[
  {
    "molid": "mol29849",
    "smiles": "CCc1nnc(NC(=O)C(C)c2ccc(CC(C)C)cc2)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1nnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1",
        "std_free_energy": -6.020441055297852,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1nnc([N-]C(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1",
        "std_free_energy": -3.906729221343994,
        "relative_population": 0.9996850056043797
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]