[
  {
    "molid": "mol26690",
    "smiles": "Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12",
        "std_free_energy": -5.030117511749268,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1c2ccccc2nc2cc([N+](=O)[O-])ccc12",
        "std_free_energy": -7.521587371826172,
        "relative_population": 0.43780166918156005
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1c2ccccc2[nH+]c2cc([N+](=O)[O-])ccc12",
        "std_free_energy": -7.771676063537598,
        "relative_population": 0.56219833081844
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]