[
  {
    "molid": "mol28024",
    "smiles": "CN(N=O)C(=N)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(N=O)C(=N)N[N+](=O)[O-]",
        "std_free_energy": -4.1643571853637695,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(N=O)C(=[N-])N[N+](=O)[O-]",
        "std_free_energy": -8.633064270019531,
        "relative_population": 0.2444737862519519
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(N=O)C(=N)[N-][N+](=O)[O-]",
        "std_free_energy": -9.761370658874512,
        "relative_population": 0.7555262137480482
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]