[
  {
    "molid": "mol14709",
    "smiles": "CN(C)CCCCN1C=Nc2cccc3cccc1c23",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)CCCCN1C=[NH+]c2cccc3cccc1c23",
        "std_free_energy": -6.043181419372559,
        "relative_population": 0.07031831268607729
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)CCCCN1C=Nc2cccc3cccc1c23",
        "std_free_energy": -8.624991416931152,
        "relative_population": 0.9296816873139228
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)CCCCN1C=[NH+]c2cccc3cccc1c23",
        "std_free_energy": -6.169217109680176,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.3,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.3000002,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]