The compound with the SMILES Nc1ccc2ncc(N)c(N)c2n1 has a cavity formation energy at the PBE level of theory of 4.774 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}.