[
  {
    "molid": "mol35000",
    "smiles": "CC(C)(C(=O)O)C(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C(=O)O)C(CC(=O)O)CC(=O)O",
        "std_free_energy": -1.283450722694397,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C(=O)O)C(CC(=O)[O-])CC(=O)O",
        "std_free_energy": -7.454422950744629,
        "relative_population": 0.8220350870792528
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C(=O)[O-])C(CC(=O)O)CC(=O)O",
        "std_free_energy": -5.9242262840271,
        "relative_population": 0.17796491292074734
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.13000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]