[
  {
    "molid": "mol38431",
    "smiles": "O=C(O)[C@H]1CCNC[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])[C@H]1CC[NH2+]C[C@@H]1O",
        "std_free_energy": -11.916885375976562,
        "relative_population": 0.9999797492971618
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)[C@H]1CC[NH2+]C[C@@H]1O",
        "std_free_energy": -4.329230308532715,
        "relative_population": 0.9674840523759213
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.61999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]