1032 -OEChem-03191818073D 11 10 0 0 0 0 0 0 0999 V2000 -1.6213 -0.7156 0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.3033 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -0.7599 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 0.0899 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 0.0823 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -1.3855 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7165 -1.4038 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -0.5468 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 0.7425 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 0.7256 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.1939 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END > DB03766 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XBDQKXXYIPTUBI-UHFFFAOYSA-N/SDF?record_type=3d > [H]CCC(O)=O > InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) > XBDQKXXYIPTUBI-UHFFFAOYSA-N > C3H6O2 > 74.0785 > 74.036779436 > 2 > 11 > 7.24434341571555 > 1 > 1 > 0 > 0 > propanoic acid > 0.31 > 0.47719013266666654 > 0.68 > 0 > 0 > -1 > 4.7546711681673255 > 37.3 > 17.2706 > 1 > 1 > 3.52e+02 g/l > propanoic acid > 1 $$$$