8007 -OEChem-10051720203D 16 15 0 0 0 0 0 0 0999 V2000 -2.4641 -0.3382 -0.0033 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 -0.3523 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 0.5157 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 0.5071 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -0.3323 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 -0.9999 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 -1.0089 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2461 1.1782 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2535 1.1536 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 1.1408 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 1.1645 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 0.3084 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 -0.9574 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5544 -0.9861 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 0.2470 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 -0.9353 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END > DB03659 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HQABUPZFAYXKJW-UHFFFAOYSA-N/SDF?record_type=3d > CCCCN > InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 > HQABUPZFAYXKJW-UHFFFAOYSA-N > C4H11N > 73.1368 > 73.089149357 > 1 > 16 > 0.9993778000570421 > 9.66287262827564 > 1 > 1 > 0 > 0 > butan-1-amine > 0.85 > 0.6984401493333334 > 0.04 > 0 > 1 > 0 > 1 > 10.205799730941068 > 26.02 > 23.7924 > 2 > 1 > 8.07e+01 g/l > biotin > 1 $$$$