[
  {
    "molid": "mol11662",
    "smiles": "CC(=CC(=O)O)c1cc(C)cc(C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=CC(=O)O)c1cc(C)cc(C)c1O",
        "std_free_energy": -4.316933631896973,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=CC(=O)[O-])c1cc(C)cc(C)c1O",
        "std_free_energy": -9.889184951782227,
        "relative_population": 0.9999229508290592
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]