[
  {
    "molid": "mol34611",
    "smiles": "COc1ccc(N(CC(=O)O)C(N)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(N(CC(=O)O)C(N)=O)cc1",
        "std_free_energy": -3.5158448219299316,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(N(CC(=O)[O-])C(N)=O)cc1",
        "std_free_energy": -11.039116859436035,
        "relative_population": 0.9999999927961626
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.77999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]