pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.69	Datawarrior	1	0	Cc1ccc([NH+]2CCCC2)cc1	Cc1ccc(N2CCCC2)cc1	mol1311	Cc1ccc(N2CCCC2)cc1
4.6900001	OCHEM	1	0	Cc1ccc([NH+]2CCCC2)cc1	Cc1ccc(N2CCCC2)cc1	mol1311	Cc1ccc(N2CCCC2)cc1
4.7	Hunt	1	0	Cc1ccc([NH+]2CCCC2)cc1	Cc1ccc(N2CCCC2)cc1	mol1311	Cc1ccc(N2CCCC2)cc1