{"D2A-pKa":{"doi":"10.1021/jacs.5c02578","entries":8241,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Upstream version-specific terms apply; imported-version review pending","name":"D2A-pKa Solvation Dataset","provenance_label":"Compilation identified; original-publication mapping requires verification","provenance_level":1,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":8233,"year":2025},"DrugBank":{"doi":"10.1093/nar/gkx1037","entries":690,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Upstream version-specific terms apply; imported-version review pending","name":"DrugBank 5.0","provenance_label":"Compilation identified; original-publication mapping requires verification","provenance_level":1,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":690,"year":2018},"EX_CSV_enriched":{"doi":"Various (see individual DOI per entry)","entries":6835,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Upstream version-specific terms apply; imported-version review pending","name":"Extended Experimental pKa Collection (DOI-filtered subset)","provenance_label":"Inherited dataset/source label; DOI and row provenance require review","provenance_level":2,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":6835,"year":2020},"IUPAC_high_confidence_v2.3":{"doi":"10.5281/zenodo.7236452","entries":24211,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Official working copy: CC BY-NC 4.0; imported version correspondence pending","name":"IUPAC Digitized pKa Dataset (local import label v2.3; source version pending)","provenance_label":"Compilation identified; original-publication mapping requires verification","provenance_level":1,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":22589,"year":2024},"Leito_2025_non_aqueous":{"doi":"10.1515/pac-2024-0276","entries":9748,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Local upstream documentation: CC BY-NC 4.0; imported version review pending","name":"IUPAC Non-Aqueous pKa Dataset (Leito 2025)","provenance_label":"Compilation identified; original-publication mapping requires verification","provenance_level":1,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":9721,"year":2025},"PKAD-2":{"doi":"10.1142/S2737416523500230","entries":1620,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Upstream version-specific terms apply; imported-version review pending","name":"PKAD-2: Expanded Database of Experimental Protein pKa Values","provenance_label":"Protein source context available; original-publication mapping pending","provenance_level":0,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":1620,"year":2023},"PKAD-R":{"doi":"10.1142/s2737416525500164","entries":220,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Upstream version-specific terms apply; imported-version review pending","name":"PKAD-R: Experimentally Measured pKa Values of Ionizable Groups in Proteins","provenance_label":"Protein source context available; original-publication mapping pending","provenance_level":0,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":78,"year":2025},"pKaHub_combined":{"doi":"10.1021/acs.jcim.6c00107","entries":122351,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Dataset-specific upstream terms; pKaHub MIT license covers software only","name":"pKaHub Combined Database","provenance_label":"Inherited dataset/source label; DOI and row provenance require review","provenance_level":2,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":99257,"year":2026},"zenodo_prediction_calc_values":{"doi":"10.5281/zenodo.11225612","entries":83,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Upstream version-specific review pending","name":"zenodo_prediction_calc_values","provenance_label":"Inherited dataset/source label; DOI and row provenance require review","provenance_level":2,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":83,"year":null},"zenodo_prediction_ref_values":{"doi":"10.5281/zenodo.11225612","entries":83,"entry_count_unit":"original_source_compilation_rows_not_current_release","license":"Upstream version-specific review pending","name":"zenodo_prediction_ref_values","provenance_label":"Inherited dataset/source label; DOI and row provenance require review","provenance_level":2,"registry_status":"Inherited metadata; not independently validated original-publication provenance.","representative_count":83,"year":null}}