pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	Baltruschat ChEMBL	0	-1	COc1cc(N[C@@H](C)CCCNC(=O)Oc2ccccc2)c2ncccc2c1	COc1cc(N[C@@H](C)CCC[N-]C(=O)Oc2ccccc2)c2ncccc2c1	mol16732	COc1cc(NC(C)CCCNC(=O)Oc2ccccc2)c2ncccc2c1