[
  {
    "molid": "mol15865",
    "smiles": "CCCCNN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNN",
        "std_free_energy": -3.1753852367401123,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCN[NH3+]",
        "std_free_energy": -4.5722126960754395,
        "relative_population": 0.3526689720523198
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCC[NH2+]N",
        "std_free_energy": -5.179540634155273,
        "relative_population": 0.6473310279476803
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.82,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.8200002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]