pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.99	IUPAC digitized pKa	1	0	CN(C)c1cccc[nH+]1,C[NH+](C)c1ccccn1	CN(C)c1ccccn1	mol6473	CN(C)c1ccccn1
6.98	IUPAC digitized pKa	1	0	CN(C)c1cccc[nH+]1,C[NH+](C)c1ccccn1	CN(C)c1ccccn1	mol6473	CN(C)c1ccccn1
6.30000019073486	QSARToolbox	1	0	CN(C)c1cccc[nH+]1,C[NH+](C)c1ccccn1	CN(C)c1ccccn1	mol6473	CN(C)c1ccccn1
6.45	AttenGpKa training set	1	0	CN(C)c1cccc[nH+]1,C[NH+](C)c1ccccn1	CN(C)c1ccccn1	mol6473	CN(C)c1ccccn1