pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.53999996185303	QSARToolbox	0	-1	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(-c3nnn[nH]3)cn21	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(-c3nnn[n-]3)cn21	mol36930	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(-c3nnn[nH]3)cn21