pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.36	Baltruschat ChEMBL	1	0	C/C1=C/C=C/C(=O)O[C@H](/C=C(C)/C=C/C(C)=C/C[NH+]2CCOCC2)Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C1	C/C1=C/C=C/C(=O)O[C@H](/C=C(C)/C=C/C(C)=C/CN2CCOCC2)Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C1	mol20703	C/C1=C/C=C\C(=O)O[C@H](/C=C(C)/C=C/C(C)=C/CN2CCOCC2)Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C1