[
  {
    "molid": "mol18314",
    "smiles": "Nc1c2ccccc2nc2c(C(=O)NCCN3CCCCC3)cccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1c2ccccc2nc2c(C(=O)NCCN3CCCCC3)cccc12",
        "std_free_energy": -3.9150054454803467,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1c2ccccc2nc2c(C(=O)NCC[NH+]3CCCCC3)cccc12",
        "std_free_energy": -8.346295356750488,
        "relative_population": 0.43114177221520367
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1c2ccccc2[nH+]c2c(C(=O)NCCN3CCCCC3)cccc12",
        "std_free_energy": -7.686842918395996,
        "relative_population": 0.22295825029296398
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1c2ccccc2nc2c(C(=O)NCCN3CCCCC3)cccc12",
        "std_free_energy": -8.126008033752441,
        "relative_population": 0.3458999774918324
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]