Mrv1652309052207362D 14 15 0 0 1 0 999 V2000 0.0768 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 1.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 2 0 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0208560 > NP-MRD > C[C@H]1CCNC2=C(C(C)=O)C(O)=N[C@H]12 > InChI=1S/C10H14N2O2/c1-5-3-4-11-9-7(6(2)13)10(14)12-8(5)9/h5,8,11H,3-4H2,1-2H3,(H,12,14)/t5-,8+/m0/s1 > DAMBAJDWLIFTNW-YLWLKBPMSA-N > C10H14N2O2 > 194.234 > 194.105527699 > 4 > 28 > 20.62858404071479 > 1 > 2 > 0 > 1 > 1-[(7S,7aR)-2-hydroxy-7-methyl-4H,5H,6H,7H,7aH-pyrrolo[3,2-b]pyridin-3-yl]ethan-1-one > 0.2656843360000006 > 0 > 2 > 0 > 15.652042537430976 > 4.820450893780136 > 2.273939377807233 > 61.69 > 53.3515 > 1 > 1 > 1-[(7S,7aR)-2-hydroxy-7-methyl-4H,5H,6H,7H,7aH-pyrrolo[3,2-b]pyridin-3-yl]ethanone > 0 > NP0208560 > 1-[(7s,7ar)-2-hydroxy-7-methyl-4h,5h,6h,7h,7ah-pyrrolo[3,2-b]pyridin-3-yl]ethanone $$$$