0 B15R0.366 CCCCCCCCCCCC(=O)OCC CS-W010400 [0,0,0,0,0,0|0,0,0]=0 1 B15R0.366 CCOC(=O)CCCCCCCCCCBr CS-W014552 [0,0,0,0,0,0|1,0,0]=1 2 B14R0.337 C=CC(=O)OCCCCCCCCCC CS-0320686 [1,0,0,0,0,0|1,0,2]=4 3 B14R0.337 CCCCCCCCCCCC(=O)NC CS-0207165 [1,0,0,0,0,0|1,0,0]=2 4 B14R0.337 CCCCCCCCCCCC(=O)NN CS-0315851 [1,0,0,0,0,0|2,0,0]=3 5 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [1,0,0,0,0,0|0,0,0]=1 6 B14R0.337 CCCCCCCCCCCC(=O)O[K] CS-0198015 [1,0,0,0,0,0|1,0,0]=2 7 B14R0.337 COC(=O)CCCCCCCCCCBr CS-0109940 [1,0,0,0,0,0|1,0,0]=2 8 B14R0.337 COC(=O)CCCCCCCCCCN CS-0129049 [1,0,0,0,0,0|1,0,0]=2 9 B14R0.392 CCCCCCCCCCCCCCBr CS-W012307 [1,0,0,0,0,0|2,0,1]=4 10 B14R0.392 CCCCCCCCCCCCCCC CS-0138815 [1,0,0,0,0,0|1,0,1]=3 11 B14R0.392 CCCCCCCCCCCCCCCl CS-W009494 [1,0,0,0,0,0|2,0,1]=4 12 B14R0.392 CCCCCCCCCCCCCCO CS-W004294 [1,0,0,0,0,0|2,0,1]=4 13 B14R0.393 CCCCCCCCCCC(=O)OCC CS-W014923 [1,0,0,0,0,0|0,0,0]=1 14 B14R0.393 CCOC(=O)CCCCCCCCCBr CS-0001454 [1,0,0,0,0,0|1,0,0]=2 15 B16R0.61 CCCCCCCCCCCCC(=O)OCC CS-0185671 [0,1,0,0,0,0|0,0,0]=1 16 B16R0.97 CCOC(=O)CCCCCCCC(=O)OCC CS-0162516 [0,1,0,0,0,0|1,0,1]=3 17 B16R0.661 CCCCCCCCCCCC(=O)NCCO CS-W022897 [0,1,0,0,0,0|1,0,0]=2 18 B16R0.661 CCCCCCCCCCCC(=O)OCCC CS-W002270 [0,1,0,0,0,0|0,0,0]=1 19 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [2,0,0,0,0,0|0,0,2]=4 20 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [2,0,0,0,0,0|0,0,0]=2 21 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [2,0,0,0,0,0|0,0,1]=3 22 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [2,0,0,0,0,0|0,0,0]=2 23 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [2,0,0,0,0,0|1,0,0]=3 24 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [2,0,0,0,0,0|1,0,0]=3 25 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [2,0,0,0,0,0|0,0,2]=4 26 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [2,0,0,0,0,0|0,0,2]=4 27 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [2,0,0,0,0,0|1,0,0]=3 28 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [2,0,0,0,0,0|1,0,0]=3 29 B13R0.147 C=CCCCCCCCCC(=O)OC CS-0068709 [2,0,0,0,0,0|0,0,2]=4 30 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [2,0,0,0,0,0|0,0,0]=2 31 B13R0.147 COC(=O)CCCCCCCCCBr CS-0129053 [2,0,0,0,0,0|1,0,0]=3 32 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [2,0,0,0,0,0|1,0,1]=4 33 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [2,0,0,0,0,0|0,0,1]=3 34 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [2,0,0,0,0,0|1,0,1]=4 35 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [2,0,0,0,0,0|1,0,1]=4 36 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [2,0,0,0,0,0|0,1,1]=4 37 B13R0.2 CCCCCCCCCC(=O)OCC CS-W015600 [2,0,0,0,0,0|0,0,0]=2 38 B13R0.2 CCCCCCC\C=C\C(=O)OCC CS-0185794 [2,0,0,0,0,0|0,0,2]=4 39 B13R0.2 CCOC(=O)CCCCCCCCBr CS-0151580 [2,0,0,0,0,0|1,0,0]=3 40 B15R0.81 CCCCCCCCCCCCC(=O)OC CS-W004287 [1,1,0,0,0,0|0,0,0]=2 41 B15R0.81 COC(=O)CCCCCCCCCCCBr CS-0129051 [1,1,0,0,0,0|0,0,0]=2 42 B15R0.81 COC(=O)CCCCCCCCCCCN CS-0129041 [1,1,0,0,0,0|0,0,0]=2 43 B15R0.172 COC(=O)CCCCCCCCC(=O)OC CS-W014182 [1,1,0,0,0,0|1,0,1]=4 44 B15R0.247 COC(=O)CCCCCCCCCC(=O)O CS-0150693 [1,1,0,0,0,0|1,0,1]=4 45 B15R0.70 CCCCCCCCCCCCCCCC CS-0152222 [1,1,0,0,0,0|1,0,1]=4 46 B15R0.70 CCCCCCCCCCCCCCCO CS-W004295 [1,1,0,0,0,0|1,0,1]=4 47 B15R0.70 CCCCCCCCNCCCCCCC CS-0147099 [1,1,0,0,0,0|1,0,1]=4 48 B15R0.133 CCCCCCCC(O)CCCCCCC CS-0362570 [1,1,0,0,0,0|1,0,1]=4 49 B15R0.149 CCCCCCCCC(O)CCCCCC CS-0652033 [1,1,0,0,0,0|1,0,1]=4 50 B15R0.408 CCOC(=O)CCCCCCC(=O)OCC CS-0151581 [1,1,0,0,0,0|1,0,1]=4 51 B17R0.250 C=COC(=O)CCCCCCCCCCCCC CS-0167856 [0,2,0,0,0,0|0,0,2]=4 52 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CS-0152228 [0,2,0,0,0,0|0,0,0]=2 53 B17R0.285 CCOC(=O)CCCCCCCCC(=O)OCC CS-W010159 [0,2,0,0,0,0|0,0,1]=3 54 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC CS-0169302 [0,2,0,0,0,0|1,0,1]=4 55 B17R0.13601 CCCCCCCCCCCC(=O)OC(C)CO CS-0641576 [0,2,0,0,0,0|0,0,0]=2 56 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCCBr CS-0188449 [0,2,0,0,0,0|1,0,0]=3 57 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCCN CS-0112165 [0,2,0,0,0,0|1,0,0]=3 58 B17R0.13612 CC(C)(C)OC(=O)NCCCCCCCCCN CS-0154364 [0,2,0,0,0,0|2,0,0]=4 59 B17R0.13612 CC(C)(C)OC(=O)NCCCCCCCCCO CS-0433186 [0,2,0,0,0,0|2,0,0]=4 60 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O CS-0201674 [0,2,0,0,0,0|1,0,1]=4 61 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC CS-0185571 [0,2,0,0,0,0|0,0,0]=2 62 B15R1.2988 C1CCCCCCCCCCCCCC1 CS-0320535 [1,0,0,1,0,0|1,0,1]=4 63 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CS-0085751 [0,1,0,1,0,0|0,0,0]=2