Binding free energies for the 7 selected compounds in complex with OMT, Mpro, and RdRp.

Energy component	Carpaine-OMT	Manghaslin-OMT	Nicotiflorin-OMT	Rutin-OMT	Manghaslin-Mpro	Nicotiflorin-Mpro	Dihydroxyursolic acid-RdRp
DELTA G gas	−27.5602	−54.9876	−21.8203	−38.1047	−48.4837	−39.3409	−36.8341
DELTA G solv	9.5982	16.7483	11.2943	13.6452	16.3827	14.8213	15.3823
DELTA total	−17.962	−38.2393	−10.526	−24.4595	−32.101	−24.5196	−21.4518