[
  {
    "molid": "mol13281",
    "smiles": "CCCCCNCc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCNCc1ccccc1O",
        "std_free_energy": -2.547650098800659,
        "relative_population": 0.1327678105895833
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCC[NH2+]Cc1ccccc1[O-]",
        "std_free_energy": -4.4243550300598145,
        "relative_population": 0.8672321894104168
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCC[NH2+]Cc1ccccc1O",
        "std_free_energy": -9.410634994506836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6499996,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]