[
  {
    "molid": "mol37325",
    "smiles": "O=C(O)[C@@H]1CNC[C@H](O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1C[NH2+]C[C@H](O)C1",
        "std_free_energy": -11.830208778381348,
        "relative_population": 0.9999657151738056
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(O)[C@@H]1C[NH2+]C[C@H](O)C1",
        "std_free_energy": -4.360988616943359,
        "relative_population": 0.9920453795177454
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.45000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]