[
  {
    "molid": "mol21736",
    "smiles": "Nc1cc(Cl)cc(C(=O)O)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]c1cc(Cl)cc(C(=O)[O-])c1Cl",
        "std_free_energy": -1.3773841857910156,
        "relative_population": 0.11716307958918971
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1cc(Cl)cc(C(=O)O)c1Cl",
        "std_free_energy": -3.3969578742980957,
        "relative_population": 0.8828369204108102
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cc(Cl)cc(C(=O)[O-])c1Cl",
        "std_free_energy": -11.227149963378906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]