pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	IUPAC digitized pKa	1	0	COc1cc(N(C)C)[nH+]cn1,COc1cc([NH+](C)C)ncn1,COc1cc(N(C)C)nc[nH+]1	COc1cc(N(C)C)ncn1	mol4183	COc1cc(N(C)C)ncn1
4.29	AttenGpKa training set	1	0	COc1cc(N(C)C)[nH+]cn1,COc1cc([NH+](C)C)ncn1,COc1cc(N(C)C)nc[nH+]1	COc1cc(N(C)C)ncn1	mol4183	COc1cc(N(C)C)ncn1