pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Datawarrior	1	0	Nc1ccnc(-c2cc([NH3+])ccn2)c1,Nc1ccnc(-c2cc(N)cc[nH+]2)c1	Nc1ccnc(-c2cc(N)ccn2)c1	mol13361	Nc1ccnc(-c2cc(N)ccn2)c1
8.8000002	OCHEM	1	0	Nc1ccnc(-c2cc([NH3+])ccn2)c1,Nc1ccnc(-c2cc(N)cc[nH+]2)c1	Nc1ccnc(-c2cc(N)ccn2)c1	mol13361	Nc1ccnc(-c2cc(N)ccn2)c1
8.80000019073486	QSARToolbox	1	0	Nc1ccnc(-c2cc([NH3+])ccn2)c1,Nc1ccnc(-c2cc(N)cc[nH+]2)c1	Nc1ccnc(-c2cc(N)ccn2)c1	mol13361	Nc1ccnc(-c2cc(N)ccn2)c1