pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.37	Datawarrior	0	-1	O=C1CSc2ncnc(N3CCOCC3)c2N1	O=C1CSc2ncnc(N3CCOCC3)c2[N-]1	mol15278	O=C1CSc2ncnc(N3CCOCC3)c2N1
2.07	Datawarrior	1	0	O=C1CSc2nc[nH+]c(N3CCOCC3)c2N1,O=C1CSc2ncnc([NH+]3CCOCC3)c2N1,O=C1CSc2[nH+]cnc(N3CCOCC3)c2N1	O=C1CSc2ncnc(N3CCOCC3)c2N1	mol15278	O=C1CSc2ncnc(N3CCOCC3)c2N1
2.0699999	OCHEM	1	0	O=C1CSc2nc[nH+]c(N3CCOCC3)c2N1,O=C1CSc2ncnc([NH+]3CCOCC3)c2N1,O=C1CSc2[nH+]cnc(N3CCOCC3)c2N1	O=C1CSc2ncnc(N3CCOCC3)c2N1	mol15278	O=C1CSc2ncnc(N3CCOCC3)c2N1
2.0699999332428	QSARToolbox	1	0	O=C1CSc2nc[nH+]c(N3CCOCC3)c2N1,O=C1CSc2ncnc([NH+]3CCOCC3)c2N1,O=C1CSc2[nH+]cnc(N3CCOCC3)c2N1	O=C1CSc2ncnc(N3CCOCC3)c2N1	mol15278	O=C1CSc2ncnc(N3CCOCC3)c2N1