[
  {
    "molid": "mol36091",
    "smiles": "O=C(O)CCC(=O)Oc1ccc(C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCC(=O)Oc1ccc(C(=O)O)cc1",
        "std_free_energy": -2.3420937061309814,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)CCC(=O)Oc1ccc(C(=O)[O-])cc1",
        "std_free_energy": -8.456548690795898,
        "relative_population": 0.6117471694961826
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CCC(=O)Oc1ccc(C(=O)O)cc1",
        "std_free_energy": -8.001886367797852,
        "relative_population": 0.3882528305038174
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]