7682 -OEChem-02252017573D 18 18 0 0 0 0 0 0 0999 V2000 -1.6163 -0.0017 1.6576 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 0.0003 -0.9279 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5349 0.0004 -0.1653 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 0.0002 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 -1.2078 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 1.2082 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -1.2079 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 1.2080 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 0.0000 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 0.0003 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2537 -2.1549 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 2.1553 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 -2.1484 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 2.1485 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 0.0000 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 0.0003 -1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1559 -0.0008 0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8236 -0.0014 2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 10 2 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M END > DB03694 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FULZLIGZKMKICU-UHFFFAOYSA-N/SDF?record_type=3d > NC(=S)NC1=CC=CC=C1 > InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10) > FULZLIGZKMKICU-UHFFFAOYSA-N > C7H8N2S > 152.217 > 152.040818956 > 0 > 18 > -1.2727947050129583e-07 > 16.031770525437317 > 1 > 2 > 0 > 0 > phenylthiourea > 0.57 > 1.7672802339999998 > -2.23 > 0 > 0 > 1 > 0 > 18.24708013412829 > 13.895260902506019 > 38.05 > 47.5886 > 1 > 1 > 9.04e-01 g/l > mesoxalic acid > 1 $$$$