pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Baltruschat ChEMBL	1	0	[NH3+]CCc1c[nH]c2c(O)cc(O)cc12	[NH3+]CCc1c[nH]c2c(O)cc([O-])cc12,[NH3+]CCc1c[nH]c2c([O-])cc(O)cc12,NCCc1c[nH]c2c(O)cc(O)cc12	mol16131	NCCc1c[nH]c2c(O)cc(O)cc12