[
  {
    "molid": "mol2188",
    "smiles": "Cc1nc(C(=O)O)c(C)o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(C(=O)O)c(C)o1",
        "std_free_energy": -4.545265197753906,
        "relative_population": 0.9941905752162766
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(C(=O)[O-])c(C)o1",
        "std_free_energy": -9.510208129882812,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.17,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]