pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.24	Datawarrior	1	0	O[C@@H](c1cc[nH+]cc1)n1ccnc1,O[C@@H](c1ccncc1)n1cc[nH+]c1	O[C@@H](c1ccncc1)n1ccnc1	mol13838	OC(c1ccncc1)n1ccnc1
7.2399998	OCHEM	1	0	O[C@@H](c1cc[nH+]cc1)n1ccnc1,O[C@@H](c1ccncc1)n1cc[nH+]c1	O[C@@H](c1ccncc1)n1ccnc1	mol13838	OC(c1ccncc1)n1ccnc1
7.23999977111816	QSARToolbox	1	0	O[C@@H](c1cc[nH+]cc1)n1ccnc1,O[C@@H](c1ccncc1)n1cc[nH+]c1	O[C@@H](c1ccncc1)n1ccnc1	mol13838	OC(c1ccncc1)n1ccnc1