To further quantify chemical evolution in each system, we determine mole fractions and corresponding lifetimes for atomic species and small molecules (C, N, N 2 , N 3 , and C 2 N 2 ) observed in each of the 8 reactive simulations (i.e., with T > 300 K). A comprehensive overview of data is given in Supplementary Information Figures and. As shown in Figure , we once again find excellent agreement with DFT, consistent with the accuracy typical for an a-la-carte model. Species lifetimes are also in good agreement with DFT. Notably, the ChIMES simulations indicate a large spread in lifetimes for case-5 (1500 K, molecules and atomic species found in each case simulation, predicted by DFT and the Hierarchically learned ChIMES model. The whisker plot gives the maximum, minimum, and 1 st through 3 rd quartiles based on predictions from 8 independent ChIMES simulations at each case.