798 -OEChem-10061700023D 16 17 0 0 0 0 0 0 0999 V2000 1.5610 1.1123 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2536 0.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.1056 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 1.4123 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 -1.4182 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 0.6938 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.6998 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 2.0807 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 -2.1155 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 2.4972 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9561 -2.5043 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4829 0.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 1.2317 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 -1.2365 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 M END > DB04532 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SIKJAQJRHWYJAI-UHFFFAOYSA-N/SDF?record_type=3d > N1C=CC2=C1C=CC=C2 > InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H > SIKJAQJRHWYJAI-UHFFFAOYSA-N > C8H7N > 117.1479 > 117.057849229 > 0 > 16 > -3.655636034646148e-10 > 12.81574628396194 > 1 > 1 > 0 > 0 > 1H-indole > 2.29 > 2.0720078089999996 > -1.34 > 0 > 0 > 2 > 0 > 16.437037050201045 > 15.79 > 37.1445 > 0 > 1 > 5.31e+00 g/l > biotin > 1 $$$$