[
  {
    "molid": "mol35551",
    "smiles": "Nc1c2[n+]([O-])cnc-2ncn1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1c2[n+]([O-])cnc-2ncn1Cc1ccccc1",
        "std_free_energy": -6.8251566886901855,
        "relative_population": 0.9999993533158211
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1c2[n+](O)cnc-2ncn1Cc1ccccc1",
        "std_free_energy": 3.531585931777954,
        "relative_population": 0.9598943236778462
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.40000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]