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Molecule : VIB

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
2	InChIKey	InChI	1.03	JZRWCGZRTZMZEH-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N
4	SMILES	CACTVS	3.341	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
5	SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
6	Canonical SMILES	CACTVS	3.341	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO