[
  {
    "molid": "mol25923",
    "smiles": "Clc1ccc(-c2nnn[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(-c2nnn[nH]2)cc1",
        "std_free_energy": -3.297482490539551,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc(-c2[nH]nn[nH+]2)cc1",
        "std_free_energy": 9.985695838928223,
        "relative_population": 0.8245044420109476
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Clc1ccc(-c2n[nH+]n[nH]2)cc1",
        "std_free_energy": 11.575596809387207,
        "relative_population": 0.1681542241257894
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]