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Molecule : 6EN

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)
2	InChIKey	InChI	1.03	RBGNHCYGFBRIRO-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	c13ncccc1c(Nc2c(C(O)=O)ccnc2)cn3C
4	SMILES	CACTVS	3.385	Cn1cc(Nc2cnccc2C(O)=O)c3cccnc13
5	SMILES	OpenEye OEToolkits	2.0.4	Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O
6	Canonical SMILES	CACTVS	3.385	Cn1cc(Nc2cnccc2C(O)=O)c3cccnc13
7	Canonical SMILES	OpenEye OEToolkits	2.0.4	Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O