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Molecule : JDL

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H12FN3/c1-14-6-8-5-9(12)4-7-2-3-15(10(7)8)11(14)13/h4-5,13H,2-3,6H2,1H3/b13-11-
2	InChIKey	InChI	1.03	FHPIUPDPCMWKJY-QBFSEMIESA-N
3	SMILES	CACTVS	3.385	CN1Cc2cc(F)cc3CCN(C1=N)c23
4	SMILES	OpenEye OEToolkits	2.0.7	CN1Cc2cc(cc3c2N(C1=N)CC3)F
5	Canonical SMILES	CACTVS	3.385	CN1Cc2cc(F)cc3CCN(C1=N)c23
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C\1/N(Cc2cc(cc3c2N1CC3)F)C