[
  {
    "molid": "mol36080",
    "smiles": "CN(C)C(=O)c1cccc(-c2ccccc2O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C(=O)c1cccc(-c2ccccc2O)c1O",
        "std_free_energy": -5.455645561218262,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)C(=O)c1cccc(-c2ccccc2O)c1[O-]",
        "std_free_energy": -3.9203994274139404,
        "relative_population": 0.7161662712663855
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(C)C(=O)c1cccc(-c2ccccc2[O-])c1O",
        "std_free_energy": -2.99487566947937,
        "relative_population": 0.2838337287336144
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]