[
  {
    "molid": "mol708",
    "smiles": "OCC(CO)(CO)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCC(CO)(CO)CO",
        "std_free_energy": -7.872919082641602,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]CC(CO)(CO)CO",
        "std_free_energy": 8.89419174194336,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]