pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.17	IUPAC digitized pKa	1	0	C[NH2+]c1ncc(-c2ccc(Br)cc2)cn1,CNc1ncc(-c2ccc(Br)cc2)c[nH+]1	CNc1ncc(-c2ccc(Br)cc2)cn1	mol7178	CNc1ncc(-c2ccc(Br)cc2)cn1