[
  {
    "molid": "mol32358",
    "smiles": "Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1",
        "std_free_energy": -6.461921691894531,
        "relative_population": 0.9999915413363895
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)c([NH+]=Nc2c(C)cc(O)cc2C)c(C)c1",
        "std_free_energy": 4.851139068603516,
        "relative_population": 0.4951072939189929
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc(C)c(N=[NH+]c2c(C)cc(O)cc2C)c(C)c1",
        "std_free_energy": 4.83319616317749,
        "relative_population": 0.5040711354605274
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc(C)c([NH+]=[NH+]c2c(C)cc(O)cc2C)c(C)c1",
        "std_free_energy": 11.189141273498535,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)c(N=Nc2c(C)cc([O-])cc2C)c(C)c1",
        "std_free_energy": -0.7875502109527588,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1000004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.10000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -1.3,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -1.29999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]