pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.51	Baltruschat ChEMBL	1	0	COc1ccc(N2CC[NH+](CCCCNC(=O)c3ccc4nonc4c3)CC2)cc1	COc1ccc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)cc1	mol17535	COc1ccc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)cc1