pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.61	OCHEM	1	0	COc1ncc(-c2ccc(Br)cc2)c[nH+]1	COc1ncc(-c2ccc(Br)cc2)cn1	mol7177	COc1ncc(-c2ccc(Br)cc2)cn1
0.610000014305115	QSARToolbox	1	0	COc1ncc(-c2ccc(Br)cc2)c[nH+]1	COc1ncc(-c2ccc(Br)cc2)cn1	mol7177	COc1ncc(-c2ccc(Br)cc2)cn1