pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.94	Datawarrior	1	0	[NH3+]CCCCOc1c2ccccc2cc2ccccc12	NCCCCOc1c2ccccc2cc2ccccc12	mol14694	NCCCCOc1c2ccccc2cc2ccccc12
9.9399996	OCHEM	1	0	[NH3+]CCCCOc1c2ccccc2cc2ccccc12	NCCCCOc1c2ccccc2cc2ccccc12	mol14694	NCCCCOc1c2ccccc2cc2ccccc12
9.9399995803833	QSARToolbox	1	0	[NH3+]CCCCOc1c2ccccc2cc2ccccc12	NCCCCOc1c2ccccc2cc2ccccc12	mol14694	NCCCCOc1c2ccccc2cc2ccccc12