pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.36	Baltruschat ChEMBL	0	-1	O=C([O-])[C@H]1CCC[NH+](CCC=C(c2ccccc2)c2ccccc2)C1	O=C([O-])[C@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1	mol16059	O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
3.32	Baltruschat ChEMBL	1	0	O=C(O)[C@H]1CCC[NH+](CCC=C(c2ccccc2)c2ccccc2)C1	O=C([O-])[C@H]1CCC[NH+](CCC=C(c2ccccc2)c2ccccc2)C1	mol16059	O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1