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Molecule : W2J

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C7H15NO/c1-6-2-7(5-9)4-8-3-6/h6-9H,2-5H2,1H3/t6-,7-/m1/s1
2	InChIKey	InChI	1.03	SSKKCWRWVKPDIA-RNFRBKRXSA-N
3	SMILES	ACDLabs	12.01	C1(CC(CO)CNC1)C
4	SMILES	CACTVS	3.385	C[CH]1CNC[CH](CO)C1
5	SMILES	OpenEye OEToolkits	2.0.7	CC1CC(CNC1)CO
6	Canonical SMILES	CACTVS	3.385	C[C@H]1CNC[C@H](CO)C1
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H]1C[C@H](CNC1)CO