pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.34	AttenGpKa training set	0	-1	CCO[C@](C)(O)N1C=NCC1,CCO[C@](C)([O-])N1C=[NH+]CC1	CCO[C@](C)([O-])N1C=NCC1	mol25889	CCOC(C)(O)N1C=NCC1