pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.58	IUPAC digitized pKa	2	1	CCNc1cc2[o+]c3cc([NH2+]CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C	CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C	mol8789	CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C
5.55	IUPAC digitized pKa	2	1	CCNc1cc2[o+]c3cc([NH2+]CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C	CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C	mol8789	CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C