[
  {
    "molid": "mol26657",
    "smiles": "COc1cccc2c(N)c3ccccc3nc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc2c(N)c3ccccc3nc12",
        "std_free_energy": -3.392024040222168,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc2c([NH3+])c3ccccc3nc12",
        "std_free_energy": -10.84430980682373,
        "relative_population": 0.4667361692279248
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccc2c(N)c3ccccc3[nH+]c12",
        "std_free_energy": -10.977561950683594,
        "relative_population": 0.5332638307720752
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]