233240 -OEChem-10051723563D 18 19 0 0 0 0 0 0 0999 V2000 3.2761 -1.1937 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 1.0727 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 1.1519 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 -1.0684 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 0.7257 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -0.6636 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 0.0444 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 1.4149 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 -1.4265 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 0.6398 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -0.7558 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7142 0.0586 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 2.1145 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0719 2.4981 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -2.5113 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 1.1338 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0573 -1.3311 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 -1.1499 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 M END > DB03028 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RHXSYTACTOMVLJ-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=NC2=CC=CC=C2N1 > InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12) > RHXSYTACTOMVLJ-UHFFFAOYSA-N > C8H6N2O2 > 162.1454 > 162.042927446 > 3 > 18 > -0.9594992239759808 > 15.648907621725428 > 1 > 2 > 0 > 0 > 1H-1,3-benzodiazole-2-carboxylic acid > 1.30 > 0.7669174686255896 > -1.72 > 0 > -1 > 2 > -1 > 11.876584835887824 > 1.8267355930530107 > 3.6389521662016757 > 65.97999999999999 > 41.7019 > 1 > 1 > 3.12e+00 g/l > tetrahydrofolic acid > 0 $$$$