[
  {
    "molid": "mol14144",
    "smiles": "CCc1c(C)nnc(C)c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1c(C)nnc(C)c1C",
        "std_free_energy": -5.039314270019531,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1c(C)[nH+]nc(C)c1C",
        "std_free_energy": -1.4342234134674072,
        "relative_population": 0.4874747677051034
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1c(C)n[nH+]c(C)c1C",
        "std_free_energy": -1.4843348264694214,
        "relative_population": 0.5125252322948965
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.1700001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.17000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]