First the results from the 15922 molecules are given, of which Nirmatrelvir is not included because its score is less than 79. There are more than 15922 in the complete output, but a cutoff slightly higher than the largest score of the stereoisomeric completion of Nirmatrelvir was used to limit the analysis and post-processing of the total set. Figure gives the distributions of these molecules, in score differences between molecule/Mpro to molecule/CYP 3A4, the scores of molecule/Mpro, and the scores of molecule/CYP 3A4. The PLP score of 70.7 of Nirmatrelvir is on the border of the 1 st quantile (71.2) of the total set of 15922 stereoisomers. It's score 84.4 to CYP 3A4 is at the border of the 2 nd quantile of scores (84.9).