[
  {
    "molid": "mol10096",
    "smiles": "Oc1cccc2cn[nH]c12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1cccc2cn[nH]c12",
        "std_free_energy": -6.626607894897461,
        "relative_population": 0.9999995142859816
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cccc2cn[nH]c12",
        "std_free_energy": -1.7292675971984863,
        "relative_population": 0.9966673174696028
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.6000004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.60000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]