[
  {
    "molid": "mol25486",
    "smiles": "Nc1ccn(-c2ccc(Cl)cc2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccn(-c2ccc(Cl)cc2)n1",
        "std_free_energy": -7.211636066436768,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccn(-c2ccc(Cl)cc2)n1",
        "std_free_energy": 1.0655847787857056,
        "relative_population": 0.6581811523184702
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccn(-c2ccc(Cl)cc2)[nH+]1",
        "std_free_energy": 1.720784068107605,
        "relative_population": 0.34181884768152976
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.52,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]