[
  {
    "molid": "mol11909",
    "smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1",
        "std_free_energy": -6.118898868560791,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1",
        "std_free_energy": 2.4754481315612793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]