pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.15	AttenGpKa training set	1	0	Nc1c(CO)[nH+]nn1Cc1ccccc1,[NH3+]c1c(CO)nnn1Cc1ccccc1,Nc1c(CO)n[nH+]n1Cc1ccccc1	Nc1c(CO)nnn1Cc1ccccc1	mol25511	Nc1c(CO)nnn1Cc1ccccc1