[
  {
    "molid": "mol18096",
    "smiles": "CNC(=O)CNC(=O)c1nccc(O)c1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CNC(=O)CNC(=O)c1nccc(O)c1O",
        "std_free_energy": -6.674102306365967,
        "relative_population": 0.9999733131939543
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC(=O)CNC(=O)c1nccc(O)c1[O-]",
        "std_free_energy": -3.491715669631958,
        "relative_population": 0.6344064405848205
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC(=O)CNC(=O)c1nccc([O-])c1O",
        "std_free_energy": -2.940251111984253,
        "relative_population": 0.36548500957253954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]