[
  {
    "molid": "mol24041",
    "smiles": "Nc1ccc(-c2ccc(N)cc2Cl)c(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(-c2ccc(N)cc2Cl)c(Cl)c1",
        "std_free_energy": -6.945465087890625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc(-c2ccc([NH3+])cc2Cl)c(Cl)c1",
        "std_free_energy": -0.9748656153678894,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]