[
  {
    "molid": "mol25077",
    "smiles": "OCc1cncc(O)c1CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCc1cncc(O)c1CO",
        "std_free_energy": -5.876628398895264,
        "relative_population": 0.9576600210605295
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCc1c[nH+]cc(O)c1CO",
        "std_free_energy": -1.3016972541809082,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]