pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.289	IUPAC digitized pKa	1	0	Cc1cc(C)c(C(=O)NCC[NH+](C)C)cc1C	Cc1cc(C)c(C(=O)NCCN(C)C)cc1C	mol6184	Cc1cc(C)c(C(=O)NCCN(C)C)cc1C
8.29	AttenGpKa training set	1	0	Cc1cc(C)c(C(=O)NCC[NH+](C)C)cc1C	Cc1cc(C)c(C(=O)NCCN(C)C)cc1C	mol6184	Cc1cc(C)c(C(=O)NCCN(C)C)cc1C