[
  {
    "molid": "mol898",
    "smiles": "C[C@@H](O)CNCCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](O)CNCCO",
        "std_free_energy": -3.537987232208252,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](O)C[NH2+]CCO",
        "std_free_energy": -8.897436141967773,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]