pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.12	IUPAC digitized pKa	1	0	C[NH+](C)Cc1ccccn1	CN(C)Cc1ccccn1	mol1267	CN(C)Cc1ccccn1
8.11999988555908	QSARToolbox	1	0	C[NH+](C)Cc1ccccn1	CN(C)Cc1ccccn1	mol1267	CN(C)Cc1ccccn1
8.16	AttenGpKa training set	1	0	C[NH+](C)Cc1ccccn1	CN(C)Cc1ccccn1	mol1267	CN(C)Cc1ccccn1
2.58	IUPAC digitized pKa	2	1	C[NH+](C)Cc1cccc[nH+]1	C[NH+](C)Cc1ccccn1	mol1267	CN(C)Cc1ccccn1
2.57999992370605	QSARToolbox	2	1	C[NH+](C)Cc1cccc[nH+]1	C[NH+](C)Cc1ccccn1	mol1267	CN(C)Cc1ccccn1
2.64	AttenGpKa training set	2	1	C[NH+](C)Cc1cccc[nH+]1	C[NH+](C)Cc1ccccn1	mol1267	CN(C)Cc1ccccn1