pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.15	Baltruschat ChEMBL	0	-1	CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CC[NH+](CCCC(=O)[O-])CC4)no2)cc1C#N	CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCCC(=O)[O-])CC4)no2)cc1C#N	mol16065	CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCCC(=O)O)CC4)no2)cc1C#N