The molecule with the SMILES representation of O=C1Nc2c(C(=O)O)cccc2C1=O has a nuclear repulsion energy at the PBE level of theory of 981.02801 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}.