pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.94	Datawarrior	0	-1	O=S1(=O)N=CNc2cccnc21	O=S1(=O)N=C[N-]c2cccnc21	mol12857	O=S1(=O)N=CNc2cccnc21
6.9400001	OCHEM	0	-1	O=S1(=O)N=CNc2cccnc21	O=S1(=O)N=C[N-]c2cccnc21	mol12857	O=S1(=O)N=CNc2cccnc21
6.94000005722046	QSARToolbox	0	-1	O=S1(=O)N=CNc2cccnc21	O=S1(=O)N=C[N-]c2cccnc21	mol12857	O=S1(=O)N=CNc2cccnc21