pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Datawarrior	1	0	Nc1cc[nH+]c(-c2cccc(Cl)n2)c1,Nc1ccnc(-c2cccc(Cl)[nH+]2)c1,[NH3+]c1ccnc(-c2cccc(Cl)n2)c1	Nc1ccnc(-c2cccc(Cl)n2)c1	mol13463	Nc1ccnc(-c2cccc(Cl)n2)c1
7.6999998	OCHEM	1	0	Nc1cc[nH+]c(-c2cccc(Cl)n2)c1,Nc1ccnc(-c2cccc(Cl)[nH+]2)c1,[NH3+]c1ccnc(-c2cccc(Cl)n2)c1	Nc1ccnc(-c2cccc(Cl)n2)c1	mol13463	Nc1ccnc(-c2cccc(Cl)n2)c1
7.69999980926514	QSARToolbox	1	0	Nc1cc[nH+]c(-c2cccc(Cl)n2)c1,Nc1ccnc(-c2cccc(Cl)[nH+]2)c1,[NH3+]c1ccnc(-c2cccc(Cl)n2)c1	Nc1ccnc(-c2cccc(Cl)n2)c1	mol13463	Nc1ccnc(-c2cccc(Cl)n2)c1