pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Baltruschat ChEMBL	1	0	COC[C@H](C1CC1)n1cc(Cl)[nH+]c(Nc2cc(C)c(OC)nc2C)c1=O,COC[C@H](C1CC1)n1cc(Cl)nc([NH2+]c2cc(C)c(OC)nc2C)c1=O,COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)[nH+]c2C)c1=O	COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O	mol16514	COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O