pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	Datawarrior	1	0	Cc1cc2[nH+]cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2cc1C	Cc1cc2ncn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2cc1C	mol14678	Cc1cc2ncn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2cc1C