HMDB0254768 RDKit 3D 1-(5-Cyanopyridin-2-yl)-3-((1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cy... 44 46 0 0 0 0 0 0 0 0999 V2000 -6.0093 2.9134 1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8388 1.9478 0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3023 0.5500 0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5503 0.3450 0.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 -0.6056 0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0107 -1.8632 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 -2.9815 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 -2.8314 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 -3.9428 -0.3976 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 -1.5692 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8306 -1.6141 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 -1.5986 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 -0.3756 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -0.1332 -1.0597 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 0.0133 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 -0.0724 0.6249 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 0.2977 -1.5612 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 0.4309 -1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 0.3438 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7881 0.4877 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6056 0.7400 -1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.9090 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1529 1.0562 -0.9445 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9081 0.8253 -2.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5999 0.6813 -2.3765 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0453 -0.4947 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 0.7821 0.6169 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9659 3.2448 2.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 3.7873 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9591 2.3927 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3095 2.2007 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 2.1248 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1081 -1.9750 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7422 -3.9530 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -2.1758 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 -2.2072 0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 -1.4459 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0919 0.5089 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8715 -0.0695 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 0.4232 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8509 0.1324 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3093 0.4058 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5194 1.0340 -3.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8973 1.3303 0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 3 0 21 24 1 0 24 25 2 0 10 26 2 0 26 27 1 0 26 5 1 0 13 11 1 0 25 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 6 33 1 0 7 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 17 40 1 0 19 41 1 0 20 42 1 0 24 43 1 0 27 44 1 0 M END