pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Baltruschat ChEMBL	0	-1	CCCn1c(=O)c2nc(-c3ccccc3N)[nH]c2n(CCC)c1=O	CCCn1c(=O)c2nc(-c3ccccc3N)[n-]c2n(CCC)c1=O	mol21034	CCCn1c(=O)c2nc(-c3ccccc3N)[nH]c2n(CCC)c1=O