pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Baltruschat ChEMBL	1	0	O=C(c1nnc(-c2ccccc2)o1)N1CCC(Oc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)CC1	O=C(c1nnc(-c2ccccc2)o1)N1CCC(Oc2ccc(CN3CC[C@@H](O)C3)cc2)CC1	mol17727	O=C(c1nnc(-c2ccccc2)o1)N1CCC(Oc2ccc(CN3CCC(O)C3)cc2)CC1