[
  {
    "molid": "mol37302",
    "smiles": "O=C(O)CCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])CCC[NH2+]C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -10.04457950592041,
        "relative_population": 0.9984767935822283
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C([O-])CCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -5.6761980056762695,
        "relative_population": 0.999916243441045
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.93000030517578,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]