[
  {
    "molid": "mol32069",
    "smiles": "NC(Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)C(=O)[O-]",
        "std_free_energy": -9.28243350982666,
        "relative_population": 0.9997645635697925
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[C@H](Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)C(=O)[O-]",
        "std_free_energy": -7.988364219665527,
        "relative_population": 0.9890724378342246
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]