[
  {
    "molid": "mol9954",
    "smiles": "O=c1ccccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1ccccc(O)c1O",
        "std_free_energy": -5.084466934204102,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccccc([O-])c1O",
        "std_free_energy": -3.557521343231201,
        "relative_population": 0.5500356467985534
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1ccccc(O)c1[O-]",
        "std_free_energy": -3.3567066192626953,
        "relative_population": 0.44996435320144657
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1ccccc([O-])c1[O-]",
        "std_free_energy": 6.920886993408203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.7199998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 11.52,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]