[
  {
    "molid": "mol32628",
    "smiles": "CC(O)C(CCC=O)OC1OC(C)C(N(C)C)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](O)[C@@H](CCC=O)O[C@H]1O[C@@H](C)[C@@H](N(C)C)[C@H](O)[C@@H]1O",
        "std_free_energy": -5.742785453796387,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H](O)[C@@H](CCC=O)O[C@H]1O[C@@H](C)[C@@H]([NH+](C)C)[C@H](O)[C@@H]1O",
        "std_free_energy": -6.672839641571045,
        "relative_population": 0.9381138133211836
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]