[
  {
    "molid": "mol25507",
    "smiles": "Nc1ccn(-c2ccc([N+](=O)[O-])cc2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccn(-c2ccc([N+](=O)[O-])cc2)n1",
        "std_free_energy": -7.4790425300598145,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccn(-c2ccc([N+](=O)[O-])cc2)n1",
        "std_free_energy": 1.6984336376190186,
        "relative_population": 0.7032621649698211
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccn(-c2ccc([N+](=O)[O-])cc2)[nH+]1",
        "std_free_energy": 2.561314344406128,
        "relative_population": 0.2967378350301789
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.93,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]