[
  {
    "molid": "mol29312",
    "smiles": "CCC(O)C(N)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[C@@H](O)[C@@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -12.284100532531738,
        "relative_population": 0.9999691731388539
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@@H](O)[C@@H](N)C(=O)[O-]",
        "std_free_energy": -6.519977569580078,
        "relative_population": 0.9999996839952628
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]