pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.3	Datawarrior	0	-1	Cc1nn(-c2ccccc2)c(O)c1C	Cc1nn(-c2ccccc2)c([O-])c1C	mol13399	Cc1nn(-c2ccccc2)c(O)c1C
7.38	AttenGpKa training set	0	-1	Cc1nn(-c2ccccc2)c(O)c1C	Cc1nn(-c2ccccc2)c([O-])c1C	mol13399	Cc1nn(-c2ccccc2)c(O)c1C
1.39	AttenGpKa training set	1	0	Cc1[nH+]n(-c2ccccc2)c(O)c1C	Cc1nn(-c2ccccc2)c(O)c1C	mol13399	Cc1nn(-c2ccccc2)c(O)c1C