[
  {
    "molid": "mol19571",
    "smiles": "CN(C)CC1=C(CN(C)C)C2c3ccccc3C1c1ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CC1=C(CN(C)C)[C@H]2c3ccccc3[C@@H]1c1ccccc12",
        "std_free_energy": -0.9221680164337158,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)CC1=C(C[NH+](C)C)[C@H]2c3ccccc3[C@@H]1c1ccccc12",
        "std_free_energy": -7.745912551879883,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]