN[C@@H]1CNC[C@@H]1Cc1cc(C)cc(n1)N	0.07	0.0
Compound_662	Clc1cccc(c1)CNCCN[C@H]1CNC[C@@H]1Cc1cc(C)cc(n1)N	0.08	0.0
Compound_663	N#Cc1ccc(cc1C(F)(F)F)NC(=O)[C@](COc1ccc(c(c1)F)Cl)(O)C	0.66	1.0
Compound_664	N#Cc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)I)C#N)(O)C	0.46	0.0
Compound_665	N#Cc1ccc(cc1C(F)(F)F)N[C@@H]([C@](COc1ccc(cc1)N(=O)=O)(O)C)O	0.23	0.0
Compound_666	O=C([C@](COc1c(F)c(F)c(c(c1F)F)F)(O)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.16	0.0
Compound_667	O=C(OC(C)(C)C)NCc1c[nH]c2c1c(=O)[nH]c(n2)N	0.04	0.0
Compound_668	N#Cc1ccc(cc1)N1C(=O)c2c(C1=O)c(C)ccc2	0.45	0.0
Compound_669	Oc1ccc(cc1N1C(=O)c2c(C1=O)c(C)ccc2)c1ccccc1	0.47	0.0
Compound_670	Clc1nccc(c1)N1C(=O)c2c(C1=O)c(C)ccc2	0.84	1.0
Compound_671	Nc1nc2cc3[nH]c(nc3cc2c(=O)[nH]1)NCCN1CCOCC1	0.01	0.0
Compound_672	F[C@H]1CCN(C1)C(=O)[C@H]([C@@H]([C@@H]1ON[C@@H](N1)c1ccc(cc1F)S(=O)(=O)C)CC1CC1)N	0.05	0.0
Compound_673	CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F	0.02	0.0
Compound_674	CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cccnc1)F	0.35	0.0
Compound_675	CN(c1nccc(n1)c1cnc2n1cccc2)C1CCCCC1	0.02	0.0
Compound_676	CCc1ccsc1c1ccc(c(c1)O)O	0.92	1.0
Compound_677	C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)[C@@](C(F)(F)F)(O)C)CC1(CC1)C(=O)N	0.01	0.0
Compound_678	ON=C1CCc2c1ccc(c2)c1cn(nc1c1ccncc1)C1CCNCC1	0.02	0.0
Compound_679	OC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CCC(=O)O)CSCc1ccc(cc1)F	0.04	0.0
Compound_680	Oc1ccc2c(c1)C=CC1=CCC=C[C@@H]1N2Cc1cnc2c(n1)c(N)nc(n2)N	0.03	0.0
Compound_681	CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c1ccccc1)c1ccccc1)N	0.01	0.0
Compound_682	CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	0.12	0.0
Compound_683	O=C1N=C(CC(=N1)c1ccccc1)c1ccc(c(c1)C)O	0.03	0.0
Compound_684	NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(=C2)CC1CCCCCC1	0.19	0.0
Compound_685	Fc1ccc(cc1)COc1nc(Cl)c2n(c1=O)[C@@H](C=C2)C(=O)N1CCCC1	0.03	0.0
Compound_686	CC(=O)O[C@H](C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1cccc(c1)Cl	0.2	0.0
Compound_687	FCCOc1cccc(c1)NC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O	0.05	0.0
Compound_688	Cn1ncc(c1)c1ccc2n(n1)c(nn2)Sc1ccc2c(c1)cccn2	0.09	0.0
Compound_689	OC(=O)CCc1ccc(s1)c1cccc(c1)N(=O)=O	0.58	1.0
Compound_690	n1ccc(cc1)c1n[nH]c2c1cccc2	0.92	1.0
Compound_691	CC(CCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)Cl)C	0.07	0.0
Compound_692	OCCn1c2ccccc2c2c1c1CCc3c(c1c1c2C=NC1=O)ccc(c3)OC(C)C	0.03	0.0
Compound_693	FCC[C@H]1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N	0.03	0.0
Compound_694	Clc1cccc(c1)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)N	0.02	0.0
Compound_695	NC(=O)C[C@@H]1CCCc2c1c1c(=O)[nH]c(nc1s2)C(=O)NCc1ccc2c(c1)NC(=O)CO2	0.01	0.0
Compound_696	CC(Nc1ccc2c(c1)n(nc2)c1cncc(n1)n1ccc(c1)CC(=O)O)C	0.03	0.0
Compound_697	Nc1[nH]nc2c1cc(cc2)c1ccccc1	0.88	1.0
Compound_698	Nc1[nH]nc2c1cc(cc2)c1ccc(cc1)S(=O)(=O)NC(C)(C)C	0.27	0.0
Compound_699	NCc1ccc(cc1)C(=O)N1CCC2(CC1)Nc1cccc(c1C(=N2)N)F	0.02	0.0
Compound_700	CCOC(=O)N1CCC(CC1)Nc1nccc(c1)Cl	0.16	0.0
Compound_701	O=C(c1ccoc1)NCC[C@H]1N=C(N)c2c(N1)c(F)ccc2F	0.01	0.0
Compound_702	CCN1c2c(F)ccc(c2C(=NC21CCN(CC2)C(=O)C1=CN=C(CC1)C#N)N)F	0.01	0.0
Compound_703	NC[C@H](c1ccccc1)NC(=O)c1ccc(s1)c1ccnc2c1cc[nH]2	0.17	0.0
Compound_704	OC[C@H](CC1(CC1)S(=O)(=O)Nc1c(OC)cc(c(c1Nc1ccc(cc1F)I)F)F)O	0.05	0.0
Compound_705	CCC[C@H]1COc2c(C(=N)N1)scc2	0.01	0.0
Compound_706	NC1=N[C@H](COc2ccc3c(c2)CNCC3)COc2c1scc2	0.01	0.0
Compound_707	O=C(Cc1cccc(c1)Cl)OC[C@@H]1CCCN1C(=O)CNC(=O)OC(C)(C)C	0.02	0.0
Compound_708	CC(C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccccc1)C	0.08	0.0
Compound_709	COc1cc(ccc1Nc1nc(Nc2cccc(c2C(=O)N)F)c2c(n1)[nH]cc2)CS(=O)(=O)C	0.06	0.0
Compound_710	OC[C@@H](NC(=O)c1sc(nc1C)c1ccnc(n1)Nc1cc(C)cc(c1)C)C	0.01	0.0
Compound_711	O=C(N1CC(C[C@H]1C(=O)N1CCCC1)(F)F)CCN1C(=O)c2c(C1=O)cccc2	0.02	0.0
Compound_712	COc1ccc(cc1)S(=O)(=O)n1cc(c2c1ccc(c2)OC)CCC(=O)O	0.2	0.0
Compound_713	Cc1ccc(cc1NS(=O)(=O)C)Nc1ncnc(c1)c1ccccc1	0.79	1.0
Compound_714	C[C@@H](c1ccc(cc1)F)NC1=NC(=O)[C@](S1)(C)C(O)(C)C	0.12	0.0
Compound_715	c1[nH]c2c(c1)cc(cc2)OCCn1cccc1	0.56	1.0
Compound_716	C1CN[C@H](C1)COc1ccc(cc1)NCc1ccccc1	0.07	0.0
Compound_717	O=C(c1ccc(cc1)c1cscc1)c1ccc(cc1)OC[C@H]1CCCN1	0.04	0.0
Compound_718	C#CCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(o1)Br	0.01	0.0
Compound_719	O=N(=O)CC(C[C@H](C(=O)O)Cc1ccccc1)(O)O	0.12	0.0
Compound_720	C[C@@H]1CNc2c(C(=O)N1)sc1c2c2ccc(nc2cc1)c1ccc(nc1)C	0.01	0.0
Compound_721	COc1cc2c3NC[C@H](NC(=O)c3sc2cc1)CN	0.01	0.0
Compound_722	CSc1nc2ccccc2c(=O)n1c1c(F)cccc1F	0.03	0.0
Compound_723	ON=C1c2c(cccc2N(C1=O)Cc1cc(F)cc2c1OCOC2)/C=C/c1ccccc1	0.03	0.0
Compound_724	ON=C1C(=O)N(c2c1c(ccc2)c1ccccc1)Cc1cc(F)cc2c1OCOC2	0.02	0.0
Compound_725	Fc1ccc(c(c1)F)n1ncc2c1n(C)c(=O)cc2Nc1cc(ccc1C)C(=O)NC1CC1	0.0	0.0
Compound_726	COC(=O)C[C@@H](C(=O)C)NC(=O)OC(C)(C)C	0.36	0.0
Compound_727	CNc1ccc(cc1C(=O)Nc1scc(n1)C)Sc1nncn1C	0.4	0.0
Compound_728	Cc1cccc(n1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2	0.52	1.0
Compound_729	COc1ccc(cc1C[C@H](c1c[nH]c(n1)N)c1ccc(c(c1)F)OC)N(=O)=O	0.73	1.0
Compound_730	N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccc(c1)S(=O)(=O)C)Cc1cccc(c1)Cl	0.02	0.0
Compound_731	CN1CCN(CC1)S(=O)(=O)c1cc2c(cc1C)C[C@@H](NS2(=O)=O)C1CCCC1	0.02	0.0
Compound_732	O=C(N[C@H](C(=O)N[C@H]([P@](=O)(O[C@H](C(=O)O)Cc1ccccc1)O)C)C)OCc1ccccc1	0.06	0.0
Compound_733	NC[C@@H]1CCCN1	0.05	0.0
Compound_734	SCCCC(=O)NC1CCN(CC1)Cc1c(OC)cccc1OC	0.0	0.0
Compound_735	OC(=O)C(=O)CCCc1ccccc1	0.15	0.0
Compound_736	CCOC(=O)[C@H](c1ccc(cc1)O[C@@H]1CNCC1)Cc1ccc2c(c1)cc(cc2)C(N)N	0.07	0.0
Compound_737	CC(C[C@@H]1CN(CCN1C(=O)c1ncc(cn1)c1ccncc1)S(=O)(=O)c1cc2c([nH]1)ccc(c2)Cl)C	0.19	0.0
Compound_738	Nc1nc2cc3[nH]c(nc3cc2c(=O)[nH]1)NCc1cccs1	0.06	0.0
Compound_739	O=NC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1	0.08	0.0
Compound_740	O=NC(=O)CNS(=O)(=O)c1ccc(cc1)F	0.05	0.0
Compound_741	O=NC(=O)CNS(=O)(=O)c1ccccc1	0.05	0.0
Compound_742	O=C(Nc1cccc2c1cccc2)Nc1cc(nn1c1cccc(c1)N)C(C)(C)C	0.14	0.0
Compound_743	CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F	0.0	0.0
Compound_744	CC(=O)Nc1nc(c([nH]1)c1ccc2c(c1)nccn2)c1ccc(c(n1)C)F	0.13	0.0
Compound_745	NS(=O)(=O)c1ccc2c(c1)nc([nH]2)c1cscn1	0.02	0.0
Compound_746	O/N=C/1\C[C@H](Cc2c1c(C)nc(n2)N)c1ccc(cc1c1cccnc1)F	0.05	0.0
Compound_747	OC(=O)c1cccc2c1n(Cc1ccccc1)c1c2CCCC1	0.03	0.0
Compound_748	C/C(=C\CNCCNC1C2CC3CC1CC(C2)C3)/CCC=C(C)C	0.11	0.0
Compound_749	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)/C=C/c1ccc(cc1N(=O)=O)N(=O)=O)Cc1cccs1	0.01	0.0
Compound_750	O=C1Nc2ccc(cc2[C@@]2(N(C1)CCO2)c1ccccc1F)Br	0.01	0.0
Compound_751	c1cc(nc(n1)Nc1ccc2c(c1)[nH]cn2)Nc1n[nH]c(c1)C1CC1	0.41	0.0
Compound_752	CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1	0.03	0.0
Compound_753	COc1cc(cc(c1)c1ccccc1)[C@H](C#Cc1c(C)nc(nc1N)N)C	0.27	0.0
Compound_754	O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl	0.07	0.0
Compound_755	NCCON=C1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.02	0.0
Compound_756	Clc1ccc(c(c1)Cl)[C@H]1C2=C(Nc3c(N1C(=O)C)cccc3O)CC(CC2=O)(C)C	0.05	0.0
Compound_757	N#Cc1cc(ccc1F)CN1CCC(CC1)Nc1ncnc2c1cc(s2)Cl	0.01	0.0
Compound_758	Clc1ccc(c(c1Oc1ccccc1)F)Cc1ccc(=O)[nH]n1	0.03	0.0
Compound_759	O=C(c1ccc2c(c1)cccc2)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.07	0.0
Compound_760	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2c(n1)ncn2	0.66	1.0
Compound_761	O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1	0.0	0.0
Compound_762	COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N	0.0	0.0
Compound_763	O=C(NCCc1c[nH]cn1)CCCC(=O)O	0.03	0.0
Compound_764	CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c1c3CCCc2c1[nH]nc2C	0.02	0.0
Compound_765	CCCCCC(=O)N[C@H](C(=O)O)CCO	0.03	0.0
Compound_766	NC[C@H](C[P@@H](=O)O)F	0.3	0.0
Compound_767	NCC(=O)N1C[C@@H](C[C@H]1C(=O)O)NC(=O)c1ccccc1	0.0	0.0
Compound_768	Brc1cc(/C=C/c2ccccc2)cc(c1O)Br	0.98	1.0
Compound_769	O=C(c1cc(C)c(c(c1)C)O)Nc1cc(Br)c(c(c1)Br)O	0.88	1.0
Compound_770	ClN(C(CS(=O)(=O)O)(C)C)Cl	0.12	0.0
Compound_771	CNS(=O)(=O)c1ccc(cc1)Nc1ncc(c(n1)N[C@@H]1CCC[C@H]1N(C)C)C(F)(F)F	0.01	0.0
Compound_772	CC(OC(=O)C1=CN(CC(c2c1[nH]c1c2cccc1)(C)C)C(=O)c1ccc(c(c1)F)F)C	0.02	0.0
Compound_773	N#Cc1ccc(c(c1)F)COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](C(=O)O)CCC(=O)O	0.13	0.0
Compound_774	COc1cc(cc(c1)c1c(C)cccc1C)[C@H](C#Cc1c(C)nc(nc1N)N)C	0.53	1.0
Compound_775	O=C(N1CCC[C@H]1C(=O)N1CCCC1)CCn1c2ccccc2nc(c1=O)c1ccccc1	0.0	0.0
Compound_776	Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N	0.02	0.0
Compound_777	O[C@H]1C[C@@H](O[C@@H]1CN1CCCCC1)n1cc(C)c(=O)[nH]c1=O	0.0	0.0
Compound_778	N#Cc1cc(cc(c1)C)Oc1ccc(cc1Br)Cc1n[nH]c2c1ccnn2	0.59	1.0
Compound_779	CN1CCN(CC1)c1cnc2c(n1)c(cc(c2)C(F)(F)F)c1cccc(c1)O	0.01	0.0
Compound_780	OC(=O)[C@H]1C[C@]21C[C@H](NC2=O)c1ccc(cc1)OCc1cc(nc2c1cccc2)c1ccccc1	0.11	0.0
Compound_781	O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl	0.04	0.0
Compound_782	Brc1ccc(cc1)C(=O)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.09	0.0
Compound_783	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(NCc2ccc(c(c2)Cl)Cl)nc2c1ncnc2N	0.03	0.0
Compound_784	Clc1ccc(cc1)C(=O)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.06	0.0
Compound_785	N#Cc1cc(cc(c1)C#N)Oc1c(F)ccc2c1c(C)n[nH]2	0.64	1.0
Compound_786	CCCCOc1nc(NCCN2CCOCC2)c2c(n1)n(cn2)Cc1c(F)cccc1F	0.04	0.0
Compound_787	Cc1cc(Nc2ccc3c(c2)cc2c(c3)cccc2)n2c(n1)ncn2	0.69	1.0
Compound_788	CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc1ncnc2c1nc[nH]2	0.01	0.0
Compound_789	COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F	0.04	0.0
Compound_790	O=C(c1c(C)cccc1C)Nc1cc(Br)c(c(c1)Br)O	0.97	1.0
Compound_791	O=C(c1ccc(cc1)C(C)(C)C)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.21	0.0
Compound_792	O=C(C12CC3CC(C2)CC(C1)C3)Cn1cncc1	0.17	0.0
Compound_793	CCCCC/C=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C/CCCCC	0.61	1.0
Compound_794	Clc1[nH]c(=O)[nH]c(=O)c1CCCCOP(=O)(O)O	0.02	0.0
Compound_795	CCCC[C@@H](C(=O)N1CCC[C@H]1c1nc2c(o1)cccc2)CN(C=O)O	0.03	0.0
Compound_796	Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C	0.01	0.0
Compound_797	CCn1ncc2c1ncc(c2NC1CCOCC1)C(=O)NCc1ccccc1	0.01	0.0
Compound_798	N#CC1(CC1)NC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C	0.05	0.0
Compound_799	Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C	0.87	1.0
Compound_800	OC(=O)Cc1ccc(cc1)c1c[nH]c2c1cc(cn2)c1ccc2c(c1)cccc2	0.1	0.0
Compound_801	O=C(Nc1ccc(cc1F)n1ccccc1=O)CN1CC[C@H](C1)NC(=O)c1ccc(s1)Cl	0.01	0.0
Compound_802	n1ccc(cc1)Cc1c[nH]nc1c1ccc(cc1)OCc1ccc2c(n1)cccc2	0.36	0.0
Compound_803	NC(=O)c1cnc2c(c1)n(cc2)S(=O)(=O)c1ccccc1N(=O)=O	0.01	0.0
Compound_804	O=C(N[C@H](C(=O)O)CC(=O)O)Cc1cc(c2nc3c([nH]2)ccc(c3)C(=N)N)c(c(c1)c1cc(ccc1O)S(=O)(=O)N)O	0.03	0.0
Compound_805	FC(Oc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)N(=O)=O)(F)F	0.01	0.0
Compound_806	O=C1O[C@H](CN1c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C)COP(=O)(O)O	0.01	0.0
Compound_807	OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C	0.03	0.0
Compound_808	OCCONC(=O)c1cc(CN2OCCCC2=O)c(c(c1Nc1ccc(cc1F)I)F)F	0.01	0.0
Compound_809	Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C	0.17	0.0
Compound_810	CCOC(=O)C(NP(=O)(c1ccc(o1)c1nc(sc1C(=O)C(C)(C)C)N)NC(C(=O)OCC)(C)C)(C)C	0.27	0.0
Compound_811	COc1cc2c(cc1C(=O)N)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C	0.29	0.0
Compound_812	CCN(CCOP(=O)(O)O)CCCOc1ccc2c(c1)ncnc2Nc1n[nH]c(c1)CC(=O)Nc1cccc(c1)F	0.01	0.0
Compound_813	Oc1cc(O)c(cc1c1n[nH]c(=O)n1c1ccc2c(c1)ccn2C)C(C)C	0.05	0.0
Compound_814	NCCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@H](Cc1c(C)cc(cc1C)O)NC(=O)[C@@H](CCCNC(=N)N)N	0.02	0.0
Compound_815	O=C(N1CCC[C@](C1)(Cc1ccccc1)C(=O)N(N(C)C)C)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2	0.02	0.0
Compound_816	COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C(O3)(C)C)F)cc(c1OC)OC	0.01	0.0
Compound_817	BrCCN(c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)NCCOP(=O)(O)O)CCOS(=O)(=O)C	0.34	0.0
Compound_818	O=C1C=C[C@]2(C(=C1)CC[C@@H]1C2=CC[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)C)C)C	0.0	0.0
Compound_819	O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O	0.0	0.0
Compound_820	COC(=O)N1CCC(CC1)CN1CCC(CC1)CNC(=O)c1cccc2c1nc([nH]2)C(C)C	0.0	0.0
Compound_821	CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)/C=C/C(=O)NO	0.05	0.0
Compound_822	COc1cccc(c1)Nc1ncnn2c1c(cc2)CN1CC[C@H]([C@@H](C1)O)N	0.0	0.0
Compound_823	O=C(Cc1ccc(cn1)c1ccc(cc1)OCCN1CCOCC1)NCc1ccccc1	0.01	0.0
Compound_824	OCCONC(=O)c1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C	0.0	0.0
Compound_825	CNc1cc2nc(O)n(c(=O)c2cc1F)c1ccc(cc1)N/C(=N/S(=O)(=O)c1ccc(s1)Cl)/O	0.16	0.0
Compound_826	Nc1ncc(c(c1)C(F)(F)F)c1cc(nc(n1)N1CCOCC1)N1CCOCC1	0.04	0.0
Compound_827	CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1	0.19	0.0
Compound_828	COc1ccc2c(c1)nc(n2S(=O)(=O)c1ccc(cc1)OCC(=O)O)[S@@](=O)Cc1ncc(c(c1C)OC)C	0.34	0.0
Compound_829	Cn1ncc(c1)c1ccc2n(n1)c(nn2)C(c1ccc2c(c1)cccn2)(F)F	0.07	0.0
Compound_830	CCO[C@@H]1Cc2c([C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)ccc(c2)C(F)(F)F	0.01	0.0
Compound_831	Brc1cc(Br)c2c(c1)[C@H](NCCCNc1cc(=O)c3c([nH]1)ccs3)CCO2	0.06	0.0
Compound_832	CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C21CCC2)c1cnc(c(c1)C(F)(F)F)C#N	0.03	0.0
Compound_833	Clc1ccc(cc1)Cc1nn(C[C@H]2CCCN2CCCCc2ccc(cc2)OCCCN2CCCCCC2)c(=O)c2c1cccc2	0.0	0.0
Compound_834	CC(c1ccccc1c1ccc2c(c1)[nH]c(n2)/C=C/c1ccc(cc1)C(F)(F)F)(O)C	0.32	0.0
Compound_835	CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C	0.0	0.0
Compound_836	O=C1NC(=O)/C(=C/c2ccc3c(c2)c(ccn3)c2ccncc2)/S1	0.1	0.0
Compound_837	OC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@H](C(=O)O)CCCCNC(=O)Nc1ccc(cc1)I	0.09	0.0
Compound_838	O=C(N[C@H](C(=O)O)CCC(=O)O)N[C@H](C(=O)O)CCCCNCc1ccc(cc1)I	0.04	0.0
Compound_839	Clc1ccccc1C(=O)c1cccnc1c1nnn(c1c1ccncc1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.52	1.0
Compound_840	COc1ccc(cc1)COc1cc2oc(=O)c3c(c2cc1OC)ccc(c3)[C@@H](O)C	0.5	0.0
Compound_841	CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C	0.01	0.0
Compound_842	OCCn1ncc(c1)c1cnc2c(n1)n(nn2)Cc1ccc2c(c1)cccn2	0.02	0.0
Compound_843	CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1nccc(c1)Oc1ccc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F	0.0	0.0
Compound_844	CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2	0.01	0.0
Compound_845	COc1cc2c(cc1OC)CCN1[C@@H]2C[C@@H](OC(=O)[C@H](C(C)C)N)[C@@H](C1)CC(C)C	0.02	0.0
Compound_846	OC(=O)Cn1nnc(n1)c1onc(c1)N1CCC(CC1)Oc1cc(F)ccc1Br	0.02	0.0
Compound_847	OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(O)CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.0	0.0
Compound_848	CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1c2ccc(c1)Nc1ncc(c(n1)NC1CCC1)C(F)(F)F	0.01	0.0
Compound_849	Fc1ccc(cc1)CC[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@](c1ccccc1)(N1CCCCC1)C	0.0	0.0
Compound_850	ONC(=O)CCCCCCOc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C	0.01	0.0
Compound_851	OC[C@@H](Cn1cnc2c(c1=O)c(Nc1ccc(cc1F)I)c(c(=O)n2C)F)O	0.0	0.0
Compound_852	C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C	0.02	0.0
Compound_853	NC[C@@H](NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F	0.02	0.0
Compound_854	NC[C@@H](NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F	0.02	0.0
Compound_855	OCCOc1c(C)cc(cc1C)c1nc2cc(OC)cc(c2c(=O)[nH]1)OC	0.0	0.0
Compound_856	N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1	0.01	0.0
Compound_857	O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1	0.01	0.0
Compound_858	Fc1cc2C[C@H](COc2c(c1)F)n1c(CCNCc2ccccc2)c[nH]c1=S	0.01	0.0
Compound_859	Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1	0.04	0.0
Compound_860	CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br	0.04	0.0
Compound_861	COC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc(s1)C)COC	0.05	0.0
Compound_862	O=C(c1sc(nc1C)c1cccnc1)Nc1ccccc1c1cn2c(n1)scc2CN1CCOCC1	0.04	0.0
Compound_863	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O	0.09	0.0
Compound_864	NC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1F)c1nocn1)CCC(F)(F)F	0.07	0.0
Compound_865	OC[C@H]1O[C@H](C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)O)n1cnc(nc1=O)N	0.0	0.0
Compound_866	O=C(CN1[C@@H](CNC2(C1=O)CCCC2)c1cc(F)cc(c1)F)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2	0.0	0.0
Compound_867	CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n[nH]c2Nc1nc(C)nc2c1scc2)C	0.01	0.0
Compound_868	CCc1c(C)c2c(n1CC(F)(F)F)ccc1c2c(Cl)cc(=O)[nH]1	0.1	0.0
Compound_869	O=C1OCC2=C1CC[C@]1([C@@]2(O)C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C	0.28	0.0
Compound_870	O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1	0.01	0.0
Compound_871	NCCC[C@]1(SC(=NN1C(=O)N(OC)C)c1cc(F)ccc1F)c1ccccc1	0.11	0.0
Compound_872	OCC[C@@H](c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2	0.01	0.0
Compound_873	COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F	0.01	0.0
Compound_874	Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F	0.02	0.0
Compound_875	CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F	0.0	0.0
Compound_876	O=CN(C[C@H](C(=O)NNc1nc(C)nc(c1F)N1CCN2[C@@H](C1)COCC2)CC1CCCC1)O	0.01	0.0
Compound_877	CCOC(=O)[C@H](Cc1ccc(cc1)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl)N	0.04	0.0
Compound_878	CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC	0.05	0.0
Compound_879	OC(=O)Cc1cc(Cl)c(cc1F)Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C1CC1)C(=O)NC(C)(C)C	0.19	0.0
Compound_880	C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@@H](C(=O)NCCCc2c(O1)cccc2)Cc1ccc(cc1)F	0.01	0.0
Compound_881	Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O	0.47	0.0
Compound_882	O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1	0.02	0.0
Compound_883	NC(=O)c1cccc2c1nn(c2)c1ccc(cc1)[C@@H]1CCCNC1	0.0	0.0
Compound_884	OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2	0.0	0.0
Compound_885	Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N	0.01	0.0
Compound_886	OC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)N1CCN(N=C1)C	0.01	0.0
Compound_887	FCCOCCOCCOc1ccc(cn1)/C=C/c1ccc(cc1)NC	0.07	0.0
Compound_888	C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2	0.08	0.0
Compound_889	CN1CCN(CC1)Cc1ccc2c(c1)CN(C2)C(=O)c1cc(C(C)C)c(cc1O)O	0.02	0.0
Compound_890	N#Cc1c[nH]c(n1)C(=O)Nc1ccc(nc1C1=CCC(CC1)(C)C)C1CC(C)(C)OC(C1)(C)C	0.01	0.0
Compound_891	COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1	0.13	0.0
Compound_892	O=C1Nc2ccccc2c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2	0.09	0.0
Compound_893	OC(=O)CCCC[C@@H](SCc1ccccc1)CCSCc1ccccc1	0.46	0.0
Compound_894	ClCCN([P@]1(=O)OCC[C@H](N1)OO)CCCl	0.1	0.0
Compound_895	CCCCCCCCCCO[C@H](CO[P@](=O)(OC[C@H]1O[C@H](C[C@@H]1N=N#N)n1cc(C)c(=O)[nH]c1=O)O)CSCCCCCCCCCCCC	0.01	0.0
Compound_896	CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)C	0.5	0.0
Compound_897	O=C(OCc1ccccc1)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1	0.01	0.0
Compound_898	CCCCCCCC(=O)N[C@H]1CCOC1=O	0.05	0.0
Compound_899	O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F	0.03	0.0
Compound_900	CCn1nccc1c1c[nH]c2c1cc(cn2)c1ccc(c(c1)C(=O)N(C)C)N	0.08	0.0
Compound_901	N[C@H](C(=O)C)CCc1ccccc1	0.06	0.0
Compound_902	O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O	0.0	0.0
Compound_903	OC(=O)c1c(Br)c(C(=O)O)c(c(c1Br)N)Br	0.15	0.0
Compound_904	OC[C@@H](CCON=C1c2ccccc2N/C/1=C/1\C(=O)Nc2c1cccc2)O	0.01	0.0
Compound_905	COCCOc1cc2ncc3c(c2cc1OC)cc(nc3N)n1cncc1	0.03	0.0
Compound_906	COc1cc(cc(c1)c1cc(C)cc(c1)C)[C@H](C#Cc1c(C)nc(nc1N)N)C	0.61	1.0
Compound_907	COc1cc(cc(c1)c1ccc(cc1)C)[C@H](C#Cc1c(C)nc(nc1N)N)C	0.61	1.0
Compound_908	O=C(C1CCC2(CC1)OC(=O)c1c2cncc1)Nc1ccn(n1)c1ccccc1F	0.01	0.0
Compound_909	COc1ccc(c(c1)CC#Cc1c(N)nc(nc1CC)N)OC	0.5	0.0
Compound_910	O=C1OCCC1=CNc1ccccc1	0.29	0.0
Compound_911	O[C@@H]1[C@@H](CO[P@](=O)(O[P@@](=O)(C[P@](=O)(OP(=O)(O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.02	0.0
Compound_912	CCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.68	1.0
Compound_913	O=C(Nc1ccc(cc1Cl)S(=O)(=O)N)CSC(=O)N1CCCc2c1ccc(c2)C	0.05	0.0
Compound_914	C[C@H]1Cc2c3cc(F)c(cc3[nH]c2[C@@]2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl	0.04	0.0
Compound_915	CCOc1ccc(cc1)Cc1cc(c(cc1C)OC)[C@@H]1S[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.27	0.0
Compound_916	C=C/C(=C/C=C/C(=C/C=C\1/C(=CCCC1(C)C)C)/C)/C	0.68	1.0
Compound_917	CO[C@H](C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1	0.07	0.0
Compound_918	COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)CC(=O)O	0.03	0.0
Compound_919	OC(=O)CCC(=NOCc1ccc(cc1)OCc1nc(oc1C)c1ccccc1)c1ccccc1	0.02	0.0
Compound_920	O=C(Nc1ccc(cc1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccc(cc1)C(=O)N1CCC(CC1)N(C)C	0.0	0.0
Compound_921	O[C@@H]1[C@H](O)[C@H](O[C@H]1c1cccc(n1)C(=O)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.01	0.0
Compound_922	O[C@@H]1[C@H](O)[C@H](O[C@H]1c1cncc(c1)C(=O)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.01	0.0
Compound_923	CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC	0.02	0.0
Compound_924	CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)C	0.01	0.0
Compound_925	CCCCCC/C=C/[C@H]1[C@@H]2N=N[C@H]([C@@H]1CC=CCCCC(=O)O)C2	0.05	0.0
Compound_926	COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)NCCCC(=O)O)c(=O)n(c1C)Cc1c(F)cccc1C(F)(F)F	0.01	0.0
Compound_927	O=C(CC12CCCN2CCC1)Nc1c(C)cccc1C	0.02	0.0
Compound_928	O=C([C@H]1CC(=O)N(C1)C1CCCCC1)Nc1cc(Cl)ccc1C	0.12	0.0
Compound_929	Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CC[C@H](CC2)N1CCCC1	0.01	0.0
Compound_930	CC(CC(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)C1CCN(CC1)C)C	0.04	0.0
Compound_931	NC1=N[C@](CCS1)(C)c1cc(c2cncnc2)c(cc1F)F	0.04	0.0
Compound_932	OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	0.02	0.0
Compound_933	OC([C@H](Cc1ccccc1)N)[C@H](Cc1ccccc1)N	0.03	0.0
Compound_934	O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C	0.01	0.0
Compound_935	O=C1CN2CCCC[C@H]2c2c1c1ccccc1[nH]2	0.01	0.0
Compound_936	C[C@@H](C(=O)OC(Cc1ccc(cc1)Cl)(C)C)N	0.29	0.0
Compound_937	O=c1[nH]c2c(o1)c(ccc2)N1CCN(CC1)Cc1cccc(c1)c1ccccc1	0.0	0.0
Compound_938	COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1	0.06	0.0
Compound_939	N#Cc1ccc(cc1)Cn1cncc1CN1CCN(C(=O)C1)c1cccc(c1)Cl	0.03	0.0
Compound_940	C/C=C/C(=C/[C@@]1(C)SC(=O)C(=C1O)C)/C	0.74	1.0
Compound_941	O=C([C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N)NCc1ccccc1	0.0	0.0
Compound_942	OC[C@H]1O[C@H]([C@]([C@@H]1OC(=O)[C@H](C(C)C)N)(C)O)n1ccc(nc1=O)N	0.01	0.0
Compound_943	OC1CN(C1)C1=Nc2ccccc2C(=N[C@@H]1c1cccs1)c1ccccc1	0.01	0.0
Compound_944	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N)n1cnc2c1ncnc2N	0.01	0.0
Compound_945	Cc1cc(C)c2c(n1)c(ccc2)OCc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCC[C@H]1C(=O)NCCCNC(=O)c1ccc(cc1)C(=N)N	0.02	0.0
Compound_946	C#CCN([C@@H]1CCc2c1cccc2)C	0.01	0.0
Compound_947	N[C@H](C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(=O)(=O)N)Cc1ccccc1	0.02	0.0
Compound_948	Fc1cc(cnc1N1CCN(CC1)C(=O)c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)C(F)(F)F	0.07	0.0
Compound_949	Fc1ccc(cc1)Oc1ccc(cn1)C(=O)N1CCCN(CC1)C1CCC1	0.0	0.0
Compound_950	OC(=O)[C@H](CON=C1c2ccccc2c2c1cccc2)C	0.12	0.0
Compound_951	CCCCCC=CC[C@@H](/C=C/CC(=O)CCCCC(=O)O)O	0.08	0.0
Compound_952	CCCCCC=CCC=C[C@@H](CC(=O)CCCCC(=O)O)O	0.1	0.0
Compound_953	OC(=O)c1[nH]c(c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2[nH]1)O	0.11	0.0
Compound_954	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O)N)O	0.02	0.0
Compound_955	CCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)CO[P@](=O)(OC[C@H](CO)O)O	0.67	1.0
Compound_956	CCCCCCCCN=C1SC[C@H]2N1[C@@H](O)[C@H](O)[C@H]([C@@H]2O)O	0.06	0.0
Compound_957	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)N)O	0.03	0.0
Compound_958	O[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)CC(=O)N(CC(=O)O)N	0.01	0.0
Compound_959	O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1nc(NCc1cccc3c1cccc3)[nH]c2=O	0.0	0.0
Compound_960	CCCCCCCCCCNCCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N	0.01	0.0
Compound_961	O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccc2c1ccc(c2)N(=O)=O	0.12	0.0
Compound_962	CCCCCCCCC(=O)OC[C@@H](OC(=O)CCC)CO	0.7	1.0
Compound_963	COc1ccc(cc1OCc1ccccn1)C	0.92	1.0
Compound_964	COc1ccc(c(c1)OCc1ccncc1)C	0.97	1.0
Compound_965	CCCCCCCCNC(=S)N1[C@@H]2OC[C@H]1[C@H]([C@@H]([C@H]2O)O)O	0.01	0.0
Compound_966	OC(=O)CCCCCNC(=O)Cc1cc(I)c(c(c1)N(=O)=O)O	0.05	0.0
Compound_967	O[P@H](=O)C[C@@H]1CCc2c(O1)ccc(c2)C	0.28	0.0
Compound_968	O=C(Cc1ccc(c(c1)N(=O)=O)O)NCCCCCC(=O)O	0.01	0.0
Compound_969	CN1CCN(CC1)S(=O)(=O)c1cc2c(cc1C)N[C@@H](NS2(=O)=O)C1CCCC1	0.01	0.0
Compound_970	NC(=N)NCCCCNC(=O)c1csc(n1)c1cscn1	0.13	0.0
Compound_971	CC(CN(S(=O)(=O)c1ccccc1)C[C@H]1CNC[C@@H]1COCc1ccccc1)C	0.03	0.0
Compound_972	Brc1cccc(c1)C(=O)c1cnc(o1)N	0.56	1.0
Compound_973	Nc1ncc(o1)C(=O)N(Cc1ccccc1)Cc1ccccc1	0.05	0.0
Compound_974	Nc1nc(OCCOc2ccccc2)nc(n1)N	0.37	0.0
Compound_975	SCCC(=O)NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C	0.02	0.0
Compound_976	CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O	0.05	0.0
Compound_977	OCCNC(=O)CCNC(=O)[C@@H](C(COC(=O)C(C)(C)C)(C)C)O	0.03	0.0
Compound_978	CC([C@H](c1ocnn1)NC(=O)OC(C)(C)C)C	0.64	1.0
Compound_979	CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N	0.06	0.0
Compound_980	OC(=O)[C@H](CSCCC(=O)c1ccc(c(c1)Cl)Cl)N	0.03	0.0
Compound_981	O=C(Nc1ccc2c(c1)c(ncn2)Nc1ccccc1)CCSC[C@@H](C(=O)O)N	0.02	0.0
Compound_982	CCCCCC(=O)N[C@H](C(=O)O)CCS	0.05	0.0
Compound_983	O[C@H](COc1cccc2c1CC(=N2)C#N)CNC(C)(C)C	0.0	0.0
Compound_984	NCC[C@@H](c1cccc(c1)Cl)C(=O)Nc1ccc2c(c1)c(n[nH]2)NC(=O)c1ccccc1	0.23	0.0
Compound_985	CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(O)(O)O	0.05	0.0
Compound_986	c1ccc(cc1)c1ccc(cc1)Cn1ccnc1	0.62	1.0
Compound_987	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](C[C@H]1O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O	0.59	1.0
Compound_988	CCCCCCCC1=C(O)C(=O)c2c(C1=O)ncs2	0.22	0.0
Compound_989	Nc1nc(N)c2c(n1)cccc2OCC1CCN(CC1)Cc1cccc(c1Cl)Cl	0.1	0.0
Compound_990	OC(=O)[C@@H](NC(=O)COc1ccccc1)CON=C(C(=O)O)CCC(=O)O	0.01	0.0
Compound_991	O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1cc(C)c(cc1F)F	0.27	0.0
Compound_992	CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(CO[P@@H](=O)O)(C)C)O	0.07	0.0
Compound_993	CC[C@H](O[P@@](=O)(Cl)C)COc1ccccc1	0.84	1.0
Compound_994	CC([C@@H](C(=O)O)NS(=O)(=O)c1ccc2c(c1)sc1c2cccc1)C	0.33	0.0
Compound_995	COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)NCc1cnc2c(n1)c(N)nc(n2)N	0.03	0.0
Compound_996	Fc1ccc(cc1)n1ncc(c1N)C(=O)c1cccc(c1)OC1CCNCC1	0.03	0.0
Compound_997	C[C@@H](C(=O)C[P@@H](=O)O)[C@H](CC)O	0.16	0.0
Compound_998	OC[C@H]1O[C@H]2C=C[C@@H]3[C@@H](O[C@@H]2CC=C[C@@H]1O)C[C@@H]1[C@@H](O3)[C@H](O)[C@@H]2[C@@H](O1)CC=CCO2	0.48	0.0
Compound_999	CC(=O)Nc1cc2cccnc2c2c1cccn2	0.67	1.0
Compound_1000	O=C(N1CCC(CC1)c1onc(n1)c1cccs1)OC(C)(C)C	0.03	0.0