pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	Baltruschat ChEMBL	1	0	O=C1N[C@@H](CCc2ccccc2)C(O)=C1C(=[OH+])NC1CCCCC1,O=C(NC1CCCCC1)C1=C(O)[C@H](CCc2ccccc2)NC1=[OH+]	O=C(NC1CCCCC1)C1=C(O)[C@H](CCc2ccccc2)NC1=O	mol17775	O=C(NC1CCCCC1)C1=C(O)C(CCc2ccccc2)NC1=O