pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.87	Baltruschat ChEMBL	1	0	CCOc1cc(C[NH+]2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1-c1ccc(F)cc1,CCOc1cc(CN2CCC(NC(=O)c3c[nH+]cc(C)c3)CC2)ccc1-c1ccc(F)cc1	CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1-c1ccc(F)cc1	mol19449	CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1-c1ccc(F)cc1