The 1,073 remaining molecules (Supplementary data file 2) were triaged in SeeSAR 24 as well as Flare , retaining 80+ compounds with a total TPSA below 100 Å 2 and 20+ compounds with a TPSA between 100 and moderate torsion issues as well as still acceptable clashes, having TPSAs below 100 Å 2 were also selected.