[
  {
    "molid": "mol25741",
    "smiles": "Cc1nc(N)cc(Cl)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(N)cc(Cl)n1",
        "std_free_energy": -7.696630477905273,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(Cl)cc(N)[nH+]1",
        "std_free_energy": 1.07652747631073,
        "relative_population": 0.2841349343845799
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc(N)cc(Cl)[nH+]1",
        "std_free_energy": 0.5472620725631714,
        "relative_population": 0.4823715415231355
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc([NH3+])cc(Cl)n1",
        "std_free_energy": 1.272822380065918,
        "relative_population": 0.23349352409228472
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.79,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]