[
  {
    "molid": "mol19623",
    "smiles": "COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccccc1N1CCN(CCCN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1",
        "std_free_energy": -5.278558254241943,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccccc1N1CCN(CCCN2C(=O)[N-][C@@]3(CCCc4ccccc43)C2=O)CC1",
        "std_free_energy": 2.8454864025115967,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]