pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.63	Baltruschat ChEMBL	1	0	Cc1[nH+]c2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccccc1C1CC1)O3	Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccccc1C1CC1)O3	mol21624	Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccccc1C1CC1)O3