[
  {
    "molid": "mol16678",
    "smiles": "O=C1OCCN1/N=C/c1cc(O)c([N+](=O)[O-])o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1OCCN1/N=C/c1cc(O)c([N+](=O)[O-])o1",
        "std_free_energy": -2.796252727508545,
        "relative_population": 0.9999906866249644
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1OCCN1/N=C/c1cc([O-])c([N+](=O)[O-])o1",
        "std_free_energy": -6.938998222351074,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]