439771 -OEChem-10051719413D 13 12 0 1 0 0 0 0 0999 V2000 2.3122 0.7983 0.1901 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 1.6163 -0.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 0.3837 0.9225 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -1.9104 -0.2941 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0801 -0.6503 -0.4687 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3702 -0.7077 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 0.4700 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2909 -0.5168 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 -1.5281 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 -0.8425 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 -2.6872 -0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 -1.9157 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 2.3386 -0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 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 10 1 0 0 0 0 M END > DB01735 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ASBJGPTTYPEMLP-UWTATZPHSA-N/SDF?record_type=3d > [NH3+][C@H](CCl)C([O-])=O > InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1 > ASBJGPTTYPEMLP-UWTATZPHSA-N > C3H6ClNO2 > 123.538 > 123.008706148 > 2 > 13 > -0.02954061584862533 > 10.48935139261242 > 1 > 1 > 0 > 0 > (2S)-2-azaniumyl-3-chloropropanoate > -1.57 > -2.5328992268170216 > -1.03 > 0 > 0 > 0 > 0 > 1.703873341970538 > 8.516486842376407 > 67.77000000000001 > 47.221900000000005 > 2 > 1 > 1.66e+01 g/l > biotin > 0 $$$$