pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.200000002980232	QSARToolbox	1	0	Cc1cc2n[nH+]n([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C,Cc1cc2[nH+]nn([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C	Cc1cc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C	mol38204	Cc1cc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C