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2019-nCoV

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D3DockingVS

Job Title:title_200824091336

Job File:Molecule2020-8-17-199.sdf

File link:download

Score:

Mol Id	PLP/Plpro-Trimer	Pocket	3CLpro/Mpro-MD	Pocket
MOL_14	-10.37	Pocket1	-8.99550915	Pocket1
MOL_11	-10.12	Pocket1	-8.92543221	Pocket1
MOL_12	-9.74	Pocket3	-8.65486526	Pocket1
MOL_16	-9.73	Pocket3	-8.45852566	Pocket1
MOL_6	-9.55	Pocket3	-7.73869848	Pocket1
MOL_15	-9.52	Pocket3	-7.81691122	Pocket1
MOL_9	-9.33	Pocket3	-7.56158733	Pocket7
MOL_18	-9.18	Pocket3	-7.69637394	Pocket4
MOL_44	-9.15	Pocket1	-7.190557	Pocket1
MOL_7	-9.01	Pocket1	-7.58165359	Pocket1
MOL_1	-8.99	Pocket3	-7.31099176	Pocket1
MOL_60	-8.98	Pocket3	-7.43822098	Pocket1
MOL_5	-8.91	Pocket1	-7.24808598	Pocket1
MOL_28	-8.91	Pocket3	-7.42914152	Pocket1
MOL_45	-8.9	Pocket1	-7.55510902	Pocket1
MOL_46	-8.86	Pocket3	-7.24319458	Pocket1
MOL_3	-8.8	Pocket3	-7.86588097	Pocket1
MOL_10	-8.78	Pocket3	-7.3839283	Pocket1
MOL_91	-8.75	Pocket1	-7.65473127	Pocket1
MOL_39	-8.73	Pocket3	-7.78852463	Pocket1
MOL_78	-8.73	Pocket1	-8.27403545	Pocket1
MOL_35	-8.73	Pocket1	-7.38094997	Pocket1
MOL_52	-8.72	Pocket1	-7.10230923	Pocket4
MOL_76	-8.68	Pocket1	-7.50760984	Pocket1
MOL_22	-8.63	Pocket3	-7.17039728	Pocket1
MOL_42	-8.58	Pocket3	-6.98117876	Pocket1
MOL_21	-8.57	Pocket3	-6.82750177	Pocket4
MOL_13	-8.57	Pocket1	-6.80381346	Pocket1
MOL_4	-8.56	Pocket1	-7.28785944	Pocket1
MOL_43	-8.54	Pocket3	-6.96565485	Pocket1
MOL_47	-8.52	Pocket1	-7.6162076	Pocket1
MOL_95	-8.52	Pocket1	-7.36326599	Pocket1
MOL_37	-8.5	Pocket1	-7.02717924	Pocket2
MOL_40	-8.49	Pocket1	-7.61089993	Pocket1
MOL_30	-8.38	Pocket3	-7.18067455	Pocket1
MOL_34	-8.33	Pocket3	-7.1864171	Pocket1
MOL_41	-8.3	Pocket1	-8.17513847	Pocket1
MOL_62	-8.26	Pocket1	-7.00002384	Pocket1
MOL_2	-8.23	Pocket1	-7.33575678	Pocket1
MOL_73	-8.23	Pocket3	-7.32362986	Pocket1
MOL_89	-8.18	Pocket1	-7.27449894	Pocket1
MOL_19	-8.15	Pocket1	-7.18878651	Pocket1
MOL_99	-8.07	Pocket3	-7.13911772	Pocket1
MOL_8	-8.01	Pocket1	-7.54436445	Pocket1
MOL_97	-7.98	Pocket1	-6.5747633	Pocket1
MOL_80	-7.95	Pocket1	-7.77023602	Pocket1
MOL_61	-7.92	Pocket1	-6.87958431	Pocket4
MOL_98	-7.92	Pocket3	-7.04319525	Pocket1
MOL_96	-7.85	Pocket3	-6.52363157	Pocket1
MOL_20	-7.84	Pocket3	-7.26248741	Pocket1
MOL_25	-7.81	Pocket3	-6.00495958	Pocket1
MOL_75	-7.79	Pocket3	-7.43517017	Pocket1
MOL_17	-7.78	Pocket3	-7.5655055	Pocket1
MOL_74	-7.73	Pocket1	-7.07844353	Pocket1
MOL_85	-7.67	Pocket3	-7.43871737	Pocket1
MOL_93	-7.63	Pocket3	-6.6941371	Pocket1
MOL_50	-7.62	Pocket1	-6.52328968	Pocket1
MOL_65	-7.6	Pocket3	-6.36585283	Pocket1
MOL_56	-7.59	Pocket1	-7.20812273	Pocket1
MOL_29	-7.59	Pocket1	-6.55757666	Pocket1
MOL_27	-7.56	Pocket1	-6.95940256	Pocket1
MOL_51	-7.54	Pocket1	-6.56707525	Pocket1
MOL_83	-7.52	Pocket3	-6.9916954	Pocket1
MOL_84	-7.51	Pocket1	-6.92647934	Pocket1
MOL_55	-7.5	Pocket3	-7.12970495	Pocket1
MOL_24	-7.46	Pocket3	-6.39283848	Pocket1
MOL_48	-7.46	Pocket1	-6.53721857	Pocket1
MOL_94	-7.46	Pocket3	-7.18106747	Pocket1
MOL_82	-7.45	Pocket3	-6.78035355	Pocket1
MOL_92	-7.45	Pocket1	-6.90264273	Pocket1
MOL_71	-7.43	Pocket3	-6.8022275	Pocket1
MOL_67	-7.43	Pocket3	-6.64389229	Pocket1
MOL_23	-7.4	Pocket1	-6.49821234	Pocket1
MOL_68	-7.39	Pocket1	-6.66713762	Pocket1
MOL_49	-7.39	Pocket3	-6.43673229	Pocket1
MOL_90	-7.37	Pocket3	-7.35338259	Pocket1
MOL_31	-7.36	Pocket1	-6.66078281	Pocket1
MOL_77	-7.36	Pocket1	-7.22965622	Pocket1
MOL_33	-7.32	Pocket3	-5.80387163	Pocket1
MOL_32	-7.32	Pocket3	-6.37183714	Pocket1
MOL_36	-7.29	Pocket1	-6.63987732	Pocket1
MOL_79	-7.26	Pocket3	-7.10455942	Pocket1
MOL_57	-7.25	Pocket1	-6.65790606	Pocket1
MOL_86	-7.25	Pocket3	-6.2096343	Pocket1
MOL_38	-7.21	Pocket1	-6.80337	Pocket1
MOL_54	-7.21	Pocket1	-6.84725714	Pocket1
MOL_59	-7.2	Pocket9	-6.12227249	Pocket1
MOL_81	-7.2	Pocket1	-6.74004555	Pocket1
MOL_58	-7.16	Pocket3	-6.11730766	Pocket1
MOL_64	-7.12	Pocket1	-6.87006521	Pocket1
MOL_87	-7.12	Pocket1	-6.80524969	Pocket1
MOL_66	-7.1	Pocket3	-6.69160461	Pocket1
MOL_26	-7.1	Pocket1	-6.22292709	Pocket2
MOL_72	-7.09	Pocket3	-6.72827673	Pocket1
MOL_69	-7.08	Pocket1	-6.47086763	Pocket1
MOL_70	-7.05	Pocket1	-6.78701973	Pocket1
MOL_53	-7.01	Pocket1	-6.52950096	Pocket4
MOL_63	-6.83	Pocket1	-6.22901344	Pocket1
MOL_88	-6.72	Pocket1	-6.41638756	Pocket1

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