pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.72	Baltruschat ChEMBL	2	1	O[C@@H]1c2cc(OCc3cccc(Cl)[nH+]3)ccc2OC[C@@H]1Cc1ccc[nH+]c1	O[C@@H]1c2cc(OCc3cccc(Cl)[nH+]3)ccc2OC[C@@H]1Cc1cccnc1,O[C@@H]1c2cc(OCc3cccc(Cl)n3)ccc2OC[C@@H]1Cc1ccc[nH+]c1	mol20621	O[C@@H]1c2cc(OCc3cccc(Cl)n3)ccc2OC[C@@H]1Cc1cccnc1