[
  {
    "molid": "mol16317",
    "smiles": "CC(CN)c1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](C[NH3+])c1ccc(O)c([O-])c1",
        "std_free_energy": -3.9704031944274902,
        "relative_population": 0.4442339813445661
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H](CN)c1ccc(O)c(O)c1",
        "std_free_energy": -2.881741523742676,
        "relative_population": 0.14955881666217316
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[C@H](C[NH3+])c1ccc([O-])c(O)c1",
        "std_free_energy": -3.8809151649475098,
        "relative_population": 0.4062072019932607
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](CN)c1ccc([O-])c(O)c1",
        "std_free_energy": 5.1039605140686035,
        "relative_population": 0.514190364552009
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@H](CN)c1ccc(O)c([O-])c1",
        "std_free_energy": 5.267564296722412,
        "relative_population": 0.43658791908282385
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]