pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.31	Datawarrior	0	-1	O=C(N/N=C/c1ccccc1O)c1ccncc1	O=C([N-]/N=C/c1ccccc1O)c1ccncc1,O=C(N/N=C/c1ccccc1[O-])c1ccncc1	mol14977	O=C(N/N=C/c1ccccc1O)c1ccncc1
3.33	Datawarrior	1	0	O=C(N/N=C/c1ccccc1O)c1cc[nH+]cc1,O=C(N/[NH+]=C/c1ccccc1O)c1ccncc1	O=C(N/N=C/c1ccccc1O)c1ccncc1	mol14977	O=C(N/N=C/c1ccccc1O)c1ccncc1
3.32999992370605	QSARToolbox	1	0	O=C(N/N=C/c1ccccc1O)c1cc[nH+]cc1,O=C(N/[NH+]=C/c1ccccc1O)c1ccncc1	O=C(N/N=C/c1ccccc1O)c1ccncc1	mol14977	O=C(N/N=C/c1ccccc1O)c1ccncc1
11.26	Datawarrior	-1	-2	O=C([N-]/N=C/c1ccccc1O)c1ccncc1,O=C(N/N=C/c1ccccc1[O-])c1ccncc1	O=C([N-]/N=C/c1ccccc1[O-])c1ccncc1	mol14977	O=C(N/N=C/c1ccccc1O)c1ccncc1