[
  {
    "molid": "mol24133",
    "smiles": "CN(C)c1cccc2c1-c1c(cccc1N(C)C)COC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cccc2c1-c1c(cccc1N(C)C)COC2",
        "std_free_energy": -1.133149266242981,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1cccc2c1-c1c(cccc1[NH+](C)C)COC2",
        "std_free_energy": -9.797012329101562,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]