[
  {
    "molid": "mol32081",
    "smiles": "NC(Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])C(=O)[O-]",
        "std_free_energy": -10.669013977050781,
        "relative_population": 0.9774402909239419
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])C(=O)[O-]",
        "std_free_energy": -4.853054046630859,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]