[
  {
    "molid": "mol37028",
    "smiles": "Cc1c(O)c(C=O)c(CO)c[n+]1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c([O-])c(C=O)c(CO)c[n+]1C",
        "std_free_energy": -5.686344146728516,
        "relative_population": 0.9991538031146837
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(O)c(C=O)c(CO)c[n+]1C",
        "std_free_energy": -0.6835905313491821,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]