0 B12R0.234 CCCCCCCCCCB(O)O D53367 [0,0,0,0,0,0|1,0,1]=2 1 B12R0.234 COCCOCCOCCC(=O)O M47163 [0,0,0,0,0,0|3,0,0]=3 2 B12R0.234 NCCCCCCCCCC(=O)O A53349 [0,0,0,0,0,0|1,0,0]=1 3 B12R0.234 O=C(O)CCCCCCCCCBr B53316 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.3 BrCCCCCCCCCCBr D39629 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.3 C=CCCCCCCCCCBr B55096 [1,0,0,0,0,0|2,0,0]=3 6 B11R0.3 C=CCCCCCCCCCC D56327 [1,0,0,0,0,0|1,0,0]=2 7 B11R0.3 C=CCCCCCCCCCO U55141 [1,0,0,0,0,0|2,0,0]=3 8 B11R0.3 CCCCCCCCCCCO U67607 [1,0,0,0,0,0|0,0,1]=2 9 B11R0.3 ClCCCCCCCCCCCl D39630 [1,0,0,0,0,0|2,0,1]=4 10 B11R0.3 OCCCCCCCCCCBr B53359 [1,0,0,0,0,0|1,0,1]=3 11 B11R0.148 NCCCCCCCCC(=O)O A50593 [1,0,0,0,0,0|1,0,0]=2 12 B11R0.148 O=C(O)CCCCCCCCBr B38107 [1,0,0,0,0,0|1,0,0]=2 13 B11R0.148 O=C(O)CCCCCCCCO H68316 [1,0,0,0,0,0|1,0,0]=2 14 B11R0.148 O=C(O)CCOCCOCCBr B43867 [1,0,0,0,0,0|3,0,0]=4 15 B13R0.54 O=C(O)CCCCCCCCCCBr B39661 [0,1,0,0,0,0|0,0,0]=1 16 B13R0.54 O=C(O)CCCCCCCCCCS M31896 [0,1,0,0,0,0|0,0,0]=1 17 B13R0.147 CCCCCCCCCCC(=O)OC M56343 [0,1,0,0,0,0|0,0,0]=1 18 B13R0.179 O=C(O)CCCCCCCCC(=O)O A53217 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 H55090 [0,0,0,1,0,0|0,0,0]=1 20 B10R0.71 BrCCCCCCCCCBr D50565 [2,0,0,0,0,0|2,0,0]=4 21 B10R0.71 C=CCCCCCCCCBr B53284 [2,0,0,0,0,0|1,0,1]=4 22 B10R0.71 ClCCCCCCCCCCl D50566 [2,0,0,0,0,0|2,0,0]=4 23 B10R0.71 OCCCCCCCCCBr B50608 [2,0,0,0,0,0|1,0,0]=3 24 B10R0.71 OCCOCCCCCCCl C61799 [2,0,0,0,0,0|2,0,0]=4 25 B10R0.4 CCCCCCCCB(O)O O4860 [2,0,0,0,0,0|1,0,1]=4 26 B10R0.4 CCCCCCCCC(C)=O D53335 [2,0,0,0,0,0|1,0,0]=3 27 B10R0.4 NCCCCCCCC(=O)O A69217 [2,0,0,0,0,0|1,0,0]=3 28 B10R0.4 O=C(O)CCCCCCCBr B47140 [2,0,0,0,0,0|1,0,0]=3 29 B12R0.5 C#CCCCCCCCCCCO D56304 [1,1,0,0,0,0|0,0,2]=4 30 B12R0.5 CCCCCCCCCCCCO D64921 [1,1,0,0,0,0|0,0,1]=3 31 B12R0.5 CCCCCCCCCCN=[N+]=[N-] A1900 [1,1,0,0,0,0|2,0,0]=4 32 B12R0.5 CCOCCCCCCCCCO E64231 [1,1,0,0,0,0|0,0,1]=3 33 B12R0.5 OCCCCCCCCCCCBr B55158 [1,1,0,0,0,0|0,0,1]=3 34 B12R0.5 OCCCCCCCCCCCO U55159 [1,1,0,0,0,0|0,0,1]=3 35 B12R0.184 COC(=O)CCCCCCC(=O)O M50518 [1,1,0,0,0,0|1,0,1]=4 36 B12R0.251 CCCCCCCC[C@H](N)C(=O)O A53348 [1,1,0,0,0,0|0,0,0]=2 37 B12R0.277 CCOC(=O)CCCCCC(=O)O E50517 [1,1,0,0,0,0|1,0,1]=4 38 B14R0.68 O=C(O)CCCCCCCCCC(=O)O N37872 [0,2,0,0,0,0|0,0,1]=3 39 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O A56350 [0,2,0,0,0,0|0,0,0]=2 40 B14R0.394 NCCOCCOCCOCCC(=O)O A50604 [0,2,0,0,0,0|2,0,0]=4 41 B14R0.394 O=C(O)CCOCCOCCOCCBr B50564 [0,2,0,0,0,0|2,0,0]=4 42 B14R0.35 CCCC(=O)NCCCC[C@H](N)C(=O)O B63614 [0,2,0,0,0,0|1,0,1]=4 43 B14R0.393 CCCCCCCCCCC(=O)OCC E39710 [0,2,0,0,0,0|0,0,0]=2 44 B12R1.18 NCCCN1CCCCCC1=O A50569 [1,0,0,1,0,0|2,0,0]=4 45 B14R1.14 CCCCCCCC1CCC(=O)CC1 H57266 [0,1,0,1,0,0|1,0,0]=3