[
  {
    "molid": "mol5803",
    "smiles": "CCNN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNN",
        "std_free_energy": -2.5160610675811768,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH2+]N",
        "std_free_energy": -5.825606822967529,
        "relative_population": 0.6521490441926011
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN[NH3+]",
        "std_free_energy": -5.197107791900635,
        "relative_population": 0.34785095580739894
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.99,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.95,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.9499998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.98999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]