pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Datawarrior	1	0	c1ccc2c3c([nH]c2c1)C[NH2+]CC3	c1ccc2c3c([nH]c2c1)CNCC3	mol13972	c1ccc2c3c([nH]c2c1)CNCC3
8.3999996	OCHEM	1	0	c1ccc2c3c([nH]c2c1)C[NH2+]CC3	c1ccc2c3c([nH]c2c1)CNCC3	mol13972	c1ccc2c3c([nH]c2c1)CNCC3