221202 -OEChem-03182423222D 29 28 0 0 0 0 0 0 0999 V2000 0.5369 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4030 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8671 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0010 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2996 8.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 8.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 6.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 13 1 0 0 0 0 7 15 1 0 0 0 0 8 18 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 18 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 18 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 M CHG 4 2 -1 4 -1 6 1 7 1 M END > 221202 > 1 > 272 > 6 > 4 > 0 > AAADccBzuAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAUCAAADAyBmAAzxoBQQgChAiRCYwCCAACgIgAgiAAFbIoKJiKS0dOAcABkwFEI2AewwCAOAEAAQAQIEAAAgACACBAgAAAAAAAAAA== > guanidine;2-methyl-4,6-dinitro-phenol > guanidine;2-methyl-4,6-dinitrophenol > guanidine;2-methyl-4,6-dinitrophenol > guanidine;2-methyl-4,6-dinitrophenol > guanidine;2-methyl-4,6-dinitro-phenol > guanidine;2-methyl-4,6-dinitro-phenol > InChI=1S/C7H6N2O5.CH5N3/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;2-1(3)4/h2-3,10H,1H3;(H5,2,3,4) > SJUVDVQHYMIEOT-UHFFFAOYSA-N > 257.07601847 > C8H11N5O5 > 257.20 > CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C(=N)(N)N > CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C(=N)(N)N > 188 > 257.07601847 > 0 > 18 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 12 8 11 14 8 12 13 8 13 16 8 14 15 8 15 16 8 $$$$