[
  {
    "molid": "mol28009",
    "smiles": "N=C(NN)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(NN)N[N+](=O)[O-]",
        "std_free_energy": -5.5649638175964355,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])NN",
        "std_free_energy": -6.275157451629639,
        "relative_population": 0.9556269126637764
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4700002670288,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.9799995422363,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]