The chemical with the SMILES O=S(=O)(O)c1ccc2ncc(S(=O)(=O)O)c(S(=O)(=O)O)c2n1 has a cavity formation energy at the PBE level of theory of 5.090 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}.