pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Datawarrior	1	0	Nc1ccnc(-c2cc(Cl)cc[nH+]2)c1,[NH3+]c1ccnc(-c2cc(Cl)ccn2)c1,Nc1cc[nH+]c(-c2cc(Cl)ccn2)c1	Nc1ccnc(-c2cc(Cl)ccn2)c1	mol13464	Nc1ccnc(-c2cc(Cl)ccn2)c1
7.4000001	OCHEM	1	0	Nc1ccnc(-c2cc(Cl)cc[nH+]2)c1,[NH3+]c1ccnc(-c2cc(Cl)ccn2)c1,Nc1cc[nH+]c(-c2cc(Cl)ccn2)c1	Nc1ccnc(-c2cc(Cl)ccn2)c1	mol13464	Nc1ccnc(-c2cc(Cl)ccn2)c1
7.40000009536743	QSARToolbox	1	0	Nc1ccnc(-c2cc(Cl)cc[nH+]2)c1,[NH3+]c1ccnc(-c2cc(Cl)ccn2)c1,Nc1cc[nH+]c(-c2cc(Cl)ccn2)c1	Nc1ccnc(-c2cc(Cl)ccn2)c1	mol13464	Nc1ccnc(-c2cc(Cl)ccn2)c1