pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69	IUPAC digitized pKa	0	-1	CSc1ncnc2[nH]ncc12	CSc1ncnc2[n-]ncc12	mol4961	CSc1ncnc2[nH]ncc12
9.65	Datawarrior	0	-1	CSc1ncnc2[nH]ncc12	CSc1ncnc2[n-]ncc12	mol4961	CSc1ncnc2[nH]ncc12
9.6499996	OCHEM	0	-1	CSc1ncnc2[nH]ncc12	CSc1ncnc2[n-]ncc12	mol4961	CSc1ncnc2[nH]ncc12
1.0	Datawarrior	1	0	CSc1nc[nH+]c2[nH]ncc12,CSc1ncnc2[nH][nH+]cc12,CSc1[nH+]cnc2[nH]ncc12	CSc1ncnc2[nH]ncc12	mol4961	CSc1ncnc2[nH]ncc12