pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.55	AttenGpKa training set	1	0	C[NH+]1CCc2c(c3ccccc3n2Cc2ccccc2)C1	CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1	mol29731	CN1CCC2=C(C1)c1ccccc1N2Cc1ccccc1
7.63	AttenGpKa training set	1	0	C[NH+]1CCc2c(c3ccccc3n2Cc2ccccc2)C1	CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1	mol29731	CN1CCC2=C(C1)c1ccccc1N2Cc1ccccc1