[
  {
    "molid": "mol15250",
    "smiles": "CCC(C)(O)c1cnc(CC(C)C)c(O)[n+]1[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@](C)(O)c1cnc(CC(C)C)c(O)[n+]1[O-]",
        "std_free_energy": -4.027925491333008,
        "relative_population": 0.9987665477700679
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@](C)(O)c1cnc(CC(C)C)c([O-])[n+]1[O-]",
        "std_free_energy": -7.686362266540527,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]