[
  {
    "molid": "mol38619",
    "smiles": "CCCOC(=O)c1cc(O)c(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCOC(=O)c1cc(O)c(O)c(O)c1",
        "std_free_energy": -5.261640548706055,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCOC(=O)c1cc(O)c([O-])c(O)c1",
        "std_free_energy": -2.586270809173584,
        "relative_population": 0.6509949177474684
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCOC(=O)c1cc([O-])c(O)c(O)c1",
        "std_free_energy": -1.9628554582595825,
        "relative_population": 0.3490050822525315
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10999965667725,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]