[
  {
    "molid": "mol32083",
    "smiles": "NC(Cc1ccc([N+](=O)[O-])c(O)c1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1ccc([N+](=O)[O-])c(O)c1)C(=O)[O-]",
        "std_free_energy": -9.639972686767578,
        "relative_population": 0.9973967691231129
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+][C@H](Cc1ccc([N+](=O)[O-])c([O-])c1)C(=O)[O-]",
        "std_free_energy": -8.574812889099121,
        "relative_population": 0.8851311207998902
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "N[C@H](Cc1ccc([N+](=O)[O-])c(O)c1)C(=O)[O-]",
        "std_free_energy": -6.526244163513184,
        "relative_population": 0.11411047607896466
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]