pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.33	Datawarrior	1	0	Fc1cc2[nH+]c[nH]c2cc1Cl	Fc1cc2nc[nH]c2cc1Cl	mol13997	Fc1cc2nc[nH]c2cc1Cl
4.3299999	OCHEM	1	0	Fc1cc2[nH+]c[nH]c2cc1Cl	Fc1cc2nc[nH]c2cc1Cl	mol13997	Fc1cc2nc[nH]c2cc1Cl
4.32999992370606	QSARToolbox	1	0	Fc1cc2[nH+]c[nH]c2cc1Cl	Fc1cc2nc[nH]c2cc1Cl	mol13997	Fc1cc2nc[nH]c2cc1Cl