Table 5.

Docking score and energy of the compounds and 6C0V protein.

Compound	S	Rmsd_refine	E_conf	E_place	E_score1	E_refine	E_score2
10	−7.905	1.025	1.394	−75.559	−9.623	−18.183	−7.905
	−7.775	0.800	−2.839	−86.373	−9.463	−23.079	−7.775
	−7.645	1.608	−1.793	−49.818	−9.905	−22.728	−7.645
	−7.543	2.688	−0.888	−49.161	−10.039	−22.203	−7.543
	−7.414	2.085	−2.084	−58.509	−9.664	−17.422	−7.414
12	−7.373	1.741	−9.593	−47.854	−9.930	−12.378	−7.373
	−7.297	1.012	−5.187	−79.545	−9.838	−12.151	−7.297
	−7.243	0.885	−12.536	−67.845	−9.334	−6.729	−7.243
	−6.997	1.031	−17.548	−68.131	−9.505	−18.468	−6.997
	−6.652	1.332	−14.182	−84.596	−9.484	−10.754	−6.652
13	−7.947	1.486	36.845	−68.307	−11.132	5.557	−7.947
	−7.789	1.970	43.578	−54.778	−10.129	−8.370	−7.789
	−7.724	1.956	37.138	−72.143	−11.943	−6.981	−7.724
	−7.555	2.616	49.700	−61.442	−10.441	−3.158	−7.555
	−7.129	1.281	37.123	−80.267	−10.301	−1.612	−7.129
17	−9.222	2.289	48.015	−56.777	−11.020	−17.708	−9.222
	−8.637	2.336	37.203	−68.444	−11.376	−8.698	−8.637
	−8.545	2.083	50.419	−62.657	−11.611	−7.534	−8.545
	−8.371	2.000	48.119	−58.199	−11.726	−4.530	−8.371
	−8.057	1.413	48.004	−47.495	−10.832	−4.235	−8.057