[
  {
    "molid": "mol9750",
    "smiles": "Cc1cc(C(=O)O)nn1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(C(=O)O)nn1C",
        "std_free_energy": -4.400521755218506,
        "relative_population": 0.9883008321786216
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C(=O)[O-])nn1C",
        "std_free_energy": -10.493597984313965,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]