[
  {
    "molid": "mol34789",
    "smiles": "CC(C(=O)O)N(CCN(C(C)C(=O)O)C(C)C(=O)O)C(C)C(=O)O",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H](C(=O)O)[NH+](CC[NH+]([C@@H](C)C(=O)[O-])[C@@H](C)C(=O)O)[C@@H](C)C(=O)O",
        "std_free_energy": 1.6004184484481812,
        "relative_population": 0.9756713129424202
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "C[C@H](C(=O)O)[NH+](CC[NH+]([C@@H](C)C(=O)O)[C@@H](C)C(=O)O)[C@@H](C)C(=O)O",
        "std_free_energy": 10.763784408569336,
        "relative_population": 0.9991733311139186
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.88999998569489,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]