[
  {
    "molid": "mol32976",
    "smiles": "CCCC(CC)(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC(CC)(CC(=O)O)CC(=O)O",
        "std_free_energy": -2.4742767810821533,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC(CC)(CC(=O)[O-])CC(=O)O",
        "std_free_energy": -8.299554824829102,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCC(CC)(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -9.693441390991211,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.50999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]