[
  {
    "molid": "mol9727",
    "smiles": "Cc1cc(C(=O)O)c[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C(=O)O)c[nH]1",
        "std_free_energy": -5.382991790771484,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C(=O)[O-])c[nH]1",
        "std_free_energy": -8.501736640930176,
        "relative_population": 0.9999999372695784
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.3499999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]