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Molecule : TVR

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1
2	InChIKey	InChI	1.06	ADIKUTCTGUZIDP-ZETCQYMHSA-N
3	SMILES	ACDLabs	12.01	Fc1cccnc1N1CC(=O)NC(C)C1
4	SMILES	CACTVS	3.385	C[CH]1CN(CC(=O)N1)c2ncccc2F
5	SMILES	OpenEye OEToolkits	2.0.7	CC1CN(CC(=O)N1)c2c(cccn2)F
6	Canonical SMILES	CACTVS	3.385	C[C@H]1CN(CC(=O)N1)c2ncccc2F
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]1CN(CC(=O)N1)c2c(cccn2)F