We used the COCONUT database, which contains over 400,000 unique NPs from 52 different sources, including compounds from a wide variety of organisms, geographic locations and applications. We considered those natural products whose source organism was reported, as done in a previous study. Solvent exclusion, salt removal and charge neutralization were performed with the ChEMBL structure curation package. Compounds that failed this standardization step or have SMILES could not be parsed with RDKIT were removed. The resulting dataset included 129,869 unique natural products (Table ), divided into six sources: plant, fungi, bacteria, marine, animal and mixed (defined for cases where the same natural product is produced by multiple organisms). Each class was characterized by a different diversity in terms of percentage of atomic scaffolds, which was computed by dividing the number of unique Bemis Murcko 22 scaffolds by the total number of compounds in each class ( The distribution into classes (NP sources) is strongly skewed towards the plant class, encompassing 67.1% of total compounds, followed by fungi, bacteria, marine, mixed and animal (0.5%). In terms of compound diversity, there are four compounds per scaffold on average. The only outlier in this regard is the animal class, which has a much higher scaffold diversity rate (51.3%). This behavior might be related to the low number of NPs annotated for this class.