[
  {
    "molid": "mol19624",
    "smiles": "O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1",
        "std_free_energy": -5.643669128417969,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-][C@@]2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1",
        "std_free_energy": 2.842292308807373,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]