The molecule with the SMILES representation of Nc1ccc2nnc(N)c(N)c2c1 has an aqueous phase molecular energy at the PBE level of theory of -642.95204 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has an {solutionEnergy__names__noun} of {solutionEnergy#} {solutionEnergy__units}.