pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.79	OCHEM	1	0	Cn1c(=O)c2c(nc3n(CCC[NH+]4CCN(c5ccccc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O	Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O	mol19633	Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O