11481186 -OEChem-10051720363D 23 23 0 1 0 0 0 0 0999 V2000 -1.8856 -1.3114 1.5694 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6883 -0.2289 -0.8722 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3439 1.4671 0.4784 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 -0.2401 -0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 0.4678 -0.1567 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7644 0.6084 -0.4052 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5571 1.3805 -0.6823 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.5813 -0.9480 0.2160 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1399 -0.5782 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5126 0.1954 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7237 -1.3383 -0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 0.5283 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5564 0.1146 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 -0.9919 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 0.8748 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 -1.8323 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 0.4925 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 1.0735 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 -2.2030 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3075 1.1265 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7152 -1.6069 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 1.7416 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8334 -1.5267 1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 M CHG 4 2 -1 5 1 6 1 7 -1 M END > DB04472 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DHEGJYKMZJGYGW-QMMMGPOBSA-N/SDF?record_type=3d > [H][C@](O)(CN=[N+]=[N-])C1=CC=C(C=C1)[N+]([O-])=O > InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1 > DHEGJYKMZJGYGW-QMMMGPOBSA-N > C8H8N4O3 > 208.1741 > 208.059640142 > 5 > 23 > -2.063470212476659e-07 > 18.782227227996145 > 1 > 1 > 0 > 1 > (1R)-2-azido-1-(4-nitrophenyl)ethan-1-ol > 2.05 > 1.3358897270000005 > -1.89 > 0 > 0 > 1 > 0 > 13.685312730412752 > -3.4875518773056498 > 92.80000000000001 > 51.44940000000001 > 4 > 1 > 2.70e+00 g/l > biotin > 0 $$$$