pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Datawarrior	0	-1	COc1ccc2c(c1[O-])-c1c3c(cc4c1[C@@H](C2)[NH+](C)CC4)OCO3,COc1ccc2c(c1O)-c1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3	COc1ccc2c(c1[O-])-c1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3	mol14619	COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3