[
  {
    "molid": "mol35224",
    "smiles": "NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-]",
        "std_free_energy": -5.706960201263428,
        "relative_population": 0.10357910992324285
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@@H](Cc1ccc(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-]",
        "std_free_energy": -7.863409996032715,
        "relative_population": 0.8949657618211815
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@@H](Cc1ccc(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-]",
        "std_free_energy": -0.8356791734695435,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]