[
  {
    "molid": "mol14145",
    "smiles": "NNCCCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNCCCc1ccccc1",
        "std_free_energy": -3.688230276107788,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]NCCCc1ccccc1",
        "std_free_energy": -4.573772430419922,
        "relative_population": 0.41656275907332163
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH2+]CCCc1ccccc1",
        "std_free_energy": -4.910672187805176,
        "relative_population": 0.5834372409266785
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.1999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]