[
  {
    "molid": "mol38602",
    "smiles": "Oc1ccc2c(c1)NNC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc2c(c1)NNC2",
        "std_free_energy": -5.367254734039307,
        "relative_population": 0.977954889168364
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc2c(c1)NNC2",
        "std_free_energy": 2.3825550079345703,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]