[
  {
    "molid": "mol19025",
    "smiles": "Cc1cccc(C)c1CNc1ccnc2c1nc(C)n2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C)c1CNc1ccnc2c1nc(C)n2C",
        "std_free_energy": -5.870229721069336,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1CNc1cc[nH+]c2c1nc(C)n2C",
        "std_free_energy": -5.546343803405762,
        "relative_population": 0.5038255763906253
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1CNc1ccnc2c1[nH+]c(C)n2C",
        "std_free_energy": -4.956852436065674,
        "relative_population": 0.2794263529708995
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1C[NH2+]c1ccnc2c1nc(C)n2C",
        "std_free_energy": -4.702849388122559,
        "relative_population": 0.21674807063847526
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.81,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]