[
  {
    "molid": "mol14361",
    "smiles": "CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCn1ccnc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCn1cc[nH+]c1",
        "std_free_energy": -5.085081100463867,
        "relative_population": 0.06524778721798988
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCC)CCn1ccnc1",
        "std_free_energy": -7.747170448303223,
        "relative_population": 0.9347522127820102
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCC)CCn1cc[nH+]c1",
        "std_free_energy": -1.598224401473999,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]