4173 -OEChem-10051719253D 21 21 0 0 0 0 0 0 0999 V2000 3.2301 1.6554 -0.2213 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 1.6655 -0.1573 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6054 2.2340 0.3674 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 -0.4284 0.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 -2.2460 -0.2496 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 1.3468 0.0717 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3441 0.3929 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 -1.7861 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 0.0050 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 0.8894 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 -1.1345 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -2.5939 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 1.1799 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -0.2261 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 0.0557 -1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 1.5152 -1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8282 -1.2180 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 -3.6397 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2464 -2.2422 -0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -2.5712 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 2.4065 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 21 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 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M CHG 2 2 -1 6 1 M END > DB00916 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VAOCPAMSLUNLGC-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NC=C(N1CCO)[N+]([O-])=O > InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 > VAOCPAMSLUNLGC-UHFFFAOYSA-N > C6H9N3O3 > 171.154 > 171.064391169 > 4 > 21 > 0.00010630270818133456 > 15.865661408610908 > 1 > 1 > 0 > 0 > 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol > -0.15 > -0.45931022466666654 > -1.46 > 0 > 0 > 1 > 0 > 15.411845907339162 > 3.026605359460189 > 81.19 > 40.2163 > 3 > 1 > 5.92e+00 g/l > tetrahydrofolic acid > 0 $$$$