[
  {
    "molid": "mol36525",
    "smiles": "CNC(=O)C1=C(C(=O)O)CCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)C1=C(C(=O)O)CCCC1",
        "std_free_energy": -3.47379994392395,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC(=O)C1=C(C(=O)[O-])CCCC1",
        "std_free_energy": -9.74627685546875,
        "relative_population": 0.9999688865952785
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]