[
  {
    "molid": "mol32790",
    "smiles": "CCc1cc(N=Nc2ccc(N(C)C)cc2)ccc1C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cc(N=Nc2ccc([NH+](C)C)cc2)ccc1C",
        "std_free_energy": 0.9431309103965759,
        "relative_population": 0.903485648714456
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1cc(N=[NH+]c2ccc(N(C)C)cc2)ccc1C",
        "std_free_energy": 3.179699420928955,
        "relative_population": 0.09651435128554399
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CCc1cc([NH+]=[NH+]c2ccc(N(C)C)cc2)ccc1C",
        "std_free_energy": 8.343511581420898,
        "relative_population": 0.9773581739144963
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5899999,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.58999991416931,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]