[
  {
    "molid": "mol32078",
    "smiles": "NC(Cc1c([N+](=O)[O-])ccc(O)c1[N+](=O)[O-])C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](Cc1c([N+](=O)[O-])ccc(O)c1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -6.8806657791137695,
        "relative_population": 0.9641091425585241
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH3+][C@@H](Cc1c([N+](=O)[O-])ccc([O-])c1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -10.645606994628906,
        "relative_population": 0.9785685045401203
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]