pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	IUPAC digitized pKa	1	0	C[NH+](C)c1ccncc1Br,CN(C)c1cc[nH+]cc1Br	CN(C)c1ccncc1Br	mol3635	CN(C)c1ccncc1Br
6.53	IUPAC digitized pKa	1	0	C[NH+](C)c1ccncc1Br,CN(C)c1cc[nH+]cc1Br	CN(C)c1ccncc1Br	mol3635	CN(C)c1ccncc1Br
6.29	IUPAC digitized pKa	1	0	C[NH+](C)c1ccncc1Br,CN(C)c1cc[nH+]cc1Br	CN(C)c1ccncc1Br	mol3635	CN(C)c1ccncc1Br