[
  {
    "molid": "mol22722",
    "smiles": "Nc1cc(C(=O)O)ccc1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1cc(C(=O)O)ccc1Cl",
        "std_free_energy": -4.570478439331055,
        "relative_population": 0.9556454059760541
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cc(C(=O)[O-])ccc1Cl",
        "std_free_energy": -9.765732765197754,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.115,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]