The compound with the SMILES O=S(=O)(O)C1=CC(S(=O)(=O)O)=C2NC(S(=O)(=O)O)=C(S(=O)(=O)O)C=C2N1 has an aqueous phase molecular energy at the PBE level of theory of -815.23977 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}.