[
  {
    "molid": "mol10488",
    "smiles": "O=C(O)c1cccc(Cl)c1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cccc(Cl)c1C(=O)O",
        "std_free_energy": 0.12103001773357391,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cccc(Cl)c1C(=O)O",
        "std_free_energy": -8.775015830993652,
        "relative_population": 0.3007973247948431
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)c1cccc(Cl)c1C(=O)[O-]",
        "std_free_energy": -9.61851978302002,
        "relative_population": 0.6992026752051569
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cccc(Cl)c1C(=O)[O-]",
        "std_free_energy": -13.748279571533203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.49,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.48999977111816,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]