[
  {
    "molid": "mol34977",
    "smiles": "CCC(=Nc1ccccc1O)c1ccccc1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCC(=Nc1ccccc1O)c1ccccc1[O-]",
        "std_free_energy": 1.3323466777801514,
        "relative_population": 0.39086107080108456
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCC(=Nc1ccccc1[O-])c1ccccc1O",
        "std_free_energy": 0.8919717669487,
        "relative_population": 0.6071203794116294
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCC(=Nc1ccccc1[O-])c1ccccc1[O-]",
        "std_free_energy": 13.226821899414062,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.97999954223633,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]