[
  {
    "molid": "mol32118",
    "smiles": "COc1cc2nc(N(C)C)cc(N)c2cc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2nc(N(C)C)cc(N)c2cc1OC",
        "std_free_energy": -2.7350664138793945,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2[nH+]c(N(C)C)cc(N)c2cc1OC",
        "std_free_energy": -9.520944595336914,
        "relative_population": 0.42666874549826855
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc2nc([NH+](C)C)cc(N)c2cc1OC",
        "std_free_energy": -8.818724632263184,
        "relative_population": 0.21140759023876907
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1cc2nc(N(C)C)cc([NH3+])c2cc1OC",
        "std_free_energy": -9.356369972229004,
        "relative_population": 0.3619236642629623
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]