[
  {
    "molid": "mol11680",
    "smiles": "O=C(O)C1(OC2(C(=O)O)CCCC2)CCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C1(OC2(C(=O)O)CCCC2)CCCC1",
        "std_free_energy": -0.8785586357116699,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C1(OC2(C(=O)O)CCCC2)CCCC1",
        "std_free_energy": -9.087571144104004,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C1(OC2(C(=O)[O-])CCCC2)CCCC1",
        "std_free_energy": -11.665583610534668,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]