[
  {
    "molid": "mol35826",
    "smiles": "CCNCc1ccc2ccc3ccc(CNCC)nc3c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNCc1ccc2ccc3ccc(CNCC)nc3c2n1",
        "std_free_energy": -0.1087997704744339,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCNCc1ccc2ccc3ccc(CNCC)[nH+]c3c2n1",
        "std_free_energy": -5.3381452560424805,
        "relative_population": 0.09783077946516676
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCNCc1ccc2ccc3ccc(C[NH2+]CC)nc3c2n1",
        "std_free_energy": -7.559708118438721,
        "relative_population": 0.9021692205348333
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.84000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]