UNPD-A Fragments from UNPD-A up to 1500 Da (Table ) obtained with RECAP. The 177 fragments of the final libraries were built, and their geometry was energy minimized using the MFF94x forcefield implemented on MOE 2022.02 (Figure ). Each minimized fragment was stored in an individual .mol2 file. The INDEX file of LigBuilder, to recognize the corresponding fragments for molecular construction, was modified for each of the libraries.