[
  {
    "molid": "mol11931",
    "smiles": "O=C1c2ccccc2C(=O)c2c1ccc(O)c2O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1c2ccccc2C(=O)c2c1ccc(O)c2O",
        "std_free_energy": -5.023207187652588,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O",
        "std_free_energy": -3.5358614921569824,
        "relative_population": 0.7250062919046849
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1c2ccccc2C(=O)c2c1ccc(O)c2[O-]",
        "std_free_energy": -2.566429376602173,
        "relative_population": 0.27499370809531504
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1c2ccccc2C(=O)c2c1ccc([O-])c2[O-]",
        "std_free_energy": 6.943835258483887,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.57000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]