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Molecule : TNI

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C13H8Br2ClNO2/c14-9-4-13(12(6-18)17-5-9)19-7-8-1-2-11(16)10(15)3-8/h1-6H,7H2
2	InChIKey	InChI	1.06	OOQAVDHJTTURSY-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(Br)c1
4	SMILES	CACTVS	3.385	Clc1ccc(COc2cc(Br)cnc2C=O)cc1Br
5	SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1COc2cc(cnc2C=O)Br)Br)Cl
6	Canonical SMILES	CACTVS	3.385	Clc1ccc(COc2cc(Br)cnc2C=O)cc1Br
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1COc2cc(cnc2C=O)Br)Br)Cl