pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.67000007629395	QSARToolbox	1	0	O=C1CSc2ncnc([NH+]3CCCCC3)c2N1,O=C1CSc2[nH+]cnc(N3CCCCC3)c2N1,O=C1CSc2nc[nH+]c(N3CCCCC3)c2N1	O=C1CSc2ncnc(N3CCCCC3)c2N1	mol35759	O=C1CSc2ncnc(N3CCCCC3)c2N1