[
  {
    "molid": "mol38008",
    "smiles": "c1cc2c(ccc3cc[nH]c32)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2c(ccc3cc[nH]c32)cn1",
        "std_free_energy": -5.995080947875977,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2ccc3c[nH+]ccc3c2[nH]1",
        "std_free_energy": -3.687953472137451,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.71000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.67999982833862,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]