[
  {
    "molid": "mol36523",
    "smiles": "CNC(=O)C1=C(C(=O)O)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)C1=C(C(=O)O)CC1",
        "std_free_energy": -3.0524563789367676,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC(=O)C1=C(C(=O)[O-])CC1",
        "std_free_energy": -10.1937894821167,
        "relative_population": 0.9999939439218801
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.65000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]