[
  {
    "molid": "mol13976",
    "smiles": "C1OC1CN(CC1CO1)CC1CO1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1O[C@H]1CN(C[C@@H]1CO1)C[C@@H]1CO1",
        "std_free_energy": -6.808337211608887,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1O[C@H]1C[NH+](C[C@@H]1CO1)C[C@@H]1CO1",
        "std_free_energy": -2.768690586090088,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.01,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.0100002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]