pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.51	Datawarrior	1	0	Cn1[nH+]cc2ccccc21	Cn1ncc2ccccc21	mol13157	Cn1ncc2ccccc21
0.50999999	OCHEM	1	0	Cn1[nH+]cc2ccccc21	Cn1ncc2ccccc21	mol13157	Cn1ncc2ccccc21
0.509999990463257	QSARToolbox	1	0	Cn1[nH+]cc2ccccc21	Cn1ncc2ccccc21	mol13157	Cn1ncc2ccccc21
0.3	AttenGpKa training set	1	0	Cn1[nH+]cc2ccccc21	Cn1ncc2ccccc21	mol13157	Cn1ncc2ccccc21