[
  {
    "molid": "mol33049",
    "smiles": "O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -2.2422397136688232,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.442611694335938,
        "relative_population": 0.8125341604863059
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -7.97605037689209,
        "relative_population": 0.18746583951369405
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -10.787982940673828,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.17000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.47,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.40000009536743,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]