pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.79999995231628	QSARToolbox	1	0	Nc1cccc2n[nH+]n([C@H]3C[C@H](O)[C@@H](CO)O3)c12,Nc1cccc2[nH+]nn([C@H]3C[C@H](O)[C@@H](CO)O3)c12,[NH3+]c1cccc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c12	Nc1cccc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c12	mol38224	Nc1cccc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c12