[
  {
    "molid": "mol26292",
    "smiles": "Cn1cc(C(=O)O)nc2c(=O)n(C)c(=O)nc1-2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc(C(=O)O)nc2c(=O)n(C)c(=O)nc1-2",
        "std_free_energy": -3.832324743270874,
        "relative_population": 0.9736654620937845
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1cc(C(=O)[O-])nc2c(=O)n(C)c(=O)nc1-2",
        "std_free_energy": -10.434154510498047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]