[
  {
    "molid": "mol11656",
    "smiles": "CC(=O)c1c(O)ccc2c(C)cc(=O)oc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1c(O)ccc2c(C)cc(=O)oc12",
        "std_free_energy": -4.382428169250488,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1c([O-])ccc2c(C)cc(=O)oc12",
        "std_free_energy": -3.216097116470337,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.17,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.17000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]