pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Datawarrior	1	0	CCC[NH2+]C1c2ccccc2C=Cc2ccccc21	CCCNC1c2ccccc2C=Cc2ccccc21	mol15543	CCCNC1c2ccccc2C=Cc2ccccc21
8.8999996	OCHEM	1	0	CCC[NH2+]C1c2ccccc2C=Cc2ccccc21	CCCNC1c2ccccc2C=Cc2ccccc21	mol15543	CCCNC1c2ccccc2C=Cc2ccccc21
8.89999961853027	QSARToolbox	1	0	CCC[NH2+]C1c2ccccc2C=Cc2ccccc21	CCCNC1c2ccccc2C=Cc2ccccc21	mol15543	CCCNC1c2ccccc2C=Cc2ccccc21