[
  {
    "molid": "mol38573",
    "smiles": "Cc1ncc(CO)c(CNC(C(=O)O)C(C)C)c1O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1[nH+]cc(CO)c(CN[C@@H](C(=O)[O-])C(C)C)c1O",
        "std_free_energy": -8.406424522399902,
        "relative_population": 0.05018131002794962
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "Cc1ncc(CO)c(C[NH2+][C@@H](C(=O)[O-])C(C)C)c1O",
        "std_free_energy": -11.340533256530762,
        "relative_population": 0.943646269399901
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "Cc1[nH+]cc(CO)c(C[NH2+][C@@H](C(=O)[O-])C(C)C)c1O",
        "std_free_energy": -5.211870193481445,
        "relative_population": 0.947152007092711
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]