pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Datawarrior	1	0	[NH3+]c1cc(/C=C/c2ccccc2)nc2ccccc12,Nc1cc(/C=C/c2ccccc2)[nH+]c2ccccc12	Nc1cc(/C=C/c2ccccc2)nc2ccccc12	mol15527	Nc1cc(/C=C/c2ccccc2)nc2ccccc12
9.30000019073486	QSARToolbox	1	0	[NH3+]c1cc(/C=C/c2ccccc2)nc2ccccc12,Nc1cc(/C=C/c2ccccc2)[nH+]c2ccccc12	Nc1cc(/C=C/c2ccccc2)nc2ccccc12	mol15527	Nc1cc(/C=C/c2ccccc2)nc2ccccc12