[
  {
    "molid": "mol36125",
    "smiles": "O=C(O)CN(CC(=O)O)C1CCCC(N(CC(=O)O)CC(=O)O)C1",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C([O-])C[NH+](CC(=O)O)[C@@H]1CCC[C@@H]([NH+](CC(=O)O)CC(=O)O)C1",
        "std_free_energy": 0.1553875356912613,
        "relative_population": 0.9964592281308106
      },
      {
        "id": "2_4",
        "charge": 2,
        "smiles": "O=C(O)C[NH+](CC(=O)O)[C@@H]1CCC[C@@H]([NH+](CC(=O)O)CC(=O)O)C1",
        "std_free_energy": 11.767839431762695,
        "relative_population": 0.9989138675353332
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.76999998092651,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]