This dataset is the chemical reaction network (CRN) explored by the ReactionAtlas system described in the accompanying paper (see Related identifiers). Contents: 12,542 unique compounds (191 molecular formulas, C0–C4, charge −3 to +2); 33,659 potential-energy-surface minima (avg. 2.68 conformers per compound), plus per-compound conformer ensembles generated with CREST/GFN-xTB; 24,172 intramolecular (conformer-to-conformer) transition states within the per-compound PES graphs; and 47,987 elementary-reaction transition states collapsing to 21,150 unique reactions (by reactant–product identity). Each reaction includes the full ML reaction path — the transition state, both IRC relaxation trajectories, and the connected reactant/product minima — with ML energies, forces, and Hessians. Reactive TSs are refined at the PBE0/def2-TZVPP level: single-point electronic energies on the reactant, TS, and product geometries (via PySCF) yield in-box and separated DFT barriers, with D3(BJ) and D4 dispersion corrections layered on top. Where the ML-predicted TS is flagged invalid, a corrected PBE0/def2-TZVPP saddle point is re-optimised with frequency analysis (via ORCA) and its energy difference and RMSD to the ML geometry are recorded; a PBE0 Hessian on the transition state is provided for nearly all reactive TSs. Format PostgreSQL 15 database dump (plain SQL, gzip-compressed; ≈26 GB compressed, ≈70 GB restored). Restore with: createdb reaction_atlas gunzip -c reaction-atlas-*.sql.gz | psql -v ON_ERROR_STOP=1 -d reaction_atlas Geometry and Hessian columns are stored as serialized NumPy arrays in `bytea` columns (`numpy.save` for single arrays; `numpy.savez_compressed` for trajectories). A column-level schema reference and restore guide are at https://reactionatlas.bifold.berlin/downloads. The full network can be browsed at https://reactionatlas.bifold.berlin. The exploration and database code is at https://github.com/mx-e/reaction-atlas.