[
  {
    "molid": "mol29650",
    "smiles": "CC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1",
        "std_free_energy": -6.874842643737793,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1ccc(C(=O)[N-]n2cnnc2)cc1",
        "std_free_energy": 3.526834487915039,
        "relative_population": 0.9692127854650183
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]