[
  {
    "molid": "mol37031",
    "smiles": "Cn1cc[n+](CCCC(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc[n+](CCCC(=O)[O-])c1",
        "std_free_energy": -9.6253080368042,
        "relative_population": 0.9999980681206174
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cc[n+](CCCC(=O)O)c1",
        "std_free_energy": -3.8935580253601074,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.82999992370605,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.1100001335144,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]