pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.84	Datawarrior	1	0	Cc1cc(-c2ccccc2)[nH+]n2ccnc12,Cc1cc(-c2ccccc2)nn2cc[nH+]c12	Cc1cc(-c2ccccc2)nn2ccnc12	mol14519	Cc1cc(-c2ccccc2)nn2ccnc12
4.8400002	OCHEM	1	0	Cc1cc(-c2ccccc2)[nH+]n2ccnc12,Cc1cc(-c2ccccc2)nn2cc[nH+]c12	Cc1cc(-c2ccccc2)nn2ccnc12	mol14519	Cc1cc(-c2ccccc2)nn2ccnc12
4.84000015258789	QSARToolbox	1	0	Cc1cc(-c2ccccc2)[nH+]n2ccnc12,Cc1cc(-c2ccccc2)nn2cc[nH+]c12	Cc1cc(-c2ccccc2)nn2ccnc12	mol14519	Cc1cc(-c2ccccc2)nn2ccnc12