[
  {
    "molid": "mol11428",
    "smiles": "CC(C)(C)CCN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(C)CC[NH+](CC(=O)[O-])CC(=O)O",
        "std_free_energy": -6.746954917907715,
        "relative_population": 0.9977706373446664
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)CC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -14.347929954528809,
        "relative_population": 0.9994115395837245
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(C)CCN(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -5.429368019104004,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.24,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]