[
  {
    "molid": "mol28017",
    "smiles": "N=C(NC=O)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(NC=O)N[N+](=O)[O-]",
        "std_free_energy": -4.229714870452881,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])NC=O",
        "std_free_energy": -8.063356399536133,
        "relative_population": 0.9375264118055022
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[N-]=C(NC=O)N[N+](=O)[O-]",
        "std_free_energy": -5.339803218841553,
        "relative_population": 0.061540269512053054
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]