[
  {
    "molid": "mol31680",
    "smiles": "O=[N+]([O-])c1ccc(O/N=C\\c2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(O/N=C\\c2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1",
        "std_free_energy": -2.33552622795105,
        "relative_population": 0.9998889679441091
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(O/N=C\\c2cc(Br)c([O-])c(Br)c2)c([N+](=O)[O-])c1",
        "std_free_energy": -7.0779829025268555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]