Normalized spacial scores of COCONUT compounds

This dataset provides a quantitative correlation between molecular structural complexity (nSPS) and the complete COCONUT (Collection of Open Natural Products) database. For each natural product entry, the size-normalized spacial score (nSPS) was calculated using RDKit, and the resulting values were merged with NPClassifier. Each natural product entry was further annotated with its corresponding pathway IDs found in the Kyoto Encyclopedia of Genes and Genomes (KEGG). COCONUT database was accessed 1 December 2025, KEGG database was accessed 18 January 2026.