[
  {
    "molid": "mol34587",
    "smiles": "c1ccc(CN2CCNCCNCCNCC2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(CN2CCNCCNCCNCC2)nc1",
        "std_free_energy": 0.06356916576623917,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(C[NH+]2CCNCCNCCNCC2)nc1",
        "std_free_energy": -8.25234603881836,
        "relative_population": 0.21668606560752784
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(CN2CCNCC[NH2+]CCNCC2)nc1",
        "std_free_energy": -8.880020141601562,
        "relative_population": 0.40590685275602073
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1ccc(CN2CCNCCNCC[NH2+]CC2)nc1",
        "std_free_energy": -8.761234283447266,
        "relative_population": 0.36044444823513394
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]