[
  {
    "molid": "mol19573",
    "smiles": "CN(C)C1C2c3ccccc3C(c3ccccc32)C1C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)[C@@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@H]1C(=O)[O-]",
        "std_free_energy": -10.946211814880371,
        "relative_population": 0.9998327358652304
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)[C@@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@H]1C(=O)[O-]",
        "std_free_energy": -5.017590522766113,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]