75846 -OEChem-10051721063D 22 23 0 0 0 0 0 0 0999 V2000 0.5594 -1.8326 0.9656 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 -1.9258 -0.7144 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 1.2013 -0.3061 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6944 1.3622 0.1347 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -0.6517 0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8224 -0.6442 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 -0.9076 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5789 0.6585 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 0.5296 1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9982 -0.9477 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5529 0.0424 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5387 1.6173 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9376 1.4152 0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 0.0831 0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -1.8192 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 0.9351 -1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 0.7675 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2247 -1.9526 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -0.1103 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 2.6495 -0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1045 2.3511 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -0.0997 1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 11 2 0 0 0 0 3 13 1 0 0 0 0 4 12 2 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 M END > DB07623 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UHBAPGWWRFVTFS-UHFFFAOYSA-N/SDF?record_type=3d > S(SC1=CC=NC=C1)C1=CC=NC=C1 > InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H > UHBAPGWWRFVTFS-UHFFFAOYSA-N > C10H8N2S2 > 220.314 > 220.012889646 > 2 > 22 > 0.004906397316513231 > 21.460887988677815 > 1 > 0 > 0 > 1 > 4-(pyridin-4-yldisulfanyl)pyridine > 2.16 > 2.1384000966666665 > -3.06 > 0 > 0 > 2 > 0 > 4.595807394753588 > 25.78 > 58.146400000000014 > 3 > 1 > 1.92e-01 g/l > biotin > 1 $$$$