pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.63	Baltruschat ChEMBL	1	0	CON(C)C(=O)c1cn2c(C)c(C)[nH+]c2c2c1CC[C@@]1(CCc3ccccc31)O2	CON(C)C(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@]1(CCc3ccccc31)O2	mol18661	CON(C)C(=O)c1cn2c(C)c(C)nc2c2c1CCC1(CCc3ccccc31)O2