[
  {
    "molid": "mol7474",
    "smiles": "CC(C)CCNc1ncccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CCNc1ncccn1",
        "std_free_energy": -7.313952445983887,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)CCNc1nccc[nH+]1",
        "std_free_energy": -1.7491636276245117,
        "relative_population": 0.48277990861927367
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)CC[NH2+]c1ncccn1",
        "std_free_energy": -1.8180712461471558,
        "relative_population": 0.5172200913807262
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]