Fragment libraries were stored using Simplified Molecular Input Line Entry System (SMILES) strings. The fragments were prepared and curated using toolkits RDKIT version (2024.03.5) and MolVS version 0.1.1. , and standardization protocol described by Sánchez-Cruz et al. Fragments were selected if they had the elements C, N, O, H, B, F, S, Cl, Se, Br, and I. Fragments with multiple components were split retaining the largest component. Then, fragments were reionized and neutralized, and a canonical tautomer was generated. Finally, unique fragments were retained.