[
  {
    "molid": "mol5809",
    "smiles": "CNN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNN",
        "std_free_energy": -2.729703426361084,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN[NH3+]",
        "std_free_energy": -5.050559997558594,
        "relative_population": 0.4426377912920889
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]N",
        "std_free_energy": -5.2810235023498535,
        "relative_population": 0.5573622087079111
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.87,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.8699999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.86999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]