[
  {
    "molid": "mol26668",
    "smiles": "Nc1c2ccccc2nc2c(Cl)cccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1c2ccccc2nc2c(Cl)cccc12",
        "std_free_energy": -4.975342750549316,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1c2ccccc2[nH+]c2c(Cl)cccc12",
        "std_free_energy": -8.822443008422852,
        "relative_population": 0.596676904564331
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1c2ccccc2nc2c(Cl)cccc12",
        "std_free_energy": -8.430805206298828,
        "relative_population": 0.4033230954356689
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]