[
  {
    "molid": "mol9610",
    "smiles": "O=C1C(O)=C(F)C(=O)C(O)=C1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C(O)=C(F)C(=O)C(O)=C1F",
        "std_free_energy": 0.840407133102417,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C(O)=C(F)C(=O)C([O-])=C1F",
        "std_free_energy": -5.896693706512451,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C([O-])=C(F)C(=O)C([O-])=C1F",
        "std_free_energy": 1.5524415969848633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.39999997615814,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]