[
  {
    "molid": "mol30848",
    "smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21",
        "std_free_energy": -5.363859176635742,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1c2cccc([O-])c2C(=O)c2c(O)cc(CO)cc21",
        "std_free_energy": -2.5602104663848877,
        "relative_population": 0.4866592021760262
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1c2cc(CO)cc([O-])c2C(=O)c2c(O)cccc21",
        "std_free_energy": -2.613503932952881,
        "relative_population": 0.5132985036936256
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]