[
  {
    "molid": "mol26584",
    "smiles": "c1ccc2cc3ncncc3cc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc2cc3ncncc3cc2c1",
        "std_free_energy": -7.511595726013184,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc2cc3nc[nH+]cc3cc2c1",
        "std_free_energy": 1.314980387687683,
        "relative_population": 0.4204654550010446
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc2cc3[nH+]cncc3cc2c1",
        "std_free_energy": 0.9941174387931824,
        "relative_population": 0.5795345449989554
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]