[
  {
    "molid": "mol34585",
    "smiles": "c1ccc(CN2CCNCCNCCNCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(CN2CCNCCNCCNCC2)cc1",
        "std_free_energy": -0.9901677370071411,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(C[NH+]2CCNCCNCCNCC2)cc1",
        "std_free_energy": -8.191129684448242,
        "relative_population": 0.19847291367719072
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(CN2CCNCCNCC[NH2+]CC2)cc1",
        "std_free_energy": -8.830888748168945,
        "relative_population": 0.3763094083367128
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1ccc(CN2CCNCC[NH2+]CCNCC2)cc1",
        "std_free_energy": -8.953078269958496,
        "relative_population": 0.4252176779860966
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]