[
  {
    "molid": "mol32488",
    "smiles": "C=C(C)C1CNC(C(=O)O)C1CC(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C=C(C)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)O",
        "std_free_energy": -9.325940132141113,
        "relative_population": 0.9701109500464348
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C=C(C)[C@@H]1C[NH2+][C@H](C(=O)O)[C@H]1CC(=O)O",
        "std_free_energy": 1.7796210050582886,
        "relative_population": 0.9656409028638706
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C(C)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]",
        "std_free_energy": -14.419815063476562,
        "relative_population": 0.9998029017113275
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C=C(C)[C@@H]1CN[C@H](C(=O)[O-])[C@H]1CC(=O)[O-]",
        "std_free_energy": -6.205112457275391,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0899999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.21,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]