[
  {
    "molid": "mol36096",
    "smiles": "O=C(O)CCCCCCC(C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCCCCC[C@H](C(=O)O)c1ccccc1",
        "std_free_energy": -3.1688661575317383,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCCCCC[C@H](C(=O)O)c1ccccc1",
        "std_free_energy": -8.051677703857422,
        "relative_population": 0.28466006476704436
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)CCCCCC[C@H](C(=O)[O-])c1ccccc1",
        "std_free_energy": -8.973139762878418,
        "relative_population": 0.7153398698396574
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]