[
  {
    "molid": "mol33900",
    "smiles": "CC(=O)c1c(O)cc(O)c(C(C)=O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1c(O)cc(O)c(C(C)=O)c1O",
        "std_free_energy": -3.1747539043426514,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1c(O)cc(O)c(C(C)=O)c1[O-]",
        "std_free_energy": -3.2411608695983887,
        "relative_population": 0.4320972379166468
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)c1c([O-])cc(O)c(C(C)=O)c1O",
        "std_free_energy": -3.5144600868225098,
        "relative_population": 0.5679025674967014
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]