[
  {
    "molid": "mol36963",
    "smiles": "O=C(O)CN(CC(=O)O)Cc1cc(CO)ccc1O",
    "microspecies": [
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=C([O-])CN(CC(=O)[O-])Cc1cc(CO)ccc1[O-]",
        "std_free_energy": 1.8137054443359375,
        "relative_population": 0.9559018105446176
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])CN(CC(=O)[O-])Cc1cc(CO)ccc1O",
        "std_free_energy": -9.448974609375,
        "relative_population": 0.9712696915504055
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1999998092651,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]