[
  {
    "molid": "mol7491",
    "smiles": "COc1ncncc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ncncc1C",
        "std_free_energy": -8.117761611938477,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1[nH+]cncc1C",
        "std_free_energy": 2.2678794860839844,
        "relative_population": 0.4594396703743629
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1nc[nH+]cc1C",
        "std_free_energy": 2.105280876159668,
        "relative_population": 0.5405603296256372
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.5699999332428,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]