[
  {
    "molid": "mol3719",
    "smiles": "OCc1ncccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCc1ncccc1O",
        "std_free_energy": -6.584404945373535,
        "relative_population": 0.9500483895453542
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCc1[nH+]cccc1O",
        "std_free_energy": -0.9918853044509888,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccnc1CO",
        "std_free_energy": -0.7601462602615356,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]