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Molecule : FME

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
2	InChIKey	InChI	1.03	PYUSHNKNPOHWEZ-YFKPBYRVSA-N
3	SMILES	ACDLabs	10.04	O=CNC(C(=O)O)CCSC
4	SMILES	CACTVS	3.341	CSCC[CH](NC=O)C(O)=O
5	SMILES	OpenEye OEToolkits	1.5.0	CSCCC(C(=O)O)NC=O
6	Canonical SMILES	CACTVS	3.341	CSCC[C@H](NC=O)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	CSCC[C@@H](C(=O)O)NC=O