67874 -OEChem-06132013113D 16 16 0 0 0 0 0 0 0999 V2000 -2.4697 1.2552 0.0003 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4706 -0.6278 -1.0865 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 -0.6313 1.0937 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 0.0010 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 0.0006 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2421 1.2085 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 -1.2075 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 0.0004 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 1.2083 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -1.2076 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 0.0003 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2821 2.1602 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2926 -2.1538 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 2.1560 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -2.1518 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 0.9214 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 1 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 M END > DB03610 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BAYGVMXZJBFEMB-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC=C(C=C1)C(F)(F)F > InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H > BAYGVMXZJBFEMB-UHFFFAOYSA-N > C7H5F3O > 162.1092 > 162.029249397 > 1 > 16 > -0.004084995138318834 > 12.232056147628182 > 1 > 1 > 0 > 0 > 4-(trifluoromethyl)phenol > 2.65 > 2.5475289759999997 > -1.51 > 0 > 0 > 1 > 0 > 9.387030731676834 > -5.962199777609452 > 20.23 > 34.0126 > 1 > 1 > 5.06e+00 g/l > (2S,3S,4S,5R,6R)-6-[5-(4'-{[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl}-[1,1'-biphenyl]-2-yl)-1,2,3,4-tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid > 1 $$$$