[
  {
    "molid": "mol37866",
    "smiles": "C[n+]1csc2cc(O)ccc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1csc2cc([O-])ccc21",
        "std_free_energy": -2.150263786315918,
        "relative_population": 0.9959416426887676
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1csc2cc(O)ccc21",
        "std_free_energy": -1.9171457290649414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.26999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]