[
  {
    "molid": "mol19567",
    "smiles": "c1ccc2c(c1)C1c3ccccc3C2C2CNCC12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc2c(c1)[C@H]1c3ccccc3[C@@H]2[C@H]2CNC[C@H]12",
        "std_free_energy": -0.9645823240280151,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc2c(c1)[C@H]1c3ccccc3[C@@H]2[C@H]2C[NH2+]C[C@H]12",
        "std_free_energy": -8.832662582397461,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]