pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.5100002288818	QSARToolbox	-2	-3	CC[N-]C(=S)[N-]/N=C/c1c(CO)cnc(C)c1O	CCNC(=S)[N-]/N=C/c1c(C[O-])cnc(C)c1[O-],CC[N-]C(=S)[N-]/N=C/c1c(CO)cnc(C)c1[O-],CC[N-]C(=S)N/N=C/c1c(C[O-])cnc(C)c1[O-],CC[N-]C(=S)[N-]/N=C/c1c(C[O-])cnc(C)c1O	mol35675	CCNC(=S)N/N=C/c1c(CO)cnc(C)c1O