pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Baltruschat ChEMBL	1	0	C/[NH+]=C(\S)NCCSCc1[nH]cnc1C,C/N=C(\S)NCCSCc1[nH]c[nH+]c1C	C/N=C(\[S-])NCCSCc1[nH]c[nH+]c1C	mol21065	C/N=C(\S)NCCSCc1[nH]cnc1C