[
  {
    "molid": "mol33231",
    "smiles": "NC1CC(C(=O)O)NC(C(=O)O)C1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@H]1C[C@@H](C(=O)O)[NH2+][C@@H](C(=O)[O-])C1",
        "std_free_energy": -5.492920875549316,
        "relative_population": 0.9820231330912144
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "[NH3+][C@H]1C[C@@H](C(=O)O)[NH2+][C@@H](C(=O)O)C1",
        "std_free_energy": 6.007653713226318,
        "relative_population": 0.9999132011839806
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]