[
  {
    "molid": "mol33756",
    "smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1",
        "std_free_energy": -6.835663795471191,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)[N-]/N=C/c1ccc([N+](=O)[O-])o1",
        "std_free_energy": 1.172126054763794,
        "relative_population": 0.9902549888644837
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.27999973297119,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]