[
  {
    "molid": "mol9773",
    "smiles": "Cn1c(NO)cc(=O)n(C)c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(NO)cc(=O)n(C)c1=O",
        "std_free_energy": -7.593661308288574,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(N[O-])cc(=O)n(C)c1=O",
        "std_free_energy": 1.3498367071151733,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]