[
  {
    "molid": "mol11657",
    "smiles": "Cc1cc(=O)oc2cc(O)c(CC(=O)O)cc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(=O)oc2cc(O)c(CC(=O)[O-])cc12",
        "std_free_energy": -8.70447063446045,
        "relative_population": 0.995207192073854
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(=O)oc2cc([O-])c(CC(=O)[O-])cc12",
        "std_free_energy": -3.5068395137786865,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.09,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]