A key requirement of QFD is access to high-quality QM conformational libraries. Accordingly, a major contribution of this work is the introduction of a carefully curated, QM-based conformational library of natural products. This new library contains close to 30,000 natural products, each precomputed using quantum mechanical methods to identify low-energy conformations, with strain energies determined by an accurate DFT-D4 approach. These natural products were selected for their low predicted toxicity and, on average, are expected to be less toxic than the least toxic onethird of the approved drugs. Such a focus on minimizing toxicity is crucial for potential drug candidates that have not yet undergone rigorous multi-phase clinical trials.