"ALOGPS" . "[H][C@@]1(CO)COB(O1)C1=CC=C(CNC(N)=N)C=C1" . "0" . "-1" . "CC(C)C1=CN\\C(S1)=N\\C(=O)CC1=CC=CN=C1" . "6" . "529.200669455" . "1.91" . "14" . "6.92" . "2" . "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-" . "454.726" . "ChemAxon" . "1" .