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Molecule : ECR

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H9FN4O/c13-7-1-2-9(18)12-11(7)8(5-10(14)16-12)17-4-3-15-6-17/h1-6,18H,(H2,14,16)
2	InChIKey	InChI	1.03	GTPKCMGAPYYKBH-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1
4	SMILES	OpenEye OEToolkits	2.0.7	c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F
5	Canonical SMILES	CACTVS	3.385	Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F