pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	Datawarrior	2	1	C[n+]1ccn(CCC[n+]2ccc(/C=N/O)cc2)c1	C[n+]1ccn(CCC[n+]2ccc(/C=N/[O-])cc2)c1	mol14915	C[n+]1ccn(CCC[n+]2ccc(/C=N/O)cc2)c1
8.0500002	OCHEM	2	1	C[n+]1ccn(CCC[n+]2ccc(/C=N/O)cc2)c1	C[n+]1ccn(CCC[n+]2ccc(/C=N/[O-])cc2)c1	mol14915	C[n+]1ccn(CCC[n+]2ccc(/C=N/O)cc2)c1
8.05000019073486	QSARToolbox	2	1	C[n+]1ccn(CCC[n+]2ccc(/C=N/O)cc2)c1	C[n+]1ccn(CCC[n+]2ccc(/C=N/[O-])cc2)c1	mol14915	C[n+]1ccn(CCC[n+]2ccc(/C=N/O)cc2)c1