[
  {
    "molid": "mol33017",
    "smiles": "CCOC(=O)C(N)CCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@H]([NH3+])CCC(=O)[O-]",
        "std_free_energy": -7.146231174468994,
        "relative_population": 0.9855170024712687
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCOC(=O)[C@H]([NH3+])CCC(=O)O",
        "std_free_energy": -3.5075085163116455,
        "relative_population": 0.9916939867484565
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.846,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]