pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	CNC(=O)c1ccc2c(c1)[C@@H]([NH2+]C)CC[C@H]2c1ccc(Cl)c(Cl)c1	CNC(=O)c1ccc2c(c1)[C@@H](NC)CC[C@H]2c1ccc(Cl)c(Cl)c1	mol17755	CNC(=O)c1ccc2c(c1)[C@@H](NC)CC[C@H]2c1ccc(Cl)c(Cl)c1