Mrv1652309022209482D 14 16 0 0 1 0 999 V2000 3.2789 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7780 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2629 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 2 14 1 0 0 0 0 10 14 1 6 0 0 0 M END > NP0151488 > NP-MRD > O=C1[C@@H]2CCCN2C(=O)[C@@H]2CCCN12 > InChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2/t7-,8-/m0/s1 > BKASXWPLSXFART-YUMQZZPRSA-N > C10H14N2O2 > 194.234 > 194.105527699 > 2 > 28 > 20.292837811681537 > 1 > 0 > 0 > 0 > (3S,9S)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodecane-2,8-dione > -0.20 > -0.5277068393333333 > 0.39 > 0 > 3 > 0 > 19.688320571272158 > 19.602194775585776 > -3.6393562497794014 > 40.620000000000005 > 49.973000000000006 > 0 > 1 > 4.82e+02 g/l > (3S,9S)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodecane-2,8-dione > 0 > NP0151488 > (3s,9s)-1,7-diazatricyclo[7.3.0.0³,⁷]dodecane-2,8-dione $$$$