The molecule with the SMILES O=S(=O)(O)C1=NCN=C1 has a cavity formation energy at the PBE level of theory of 4.293 kT.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {cavityEnergy__names__noun} of {cavityEnergy#} {cavityEnergy__units}.