[
  {
    "molid": "mol23014",
    "smiles": "COC(=O)c1cc(Cl)c(O)c(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1cc(Cl)c(O)c(C(=O)O)c1",
        "std_free_energy": -0.1982799470424652,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1cc(Cl)c(O)c(C(=O)[O-])c1",
        "std_free_energy": -9.75121784210205,
        "relative_population": 0.9839362504534968
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COC(=O)c1cc(Cl)c([O-])c(C(=O)[O-])c1",
        "std_free_energy": -4.71131706237793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.3900003433228,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.39,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]