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	Oc1ccc2c(c1)[C@]13CCCC[C@]1(O)[C@H](C2)N(CC1CCC1)CC3,[O-]c1ccc2c(c1)[C@]13CCCC[C@]1(O)[C@H](C2)[NH+](CC1CCC1)CC3	mol31657	Oc1ccc2c(c1)C13CCCCC1(O)C(C2)N(CC1CCC1)CC3