pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.12	Datawarrior	1	0	""	""	mol14394	COc1cc2c(cc1OC)[C@]13CCN4C(S(=O)(=O)O)C5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43