0 B13R0.2 CCCCCCCCCC(=O)OCC CS-W015600 [0,0,0,0,0,0|0,0,0]=0 1 B13R0.2 CCCCCCCCOC(=O)CC#N CS-0152152 [0,0,0,0,0,0|3,0,1]=4 2 B13R0.2 CCCCCCC\C=C\C(=O)OCC CS-0185794 [0,0,0,0,0,0|0,0,2]=2 3 B13R0.2 CCOC(=O)CCCCCCCCBr CS-0151580 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.1 CCCCCCCCC(=O)OCC CS-0107002 [1,0,0,0,0,0|0,0,0]=1 5 B12R0.1 CCOC(=O)CCCCCCCBr CS-D1735 [1,0,0,0,0,0|1,0,0]=2 6 B12R0.5 CCCCCCCCCCCCC CS-0128437 [1,0,0,0,0,0|1,0,1]=3 7 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [1,0,0,0,0,0|2,0,1]=4 8 B12R0.5 CCCCCCCCCCCCI CS-0197229 [1,0,0,0,0,0|2,0,1]=4 9 B12R0.5 CCCCCCCCCCCCN CS-0013582 [1,0,0,0,0,0|2,0,1]=4 10 B12R0.5 CCCCCCCCCCCCN CS-0152187 [1,0,0,0,0,0|2,0,1]=4 11 B12R0.5 CCCCCCCCCCCCO CS-D1360 [1,0,0,0,0,0|2,0,1]=4 12 B12R0.5 CCCCCCNCCCCCC CS-W016942 [1,0,0,0,0,0|2,0,1]=4 13 B12R0.5 CCOCCCCCCCCCO CS-B0285 [1,0,0,0,0,0|1,0,1]=3 14 B12R0.248 C=C=C(C)CCCCCCCCC CS-1014372 [1,0,0,0,0,0|1,0,2]=4 15 B12R0.248 C=CCCCCCCCC(=O)OC CS-0197689 [1,0,0,0,0,0|0,0,2]=3 16 B12R0.248 CCCCCCCCCC(=O)NN CS-0318324 [1,0,0,0,0,0|2,0,0]=3 17 B12R0.248 CCCCCCCCCC(=O)OC CS-W016888 [1,0,0,0,0,0|0,0,0]=1 18 B12R0.248 CCCCCCCCCC(=O)O[Na] CS-0034995 [1,0,0,0,0,0|1,0,0]=2 19 B12R0.248 CCCCCCCCOC(=O)CN CS-W013080 [1,0,0,0,0,0|2,0,0]=3 20 B12R0.248 COC(=O)CCCCCCCCBr CS-0129031 [1,0,0,0,0,0|1,0,0]=2 21 B12R0.248 COC(=O)CCCCCCCCO CS-W016785 [1,0,0,0,0,0|1,0,0]=2 22 B12R0.248 COC(=O)CCOCCOCCO CS-0114948 [1,0,0,0,0,0|3,0,0]=4 23 B14R0.1 CCOC(=O)CCCCCC(=O)OCC CS-W014842 [0,1,0,0,0,0|1,0,1]=3 24 B14R0.393 CCCCCCCCCCC(=O)OCC CS-W014923 [0,1,0,0,0,0|0,0,0]=1 25 B14R0.393 CCOC(=O)CCCCCCCCCBr CS-0001454 [0,1,0,0,0,0|0,0,0]=1 26 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,0,0,1,0,0|2,0,0]=3 27 B14R1.216 CCCCCCCCN1CCCC1=O CS-W015668 [0,0,0,1,0,0|2,0,0]=3 28 B14R1.622 CCOC(=O)C1CCCCCCC1=O CS-0214857 [0,0,0,1,0,0|1,0,1]=3 29 B14R1.4408 O=C1CCCCCCCCCCCN1 CS-0313348 [0,0,0,1,0,0|1,0,0]=2 30 B11R0.3 CCCCCCCCCCCBr CS-0085449 [2,0,0,0,0,0|1,0,1]=4 31 B11R0.3 CCCCCCCCCCCC CS-0152244 [2,0,0,0,0,0|0,0,1]=3 32 B11R0.3 CCCCCCCCCCCO CS-W004292 [2,0,0,0,0,0|1,0,1]=4 33 B11R0.3 CCNCCCCCCNCC CS-0187571 [2,0,0,0,0,0|2,0,0]=4 34 B11R0.4 CCCCCCCC(=O)OCC CS-W016021 [2,0,0,0,0,0|0,0,0]=2 35 B11R0.4 CCOC(=O)CCCCCCBr CS-W008245 [2,0,0,0,0,0|1,0,0]=3 36 B11R0.4 CCOC(=O)CCCCCCN CS-0028472 [2,0,0,0,0,0|1,0,0]=3 37 B11R0.40 CCCCCCCCC(=O)O[Na] CS-0185612 [2,0,0,0,0,0|1,0,0]=3 38 B11R0.40 CCCCCC\C=C\C(=O)OC CS-0152302 [2,0,0,0,0,0|0,0,2]=4 39 B11R0.40 COC(=O)CCCCCCCBr CS-0129057 [2,0,0,0,0,0|1,0,0]=3 40 B11R0.40 COC(=O)CCCCCCCN CS-0129029 [2,0,0,0,0,0|1,0,0]=3 41 B11R0.148 C#CCCCCCCCC(=O)O CS-0143674 [2,0,0,0,0,0|0,0,2]=4 42 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [2,0,0,0,0,0|0,0,0]=2 43 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [2,0,0,0,0,0|0,0,0]=2 44 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [2,0,0,0,0,0|1,0,0]=3 45 B11R0.148 CCCCCCC\C=C\C(=O)O CS-0534 [2,0,0,0,0,0|0,0,2]=4 46 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [2,0,0,0,0,0|1,0,0]=3 47 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [2,0,0,0,0,0|1,0,0]=3 48 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [2,0,0,0,0,0|1,0,0]=3 49 B13R0.88 CCOC(=O)CCCCCCC(=O)O CS-0446113 [1,1,0,0,0,0|1,0,1]=4 50 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl CS-W006088 [1,1,0,0,0,0|1,0,0]=3 51 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [1,1,0,0,0,0|1,0,1]=4 52 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [1,1,0,0,0,0|1,0,1]=4 53 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [1,1,0,0,0,0|1,0,1]=4 54 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [1,1,0,0,0,0|1,0,1]=4 55 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [1,1,0,0,0,0|1,0,1]=4 56 B13R0.150 CCCCCCCCCC(=O)N(C)C CS-0152261 [1,1,0,0,0,0|1,0,0]=3 57 B13R0.201 COC(=O)CCCCCCC(=O)OC CS-0150695 [1,1,0,0,0,0|1,0,1]=4 58 B13R0.202 COC(=O)CCCCCCCC(=O)O CS-0150694 [1,1,0,0,0,0|1,0,1]=4 59 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC CS-0311833 [1,1,0,0,0,0|0,0,0]=2 60 B13R0.412 CCCCCCCCCC(OC)OC CS-0589485 [1,1,0,0,0,0|0,0,2]=4 61 B15R0.408 CCOC(=O)CCCCCCC(=O)OCC CS-0151581 [0,2,0,0,0,0|0,0,1]=3 62 B15R0.3232 CC(C)(C)OC(=O)CCCCCCCCBr CS-0160095 [0,2,0,0,0,0|1,0,0]=3 63 B15R0.3232 CC(C)(C)OC(=O)CCCCCCCCN CS-0375937 [0,2,0,0,0,0|1,0,0]=3 64 B15R0.3232 CC(C)(C)OC(=O)NCCCCCCCBr CS-0090444 [0,2,0,0,0,0|2,0,0]=4 65 B15R0.3232 CC(C)(C)OC(=O)NCCCCCCCN CS-0042235 [0,2,0,0,0,0|2,0,0]=4 66 B15R0.3232 CC(C)(C)OC(=O)NCCCCCCCO CS-0160058 [0,2,0,0,0,0|2,0,0]=4 67 B15R0.366 CCCCCCCCCCCC(=O)OCC CS-W010400 [0,2,0,0,0,0|0,0,0]=2 68 B15R0.366 CCOC(=O)CCCCCCCCCCBr CS-W014552 [0,2,0,0,0,0|0,0,0]=2 69 B13R1.42 CCOC(=O)CCN1CCOCC1 CS-0038645 [1,0,0,1,0,0|2,0,0]=4 70 B13R1.42 CCOC(=O)CNC1CCCCC1 CS-0348181 [1,0,0,1,0,0|1,0,0]=3 71 B13R1.42 CCOC(=O)COC1CCCCO1 CS-0151565 [1,0,0,1,0,0|2,0,0]=4 72 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [1,0,0,1,0,0|1,0,0]=3 73 B13R1.463 CCOC(=O)C1CCCCCC1=O CS-0099478 [1,0,0,1,0,0|1,0,1]=4 74 B13R1.470 CCOC(=O)CC1CCCCC1=O CS-0132655 [1,0,0,1,0,0|1,0,1]=4 75 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [1,0,0,1,0,0|1,0,0]=3 76 B15R2.74812 [C@@H]12CCC=CCC[C@@H]1[C@H]2C(=O)OCC CS-0060687 [0,0,0,2,0,0|0,0,2]=4