[
  {
    "molid": "mol9376",
    "smiles": "O=c1[nH]cc(CO)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]cc(CO)c(=O)[nH]1",
        "std_free_energy": -6.848044395446777,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]cc(CO)c(=O)[nH]1",
        "std_free_energy": -1.5130183696746826,
        "relative_population": 0.6190504655388918
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c(CO)c[nH]1",
        "std_free_energy": -1.027498483657837,
        "relative_population": 0.38094953446110824
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.26500034332275,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]