pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Datawarrior	1	0	Nc1ccnc(-c2cccc[nH+]2)c1,Nc1cc[nH+]c(-c2ccccn2)c1,[NH3+]c1ccnc(-c2ccccn2)c1	Nc1ccnc(-c2ccccn2)c1	mol13822	Nc1ccnc(-c2ccccn2)c1
8.1000004	OCHEM	1	0	Nc1ccnc(-c2cccc[nH+]2)c1,Nc1cc[nH+]c(-c2ccccn2)c1,[NH3+]c1ccnc(-c2ccccn2)c1	Nc1ccnc(-c2ccccn2)c1	mol13822	Nc1ccnc(-c2ccccn2)c1
8.10000038146973	QSARToolbox	1	0	Nc1ccnc(-c2cccc[nH+]2)c1,Nc1cc[nH+]c(-c2ccccn2)c1,[NH3+]c1ccnc(-c2ccccn2)c1	Nc1ccnc(-c2ccccn2)c1	mol13822	Nc1ccnc(-c2ccccn2)c1