-ISIS- 04261722012D 24 25 0 0 0 0 0 0 0 0999 V2000 0.3292 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 0.5583 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3708 0.5500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5208 2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -0.4208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2208 1.0417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8792 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 3.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 -3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 3.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 16 10 2 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 10 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 8 7 2 0 0 0 0 21 17 2 0 0 0 0 M CHG 4 4 1 5 1 12 -1 13 -1 M END > (STL503502) STL503502 > (STL503502) 1 > (STL503502) 5.193 > (STL503502) 140.97 > (STL503502) 2 > (STL503502) 6 > (STL503502) 2 > (STL503502) 4-[(3,5-dimethylphenyl)amino]-3,5-dinitrobenzoic acid > (STL503502) 331.28 > (STL503502) C15H13N3O6 > (STL503502) OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Nc1cc(C)cc(c1)C $$$$