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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	3CLpro/Mpro-MD	Pocket	PLP/Plpro-Trimer	Pocket
MOL_14	-9	Pocket1	-10.3709421	Pocket1
MOL_11	-8.93	Pocket1	-10.1184072	Pocket1
MOL_12	-8.65	Pocket1	-9.74409389	Pocket3
MOL_16	-8.46	Pocket1	-9.72722626	Pocket3
MOL_78	-8.27	Pocket1	-8.72921276	Pocket1
MOL_41	-8.18	Pocket1	-8.29947186	Pocket1
MOL_3	-7.87	Pocket1	-8.80185509	Pocket3
MOL_15	-7.82	Pocket1	-9.5186615	Pocket3
MOL_39	-7.79	Pocket1	-8.73234463	Pocket3
MOL_80	-7.77	Pocket1	-7.95243025	Pocket1
MOL_6	-7.74	Pocket1	-9.55391693	Pocket3
MOL_18	-7.7	Pocket4	-9.17680454	Pocket3
MOL_91	-7.65	Pocket1	-8.7493248	Pocket1
MOL_47	-7.62	Pocket1	-8.52217674	Pocket1
MOL_40	-7.61	Pocket1	-8.49219227	Pocket1
MOL_7	-7.58	Pocket1	-9.00579929	Pocket1
MOL_17	-7.57	Pocket1	-7.78111458	Pocket3
MOL_9	-7.56	Pocket7	-9.3261919	Pocket3
MOL_45	-7.56	Pocket1	-8.89906597	Pocket1
MOL_8	-7.54	Pocket1	-8.01453018	Pocket1
MOL_76	-7.51	Pocket1	-8.68232346	Pocket1
MOL_85	-7.44	Pocket1	-7.67356634	Pocket3
MOL_60	-7.44	Pocket1	-8.97784328	Pocket3
MOL_75	-7.44	Pocket1	-7.79288816	Pocket3
MOL_28	-7.43	Pocket1	-8.91122341	Pocket3
MOL_10	-7.38	Pocket1	-8.78444576	Pocket3
MOL_35	-7.38	Pocket1	-8.72708702	Pocket1
MOL_95	-7.36	Pocket1	-8.51780796	Pocket1
MOL_90	-7.35	Pocket1	-7.36520481	Pocket3
MOL_2	-7.34	Pocket1	-8.23332405	Pocket1
MOL_73	-7.32	Pocket1	-8.22607136	Pocket3
MOL_1	-7.31	Pocket1	-8.98946571	Pocket3
MOL_4	-7.29	Pocket1	-8.55578518	Pocket1
MOL_89	-7.27	Pocket1	-8.1807642	Pocket1
MOL_20	-7.26	Pocket1	-7.84226131	Pocket3
MOL_5	-7.25	Pocket1	-8.91312695	Pocket1
MOL_46	-7.24	Pocket1	-8.86005688	Pocket3
MOL_77	-7.23	Pocket1	-7.35954428	Pocket1
MOL_56	-7.21	Pocket1	-7.58862829	Pocket1
MOL_44	-7.19	Pocket1	-9.14892673	Pocket1
MOL_19	-7.19	Pocket1	-8.15416908	Pocket1
MOL_34	-7.19	Pocket1	-8.33266544	Pocket3
MOL_94	-7.18	Pocket1	-7.45956421	Pocket3
MOL_30	-7.18	Pocket1	-8.37653446	Pocket3
MOL_22	-7.17	Pocket1	-8.62858772	Pocket3
MOL_99	-7.14	Pocket1	-8.06517315	Pocket3
MOL_55	-7.13	Pocket1	-7.5047431	Pocket3
MOL_79	-7.1	Pocket1	-7.26196337	Pocket3
MOL_52	-7.1	Pocket4	-8.71865082	Pocket1
MOL_74	-7.08	Pocket1	-7.73351765	Pocket1
MOL_98	-7.04	Pocket1	-7.91739655	Pocket3
MOL_37	-7.03	Pocket2	-8.49958706	Pocket1
MOL_62	-7	Pocket1	-8.25910664	Pocket1
MOL_83	-6.99	Pocket1	-7.51771736	Pocket3
MOL_42	-6.98	Pocket1	-8.5808506	Pocket3
MOL_43	-6.97	Pocket1	-8.54319191	Pocket3
MOL_27	-6.96	Pocket1	-7.56258821	Pocket1
MOL_84	-6.93	Pocket1	-7.51311398	Pocket1
MOL_92	-6.9	Pocket1	-7.44812059	Pocket1
MOL_61	-6.88	Pocket4	-7.92433548	Pocket1
MOL_64	-6.87	Pocket1	-7.11929893	Pocket1
MOL_54	-6.85	Pocket1	-7.20878649	Pocket1
MOL_21	-6.83	Pocket4	-8.57436466	Pocket3
MOL_87	-6.81	Pocket1	-7.11614561	Pocket1
MOL_13	-6.8	Pocket1	-8.56700039	Pocket1
MOL_38	-6.8	Pocket1	-7.21487141	Pocket1
MOL_71	-6.8	Pocket1	-7.43483448	Pocket3
MOL_70	-6.79	Pocket1	-7.05190611	Pocket1
MOL_82	-6.78	Pocket1	-7.44957018	Pocket3
MOL_81	-6.74	Pocket1	-7.20266008	Pocket1
MOL_72	-6.73	Pocket1	-7.08858681	Pocket3
MOL_93	-6.69	Pocket1	-7.62869596	Pocket3
MOL_66	-6.69	Pocket1	-7.10292101	Pocket3
MOL_68	-6.67	Pocket1	-7.39210987	Pocket1
MOL_31	-6.66	Pocket1	-7.3626132	Pocket1
MOL_57	-6.66	Pocket1	-7.25376987	Pocket1
MOL_67	-6.64	Pocket1	-7.43082333	Pocket3
MOL_36	-6.64	Pocket1	-7.29286242	Pocket1
MOL_97	-6.57	Pocket1	-7.97644138	Pocket1
MOL_51	-6.57	Pocket1	-7.53780651	Pocket1
MOL_29	-6.56	Pocket1	-7.58697605	Pocket1
MOL_48	-6.54	Pocket1	-7.46187639	Pocket1
MOL_53	-6.53	Pocket4	-7.01213551	Pocket1
MOL_96	-6.52	Pocket1	-7.8464427	Pocket3
MOL_50	-6.52	Pocket1	-7.6194911	Pocket1
MOL_23	-6.5	Pocket1	-7.39738894	Pocket1
MOL_69	-6.47	Pocket1	-7.08407974	Pocket1
MOL_49	-6.44	Pocket1	-7.391325	Pocket3
MOL_88	-6.42	Pocket1	-6.7233181	Pocket1
MOL_24	-6.39	Pocket1	-7.46407843	Pocket3
MOL_32	-6.37	Pocket1	-7.32282209	Pocket3
MOL_65	-6.37	Pocket1	-7.60484505	Pocket3
MOL_63	-6.23	Pocket1	-6.82854939	Pocket1
MOL_26	-6.22	Pocket2	-7.10278893	Pocket1
MOL_86	-6.21	Pocket1	-7.24943018	Pocket3
MOL_59	-6.12	Pocket1	-7.20407057	Pocket9
MOL_58	-6.12	Pocket1	-7.1615696	Pocket3
MOL_25	-6	Pocket1	-7.81407642	Pocket3
MOL_33	-5.8	Pocket1	-7.32494116	Pocket3

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