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Molecule : L5E

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H13Br2NO2/c12-8-2-3-9(13)7-5-11(15,16)10(14)4-1-6(7)8/h2-3,10,15-16H,1,4-5,14H2/p+1/t10-/m0/s1
2	InChIKey	InChI	1.03	JKSZJUHJLDPZJQ-JTQLQIEISA-O
3	SMILES	CACTVS	3.385	[NH3+][CH]1CCc2c(Br)ccc(Br)c2CC1(O)O
4	SMILES	OpenEye OEToolkits	2.0.7	c1cc(c2c(c1Br)CCC(C(C2)(O)O)[NH3+])Br
5	Canonical SMILES	CACTVS	3.385	[NH3+][C@H]1CCc2c(Br)ccc(Br)c2CC1(O)O
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br