[
  {
    "molid": "mol25300",
    "smiles": "C[n+]1cc[nH]c1/C=N\\O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1cc[n-]c1/C=N\\O",
        "std_free_energy": -2.902775764465332,
        "relative_population": 0.4694301778585324
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cc[nH]c1/C=N\\[O-]",
        "std_free_energy": -3.025207757949829,
        "relative_population": 0.5305698221414676
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cc[nH]c1/C=N\\O",
        "std_free_energy": -5.825046539306641,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]