The molecule with the SMILES representation of O=S(=O)(O)C1=CC2=CC=CNC2=C(S(=O)(=O)O)N1 has a nuclear repulsion energy at the PBE level of theory of 781.33963 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {nuclearRepulsionEnergy__names__noun} of {nuclearRepulsionEnergy#} {nuclearRepulsionEnergy__units}.