[
  {
    "molid": "mol29644",
    "smiles": "CC(C)(C)OC(=O)NCc1nc(=O)[nH]c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)OC(=O)NCc1nc(=O)[nH]c(=O)[nH]1",
        "std_free_energy": -5.725484848022461,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)OC(=O)NCc1nc(=O)[nH]c(=O)[n-]1",
        "std_free_energy": -3.4921841621398926,
        "relative_population": 0.2782328626808385
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)(C)OC(=O)NCc1nc(=O)[n-]c(=O)[nH]1",
        "std_free_energy": -4.439228057861328,
        "relative_population": 0.717305832534476
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]