77022 -OEChem-10051723563D 9 9 0 0 0 0 0 0 0999 V2000 -2.6852 -0.0674 -0.0002 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 0.6699 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5248 -0.6704 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1409 1.1276 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 0.0090 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2498 -1.0686 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 2.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 1.2141 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 -2.1294 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 M END > DB02721 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LLNQWPTUJJYTTE-UHFFFAOYSA-N/SDF?record_type=3d > IC1=CNN=C1 > InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) > LLNQWPTUJJYTTE-UHFFFAOYSA-N > C3H3IN2 > 193.9738 > 193.934091526 > 1 > 9 > 6.81434890556062e-06 > 11.729984733925955 > 1 > 1 > 0 > 0 > 4-iodo-1H-pyrazole > 0.94 > 1.2063742863333333 > -1.22 > 0 > 0 > 1 > 0 > 12.675884035915251 > 1.9505408419672987 > 28.68 > 33.1079 > 0 > 1 > 1.18e+01 g/l > biotin > 1 $$$$