pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	1	0	CC(C)[NH+]1CCC(Oc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)CC1	CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)CC1	mol17621	CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)CC1