[
  {
    "molid": "mol26636",
    "smiles": "Cc1ccc2c(O)c3ccccc3nc2n1",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc2c(O)c3ccccc3[nH+]c2n1",
        "std_free_energy": 1.4005448818206787,
        "relative_population": 0.5080670923773014
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccc2c(O)c3ccccc3nc2[nH+]1",
        "std_free_energy": 1.4331995248794556,
        "relative_population": 0.49174430071873787
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1ccc2c(O)c3ccccc3[nH+]c2[nH+]1",
        "std_free_energy": 12.42187786102295,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.76,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]