pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.39	Baltruschat ChEMBL	0	-1	CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCC[NH+](CCCC(=O)[O-])C4)no2)cc1Cl	CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCN(CCCC(=O)[O-])C4)no2)cc1Cl	mol16066	CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCN(CCCC(=O)O)C4)no2)cc1Cl