[
  {
    "molid": "mol35225",
    "smiles": "NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+][C@@H](Cc1ccc(Oc2ccc([O-])cc2)cc1)C(=O)[O-]",
        "std_free_energy": -4.86674165725708,
        "relative_population": 0.2419534918182332
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)[O-]",
        "std_free_energy": -6.008436679840088,
        "relative_population": 0.7578159511883419
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@@H](Cc1ccc(Oc2ccc([O-])cc2)cc1)C(=O)[O-]",
        "std_free_energy": 3.078469753265381,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.6199998855591,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.55000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]