[
  {
    "molid": "mol14322",
    "smiles": "CC(C)CNCC(=O)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CNCC(=O)c1ccc(O)cc1",
        "std_free_energy": -3.6285641193389893,
        "relative_population": 0.4969268828177959
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)C[NH2+]CC(=O)c1ccc([O-])cc1",
        "std_free_energy": -3.6408567428588867,
        "relative_population": 0.5030731171822039
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)CNCC(=O)c1ccc([O-])cc1",
        "std_free_energy": 2.4530460834503174,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.7399998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]