[
  {
    "molid": "mol2030",
    "smiles": "O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(O)c1ccccc1",
        "std_free_energy": -4.744419097900391,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N([O-])c1ccccc1",
        "std_free_energy": -4.317209243774414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]