pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.62000000476837	QSARToolbox	3	2	NCC(=[OH+])Nc1ccc(Br)cc1C(=[OH+])c1cccc[nH+]1,[NH3+]CC(=[OH+])Nc1ccc(Br)cc1C(=[OH+])c1ccccn1,[NH3+]CC(=O)Nc1ccc(Br)cc1C(=[OH+])c1cccc[nH+]1,[NH3+]CC(=[OH+])Nc1ccc(Br)cc1C(=O)c1cccc[nH+]1	[NH3+]CC(=O)Nc1ccc(Br)cc1C(=O)c1cccc[nH+]1	mol35242	NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccn1