Mrv0541 07041311572D 8 8 0 0 0 0 999 V2000 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 C 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 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 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 6 5 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 M END > DBMET00728 > drugbank > OC(=O)C1=CNN=C1 > InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8) > IMBBXSASDSZJSX-UHFFFAOYSA-N > C4H4N2O2 > 112.0868 > 112.027277382 > 3 > 12 > -0.9997311633062419 > 9.519025142943725 > 1 > 2 > 0 > 0 > 1H-pyrazole-4-carboxylic acid > -0.25 > -0.06498728399999995 > -0.17 > 0 > -1 > 1 > -1 > 15.307794510626296 > 3.452777537352807 > 1.4250985376585703 > 65.98 > 27.0016 > 1 > 1 > 7.51e+01 g/l > biotin > 0 > DBMET00728 > 4-carboxypyrazole > 4XJZ84GV8E $$$$