pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.51	Datawarrior	1	0	c1ccc(C[NH+]2CCCC2)cc1	c1ccc(CN2CCCC2)cc1	mol1299	c1ccc(CN2CCCC2)cc1
9.5100002	OCHEM	1	0	c1ccc(C[NH+]2CCCC2)cc1	c1ccc(CN2CCCC2)cc1	mol1299	c1ccc(CN2CCCC2)cc1
9.585	AttenGpKa training set	1	0	c1ccc(C[NH+]2CCCC2)cc1	c1ccc(CN2CCCC2)cc1	mol1299	c1ccc(CN2CCCC2)cc1