pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	Baltruschat ChEMBL	0	-1	CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)O)c2cccnc12)C(=O)C1CC1,CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)[O-])c2ccc[nH+]c12)C(=O)C1CC1	CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)[O-])c2cccnc12)C(=O)C1CC1	mol17882	CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)O)c2cccnc12)C(=O)C1CC1
2.5	Baltruschat ChEMBL	2	1	CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)O)c2ccc[nH+]c12)C(=[OH+])C1CC1	CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)O)c2ccc[nH+]c12)C(=O)C1CC1	mol17882	CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)O)c2cccnc12)C(=O)C1CC1