pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Baltruschat ChEMBL	0	-1	CCN(Cc1cc(C(F)(F)F)ccc1-c1[nH+]c(CC(=O)[O-])c2ccccn12)C(=O)C1CC1	CCN(Cc1cc(C(F)(F)F)ccc1-c1nc(CC(=O)[O-])c2ccccn12)C(=O)C1CC1	mol17886	CCN(Cc1cc(C(F)(F)F)ccc1-c1nc(CC(=O)O)c2ccccn12)C(=O)C1CC1
3.0	Baltruschat ChEMBL	1	0	CCN(Cc1cc(C(F)(F)F)ccc1-c1[nH+]c(CC(=O)O)c2ccccn12)C(=O)C1CC1	CCN(Cc1cc(C(F)(F)F)ccc1-c1[nH+]c(CC(=O)[O-])c2ccccn12)C(=O)C1CC1	mol17886	CCN(Cc1cc(C(F)(F)F)ccc1-c1nc(CC(=O)O)c2ccccn12)C(=O)C1CC1