pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.04	Datawarrior	1	0	[NH3+]C[C@@H](O)c1ccc(Cl)cc1	NC[C@@H](O)c1ccc(Cl)cc1	mol14255	NCC(O)c1ccc(Cl)cc1
9.03999996185303	QSARToolbox	1	0	[NH3+]C[C@@H](O)c1ccc(Cl)cc1	NC[C@@H](O)c1ccc(Cl)cc1	mol14255	NCC(O)c1ccc(Cl)cc1