[
  {
    "molid": "mol26695",
    "smiles": "Cc1nc2nc3ccccc3c(O)c2cc1Cl",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc2[nH+]c3ccccc3c(O)c2cc1Cl",
        "std_free_energy": 4.90415096282959,
        "relative_population": 0.4389088100238771
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+]c2nc3ccccc3c(O)c2cc1Cl",
        "std_free_energy": 4.659096717834473,
        "relative_population": 0.5607896694477286
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1[nH+]c2[nH+]c3ccccc3c(O)c2cc1Cl",
        "std_free_energy": 15.941627502441406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -5.41,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]