[
  {
    "molid": "mol34597",
    "smiles": "c1cc2cc(c1)CNCCNCCNCCNCCNC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2cc(c1)CNCCNCCNCCNCCNC2",
        "std_free_energy": -0.7645493745803833,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2cc(c1)CNCC[NH2+]CCNCCNCCNC2",
        "std_free_energy": -7.472170829772949,
        "relative_population": 0.32782085712827796
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cc2cc(c1)CNCCNCC[NH2+]CCNCCNC2",
        "std_free_energy": -7.4912519454956055,
        "relative_population": 0.3341361042114907
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1cc2cc(c1)C[NH2+]CCNCCNCCNCCNC2",
        "std_free_energy": -7.5028767585754395,
        "relative_population": 0.33804303866023117
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9700002670288,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]