pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	Baltruschat ChEMBL	1	0	COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1,COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1	COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1	mol17528	COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1