pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.4	Datawarrior	1	0	Cc1c[nH+]c([C@@H](O)[C@H](O)[C@H](O)CO)cn1,Cc1cnc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH+]1	Cc1cnc([C@@H](O)[C@H](O)[C@H](O)CO)cn1	mol14302	Cc1cnc([C@@H](O)[C@H](O)[C@H](O)CO)cn1