pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.81	AttenGpKa training set	-1	-2	CCCC(=N\[O-])/C(CCC)=N/O	CCCC(=N\[O-])/C(CCC)=N/[O-]	mol31578	CCCC(=N\O)/C(CCC)=N/O
