pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.19	OCHEM	1	0	Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[NH+](CC1CCC1)CC3	[O-]c1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[NH+](CC1CCC1)CC3,Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3	mol152	Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3