pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.37	IUPAC digitized pKa	1	0	CNc1cc(N(C)C)[nH+]cn1,CNc1cc(N(C)C)nc[nH+]1,C[NH2+]c1cc(N(C)C)ncn1,CNc1cc([NH+](C)C)ncn1	CNc1cc(N(C)C)ncn1	mol4185	CNc1cc(N(C)C)ncn1
6.39	AttenGpKa training set	1	0	CNc1cc(N(C)C)[nH+]cn1,CNc1cc(N(C)C)nc[nH+]1,C[NH2+]c1cc(N(C)C)ncn1,CNc1cc([NH+](C)C)ncn1	CNc1cc(N(C)C)ncn1	mol4185	CNc1cc(N(C)C)ncn1