pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Baltruschat ChEMBL	2	1	Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])C(C2CCCCC2)C2CCCCC2)c[nH+]1	Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)c[nH+]1,Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])C(C2CCCCC2)C2CCCCC2)cn1	mol19289	Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)cn1