[
  {
    "molid": "mol7185",
    "smiles": "CCCCNc1cc(C)nc(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNc1cc(C)nc(C)n1",
        "std_free_energy": -4.209682464599609,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCNc1cc(C)nc(C)[nH+]1",
        "std_free_energy": -5.13328742980957,
        "relative_population": 0.21687202178283715
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCC[NH2+]c1cc(C)nc(C)n1",
        "std_free_energy": -5.776970386505127,
        "relative_population": 0.41281121209814253
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCCCNc1cc(C)[nH+]c(C)n1",
        "std_free_energy": -5.668338775634766,
        "relative_population": 0.37031676611902037
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.41,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]