[
  {
    "molid": "mol35438",
    "smiles": "CCCN(CCC)c1cccc(-c2cccc(N(CCC)CCC)n2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN(CCC)c1cccc(-c2cccc(N(CCC)CCC)n2)n1",
        "std_free_energy": -4.373337268829346,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCN(CCC)c1cccc(-c2cccc([NH+](CCC)CCC)n2)n1",
        "std_free_energy": -5.853848934173584,
        "relative_population": 0.757894917177775
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCN(CCC)c1cccc(-c2cccc(N(CCC)CCC)[nH+]2)n1",
        "std_free_energy": -4.712676048278809,
        "relative_population": 0.24210508282222495
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]