[
  {
    "molid": "mol28063",
    "smiles": "CN/C(=N\\c1c(C)cccc1C)N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN/C(=N\\c1c(C)cccc1C)N(C)C",
        "std_free_energy": -0.4568408727645874,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN/C(=[NH+]\\c1c(C)cccc1C)N(C)C",
        "std_free_energy": -10.471488952636719,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]