pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.85	IUPAC digitized pKa	1	0	COc1ccnc(N(C)C)[nH+]1,COc1ccnc([NH+](C)C)n1,COc1cc[nH+]c(N(C)C)n1	COc1ccnc(N(C)C)n1	mol7407	COc1ccnc(N(C)C)n1
5.87	AttenGpKa training set	1	0	COc1ccnc(N(C)C)[nH+]1,COc1ccnc([NH+](C)C)n1,COc1cc[nH+]c(N(C)C)n1	COc1ccnc(N(C)C)n1	mol7407	COc1ccnc(N(C)C)n1