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Molecule : 33W

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1
2	InChIKey	InChI	1.03	LKORPMMOJAJYLC-YFKPBYRVSA-N
3	SMILES	ACDLabs	12.01	Brc1sc(cc1)CC(N)C(=O)O
4	SMILES	CACTVS	3.385	N[CH](Cc1sc(Br)cc1)C(O)=O
5	SMILES	OpenEye OEToolkits	1.9.2	c1cc(sc1CC(C(=O)O)N)Br
6	Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1sc(Br)cc1)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(sc1C[C@@H](C(=O)O)N)Br