[
  {
    "molid": "mol38013",
    "smiles": "c1ccc(-c2ccc3ccc4ccc(-c5ccccn5)nc4c3n2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2ccc3ccc4ccc(-c5ccccn5)nc4c3n2)nc1",
        "std_free_energy": -6.679859638214111,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-c2ccc3ccc4ccc(-c5cccc[nH+]5)nc4c3n2)nc1",
        "std_free_energy": -1.962998628616333,
        "relative_population": 0.6011488964379677
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(-c2ccc3ccc4ccc(-c5ccccn5)[nH+]c4c3n2)nc1",
        "std_free_energy": -1.5527441501617432,
        "relative_population": 0.39885110356203224
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.57999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]