0 B12R0.1 CCCCCCCCC(=O)OCC CS-0107002 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.1 CCOC(=O)CCCCCCCBr CS-D1735 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.3 CCCCCCCCCCCBr CS-0085449 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.3 CCCCCCCCCCCC CS-0152244 [1,0,0,0,0,0|1,0,1]=3 4 B11R0.3 CCCCCCCCCCCO CS-W004292 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.3 CCNCCCCCCNCC CS-0187571 [1,0,0,0,0,0|2,0,1]=4 6 B11R0.4 CCCCCCCC(=O)OCC CS-W016021 [1,0,0,0,0,0|0,0,0]=1 7 B11R0.4 CCOC(=O)CCCCCCBr CS-W008245 [1,0,0,0,0,0|1,0,0]=2 8 B11R0.4 CCOC(=O)CCCCCCN CS-0028472 [1,0,0,0,0,0|1,0,0]=2 9 B11R0.40 CCCCCCCCC(=O)O[Na] CS-0185612 [1,0,0,0,0,0|1,0,0]=2 10 B11R0.40 CCCCCCCCC(O)CO CS-0198860 [1,0,0,0,0,0|1,0,2]=4 11 B11R0.40 CCCCCC\C=C\C(=O)OC CS-0152302 [1,0,0,0,0,0|0,0,2]=3 12 B11R0.40 COC(=O)CCCCCCCBr CS-0129057 [1,0,0,0,0,0|1,0,0]=2 13 B11R0.40 COC(=O)CCCCCCCN CS-0129029 [1,0,0,0,0,0|1,0,0]=2 14 B13R0.2 CCCCCCCCCC(=O)OCC CS-W015600 [0,1,0,0,0,0|0,0,0]=1 15 B13R0.2 CCCCCCCCOC(=O)CC#N CS-0152152 [0,1,0,0,0,0|2,0,1]=4 16 B13R0.2 CCCCCCC\C=C\C(=O)OCC CS-0185794 [0,1,0,0,0,0|0,0,1]=2 17 B13R0.2 CCOC(=O)CCCCCCCCBr CS-0151580 [0,1,0,0,0,0|0,0,0]=1 18 B13R0.88 CCOC(=O)CCCCCCC(=O)O CS-0446113 [0,1,0,0,0,0|1,0,1]=3 19 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl CS-W006088 [0,1,0,0,0,0|1,0,0]=2 20 B13R0.367 CCOC(=O)CCNCC(=O)OCC CS-0119150 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.42 CCOC(=O)CCN1CCOCC1 CS-0038645 [0,0,0,1,0,0|2,0,0]=3 22 B13R1.42 CCOC(=O)CNC1CCCCC1 CS-0348181 [0,0,0,1,0,0|1,0,0]=2 23 B13R1.42 CCOC(=O)COC1CCCCO1 CS-0151565 [0,0,0,1,0,0|2,0,0]=3 24 B13R1.42 CCOC(=O)\C=C\C1CCNCC1 CS-0527500 [0,0,0,1,0,0|1,0,2]=4 25 B13R1.279 NC1CCCCCCCCCCC1 CS-0074513 [0,0,0,1,0,0|2,0,1]=4 26 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [0,0,0,1,0,0|1,0,0]=2 27 B13R1.463 CCOC(=O)C1CCCCCC1=O CS-0099478 [0,0,0,1,0,0|1,0,1]=3 28 B13R1.463 CCOC(=O)C1CCOCCC1=O CS-0047300 [0,0,0,1,0,0|2,0,1]=4 29 B13R1.470 CCOC(=O)CC1CCCCC1=O CS-0132655 [0,0,0,1,0,0|1,0,1]=3 30 B10R0.71 C=C=CCCCCCCCC CS-1014355 [2,0,0,0,0,0|0,0,2]=4 31 B10R0.71 CCCCCCCCCCCl CS-W017386 [2,0,0,0,0,0|1,0,1]=4 32 B10R0.71 CCCCCCCCCCI CS-0196431 [2,0,0,0,0,0|1,0,1]=4 33 B10R0.71 CCCCCCCCCCN CS-W016217 [2,0,0,0,0,0|1,0,1]=4 34 B10R0.71 CCCCCCCCCCO CS-0015994 [2,0,0,0,0,0|1,0,1]=4 35 B10R0.71 CCOCCNCCOCC CS-0621685 [2,0,0,0,0,0|2,0,0]=4 36 B10R0.1 C=CCCCCC(=O)OCC CS-0159602 [2,0,0,0,0,0|0,0,2]=4 37 B10R0.1 CCCCCCC(=O)OCC CS-W010893 [2,0,0,0,0,0|0,0,0]=2 38 B10R0.1 CCOC(=O)CCCCCBr CS-W022710 [2,0,0,0,0,0|1,0,0]=3 39 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [2,0,0,0,0,0|1,0,0]=3 40 B10R0.1 CCOC(=O)COCCCCl CS-0163231 [2,0,0,0,0,0|2,0,0]=4 41 B10R0.1 CCOCCCC(=O)OCC CS-0904341 [2,0,0,0,0,0|1,0,0]=3 42 B10R0.74 CCCCCC#CC(=O)OC CS-W014292 [2,0,0,0,0,0|0,0,2]=4 43 B10R0.74 CCCCCCCC(=O)NN CS-W002067 [2,0,0,0,0,0|2,0,0]=4 44 B10R0.74 CCCCCCCC(=O)NO CS-W001857 [2,0,0,0,0,0|2,0,0]=4 45 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [2,0,0,0,0,0|0,0,0]=2 46 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [2,0,0,0,0,0|1,0,0]=3 47 B10R0.74 CCCCC\C=C\C(=O)OC CS-0097187 [2,0,0,0,0,0|0,0,2]=4 48 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [2,0,0,0,0,0|1,0,0]=3 49 B10R0.74 COC(=O)CCCCCCN CS-W004807 [2,0,0,0,0,0|1,0,0]=3 50 B10R0.74 COC(=O)CCCCCCO CS-0059718 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.4 C#CCCCCCCC(=O)O CS-0131147 [2,0,0,0,0,0|0,0,2]=4 52 B10R0.4 CC(=O)SCCCCCCN CS-0437379 [2,0,0,0,0,0|2,0,0]=4 53 B10R0.4 CCCCCCCCB(O)O CS-W000909 [2,0,0,0,0,0|1,0,1]=4 54 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [2,0,0,0,0,0|0,0,0]=2 55 B10R0.4 CCCCOCCOC(C)=O CS-0198135 [2,0,0,0,0,0|2,0,0]=4 56 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [2,0,0,0,0,0|1,0,0]=3 57 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [2,0,0,0,0,0|1,0,0]=3 58 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [2,0,0,0,0,0|1,0,0]=3 59 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [2,0,0,0,0,0|1,0,0]=3 60 B12R0.5 CCCCCCCCCCCCC CS-0128437 [1,1,0,0,0,0|1,0,1]=4 61 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [1,1,0,0,0,0|1,0,1]=4 62 B12R0.5 CCCCCCCCCCCCI CS-0197229 [1,1,0,0,0,0|1,0,1]=4 63 B12R0.5 CCCCCCCCCCCCN CS-0013582 [1,1,0,0,0,0|1,0,1]=4 64 B12R0.5 CCCCCCCCCCCCN CS-0152187 [1,1,0,0,0,0|1,0,1]=4 65 B12R0.5 CCCCCCCCCCCCO CS-D1360 [1,1,0,0,0,0|1,0,1]=4 66 B12R0.5 CCCCCCNCCCCCC CS-W016942 [1,1,0,0,0,0|1,0,1]=4 67 B12R0.5 CCCCCCOCCOCCO CS-0198134 [1,1,0,0,0,0|1,0,1]=4 68 B12R0.5 CCOCCCCCCCCCO CS-B0285 [1,1,0,0,0,0|0,0,1]=3 69 B12R0.114 CCOC(=O)C(=O)CCCCCCl CS-W015296 [1,1,0,0,0,0|1,0,1]=4 70 B12R0.276 CCOC(=O)CCCCC(=O)OC CS-0564556 [1,1,0,0,0,0|1,0,1]=4 71 B12R0.277 CCOC(=O)CCCCCC(=O)O CS-W016803 [1,1,0,0,0,0|1,0,1]=4 72 B12R0.285 CCOC(=O)CCCC(=O)OCC CS-0010829 [1,1,0,0,0,0|1,0,1]=4 73 B12R0.183 COC(=O)CCCCCC(=O)OC CS-W001472 [1,1,0,0,0,0|1,0,1]=4 74 B12R0.184 COC(=O)CCCCCCC(=O)O CS-W001958 [1,1,0,0,0,0|1,0,1]=4 75 B12R0.312 CCCCCCCCS(=O)(=O)O[Na] CS-0148405 [1,1,0,0,0,0|2,0,0]=4 76 B12R0.312 CCCCCCCCS(=O)(=O)O[Na] CS-W009316 [1,1,0,0,0,0|2,0,0]=4 77 B14R0.1 CCOC(=O)CCCCCC(=O)OCC CS-W014842 [0,2,0,0,0,0|0,0,1]=3 78 B14R0.393 CCCCCCCCCCC(=O)OCC CS-W014923 [0,2,0,0,0,0|0,0,0]=2 79 B14R0.393 CCOC(=O)CCCCCCCCCBr CS-0001454 [0,2,0,0,0,0|0,0,0]=2 80 B14R0.94 CC(C)(C)OC(=O)CCCCCCCBr CS-0162715 [0,2,0,0,0,0|1,0,0]=3 81 B14R0.94 CC(C)(C)OC(=O)CCCCCCCN CS-0058999 [0,2,0,0,0,0|1,0,0]=3 82 B14R0.94 CC(C)(C)OC(=O)CCCCCCCO CS-0129686 [0,2,0,0,0,0|1,0,0]=3 83 B14R0.94 CC(C)(C)OC(=O)NCCCCCCBr CS-W012277 [0,2,0,0,0,0|2,0,0]=4 84 B14R0.94 CC(C)(C)OC(=O)NCCCCCCI CS-0375733 [0,2,0,0,0,0|2,0,0]=4 85 B14R0.94 CC(C)(C)OC(=O)NCCCCCCN CS-W008296 [0,2,0,0,0,0|2,0,0]=4 86 B14R0.94 CC(C)(C)OC(=O)NCCCCCCO CS-W014812 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.28 CCCCCC1CCCC(=O)O1 CS-W017695 [1,0,0,1,0,0|2,0,0]=4 88 B12R1.32 CCOC(=O)C=C1CCCCC1 CS-0151873 [1,0,0,1,0,0|0,0,2]=4 89 B12R1.32 CCOC(=O)CC1CCCCC1 CS-0108510 [1,0,0,1,0,0|0,0,0]=2 90 B12R1.32 CCOC(=O)CC1CCCCN1 CS-0183667 [1,0,0,1,0,0|1,0,0]=3 91 B12R1.32 CCOC(=O)CC1CCCNC1 CS-W001469 [1,0,0,1,0,0|1,0,0]=3 92 B12R1.32 CCOC(=O)CC1CCNCC1 CS-W001869 [1,0,0,1,0,0|1,0,0]=3 93 B12R1.32 CCOC(=O)CC1CCOCC1 CS-D1493 [1,0,0,1,0,0|1,0,0]=3 94 B12R1.32 CCOC(=O)CN1CCNCC1 CS-W010769 [1,0,0,1,0,0|2,0,0]=4 95 B12R1.32 CCOC(=O)CN1CCOCC1 CS-0067772 [1,0,0,1,0,0|2,0,0]=4 96 B12R1.308 CCOC(=O)C1CCCCC1=O CS-M0078 [1,0,0,1,0,0|1,0,1]=4 97 B12R1.308 CCOC(=O)C1CCCCC1O CS-W005922 [1,0,0,1,0,0|1,0,0]=3 98 B12R1.308 CCOC(=O)C1CCCCN1C CS-0030554 [1,0,0,1,0,0|1,0,0]=3 99 B12R1.318 CCOC(=O)CC1CCCC1=O CS-W008633 [1,0,0,1,0,0|1,0,1]=4 100 B12R1.1 CCCCCC1CCC(=O)CC1 CS-W013233 [1,0,0,1,0,0|0,0,0]=2 101 B12R1.1 CCCCCC1CCC(O)CC1 CS-W017686 [1,0,0,1,0,0|0,0,2]=4 102 B12R1.7 CCCCCCC1CCC(=O)O1 CS-W017696 [1,0,0,1,0,0|1,0,0]=3 103 B12R1.27 COC(=O)CCN1CCNCC1 CS-0251008 [1,0,0,1,0,0|2,0,0]=4 104 B12R1.27 COC(=O)COC1CCNCC1 CS-0341267 [1,0,0,1,0,0|2,0,0]=4 105 B12R1.27 O=C(CCl)NCC1CCCCC1 CS-0145402 [1,0,0,1,0,0|2,0,0]=4 106 B12R1.365 COC(=O)C1CCCCCC1=O CS-0043401 [1,0,0,1,0,0|1,0,1]=4 107 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,1,0,1,0,0|1,0,0]=3 108 B14R1.216 CCCCCCCCN1CCCC1=O CS-W015668 [0,1,0,1,0,0|1,0,0]=3 109 B14R1.622 CCOC(=O)C1CCCCCCC1=O CS-0214857 [0,1,0,1,0,0|0,0,1]=3 110 B14R1.4408 O=C1CCCCCCCCCCCN1 CS-0313348 [0,1,0,1,0,0|1,0,0]=3 111 B14R1.156 C=CCOC(=O)CCC1CCCCC1 CS-W015700 [0,1,0,1,0,0|0,0,1]=3 112 B14R1.1047 CCCCCC(=O)NC1CCOC1=O CS-0038074 [0,1,0,1,0,0|1,0,1]=4 113 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 CS-0122075 [0,1,0,1,0,0|0,0,1]=3 114 B14R1.29 CCOC(=O)CC(=O)C1CCOCC1 CS-0199478 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.836 CCOC(=O)C1CC12CCNCC2 CS-0148013 [0,0,0,2,0,0|1,0,0]=3 116 B14R2.9904 [C@H]12CCC[C@H]1CN[C@@H]2C(=O)OCC CS-M2271 [0,0,0,2,0,0|1,0,0]=3 117 B14R2.33546 CCOC(=O)C12CNCC1CNC2 CS-0997852 [0,0,0,2,0,0|2,0,0]=4