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Molecule : 80X

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H16ClN3O3/c1-9(19)18-6-5-16-14(21)12(18)8-13(20)17-11-4-2-3-10(15)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,20)/t12-/m1/s1
2	InChIKey	InChI	1.03	VFCHONURCHBPEO-GFCCVEGCSA-N
3	SMILES	CACTVS	3.385	CC(=O)N1CCNC(=O)[CH]1CC(=O)Nc2cccc(Cl)c2
4	SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCNC(=O)C1CC(=O)Nc2cccc(c2)Cl
5	Canonical SMILES	CACTVS	3.385	CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(Cl)c2
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(c2)Cl