[
  {
    "molid": "mol38154",
    "smiles": "CC(C)(ON)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(ON)C(=O)O",
        "std_free_energy": -2.7101874351501465,
        "relative_population": 0.5734723840788588
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(O[NH3+])C(=O)[O-]",
        "std_free_energy": -2.4141547679901123,
        "relative_population": 0.4265276159211412
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(O[NH3+])C(=O)O",
        "std_free_energy": 3.364757537841797,
        "relative_population": 0.8963262814966302
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(ON)C(O)=[OH+]",
        "std_free_energy": 5.52181339263916,
        "relative_population": 0.10367371850336993
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.34999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]