pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	Datawarrior	0	-1	NC(=O)c1ccc(N)cc1O	NC(=O)c1ccc(N)cc1[O-]	mol14155	NC(=O)c1ccc(N)cc1O
9.1199999	OCHEM	0	-1	NC(=O)c1ccc(N)cc1O	NC(=O)c1ccc(N)cc1[O-]	mol14155	NC(=O)c1ccc(N)cc1O
9.10999965667725	QSARToolbox	0	-1	NC(=O)c1ccc(N)cc1O	NC(=O)c1ccc(N)cc1[O-]	mol14155	NC(=O)c1ccc(N)cc1O
9.11	AttenGpKa training set	0	-1	NC(=O)c1ccc(N)cc1O	NC(=O)c1ccc(N)cc1[O-]	mol14155	NC(=O)c1ccc(N)cc1O