[
  {
    "molid": "mol38092",
    "smiles": "Cn1c[n+](C)c2c([O-])ncnc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cn1c[n+](C)c2c([O-])ncnc21",
        "std_free_energy": -5.435471057891846,
        "relative_population": 0.9998186867025131
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c[n+](C)c2c(O)ncnc21",
        "std_free_energy": 3.988924980163574,
        "relative_population": 0.9996140570891877
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]