pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.66	Baltruschat ChEMBL	1	0	Cc1[nH]c2cc(C(=O)N(C)C)c3c(c2[nH+]1)O[C@H](c1ccccc1C)CC3	Cc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CC[C@@H](c1ccccc1C)O3	mol21636	Cc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CC[C@@H](c1ccccc1C)O3