pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.34	Datawarrior	0	-1	CN(C)c1ccc(/C=N/O)cc1	CN(C)c1ccc(/C=N/[O-])cc1	mol12617	CN(C)c1ccc(/C=N/O)cc1
11.5600004196167	QSARToolbox	0	-1	CN(C)c1ccc(/C=N/O)cc1	CN(C)c1ccc(/C=N/[O-])cc1	mol12617	CN(C)c1ccc(/C=N/O)cc1
11.4200000762939	QSARToolbox	0	-1	CN(C)c1ccc(/C=N/O)cc1	CN(C)c1ccc(/C=N/[O-])cc1	mol12617	CN(C)c1ccc(/C=N/O)cc1
11.38	AttenGpKa training set	0	-1	CN(C)c1ccc(/C=N/O)cc1	CN(C)c1ccc(/C=N/[O-])cc1	mol12617	CN(C)c1ccc(/C=N/O)cc1