[
  {
    "molid": "mol19563",
    "smiles": "CNCC1CC2c3ccccc3C1c1ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC[C@@H]1C[C@H]2c3ccccc3[C@@H]1c1ccccc12",
        "std_free_energy": -0.9209737777709961,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]C[C@@H]1C[C@H]2c3ccccc3[C@@H]1c1ccccc12",
        "std_free_energy": -8.96768856048584,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]