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Molecule : XAA

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C6H10N2OS/c1-4(9)5(7)6-8-2-3-10-6/h2-5,9H,7H2,1H3/t4-,5+/m1/s1
2	InChIKey	InChI	1.03	QWDNYLFSFTUIKH-UHNVWZDZSA-N
3	SMILES	ACDLabs	10.04	OC(C(N)c1nccs1)C
4	SMILES	CACTVS	3.341	C[CH](O)[CH](N)c1sccn1
5	SMILES	OpenEye OEToolkits	1.5.0	CC(C(c1nccs1)N)O
6	Canonical SMILES	CACTVS	3.341	C[C@@H](O)[C@H](N)c1sccn1
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]([C@@H](c1nccs1)N)O