[
  {
    "molid": "mol35951",
    "smiles": "[O-][n+]1c[nH]c2ncnc(NCc3ccccc3)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][n+]1c[nH]c2ncnc(NCc3ccccc3)c21",
        "std_free_energy": -7.100789546966553,
        "relative_population": 0.9999954715704137
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[n+]1c[nH]c2ncnc(NCc3ccccc3)c21",
        "std_free_energy": 2.058100461959839,
        "relative_population": 0.981109257753887
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0699999332428,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]