[
  {
    "molid": "mol32074",
    "smiles": "NC(Cc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O",
        "std_free_energy": -4.094731330871582,
        "relative_population": 0.05248103065924551
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -6.987426280975342,
        "relative_population": 0.9468557264942206
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+][C@H](Cc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -10.646138191223145,
        "relative_population": 0.9850797250544664
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]