Mrv0541 02231216112D 9 9 0 0 0 0 999 V2000 2.1913 1.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0198 0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6329 0.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > DB02401 > drugbank > OC(=O)C1=NON=C1O > InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8) > InChIKey=IBRWUZLLHSXPKL-UHFFFAOYSA-N > 5 > 9.242254477044952 > 1 > 2 > 130.001456562 > 0 > C3H2N2O4 > 0 > 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid > 0.34 > 0.5464165369999999 > -0.45 > 130.059 > 0 > 1 > -2 > 3.9539922928029156 > 3.404685593890624 > -5.707390690193092 > 96.45 > 25.6072 > 1 > 1 > 4.65e+01 g/l > 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid > 0 > DB02401 > experimental > 4-Hydroxy-1,2,5-Oxadiazole-3-Carboxylic Acid $$$$