0 B13R1.27 CCCCCCCC1=NNC(=S)O1 HR135684 [0,0,0,0,0,0|2,1,1]=4 1 B13R1.27 CCCCCCCC1CCC(=O)O1 HR128195 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.27 CCCCCCCC1CCC(=O)O1 HR137523 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.37 CCCCCCCC1=CC=CO1 HR129439 [1,0,0,0,0,0|0,0,3]=4 4 B14R1.122 CCCCCCCCC1CCC(=O)O1 HR131307 [0,1,0,0,0,0|0,0,0]=1 5 B14R1.122 CCCCCCCCC1OCC(C)O1 HR108784 [0,1,0,0,0,0|2,0,1]=4 6 B12R0.234 C=CCCCCCCCCC(=O)Cl HR101878 [0,0,1,0,0,0|1,0,2]=4 7 B12R0.234 C=CCCCCCCCCC(=O)Cl HR144809 [0,0,1,0,0,0|1,0,2]=4 8 B12R0.234 C=CCCCCCCCCC(=O)O HR135063 [0,0,1,0,0,0|0,0,2]=3 9 B12R0.234 C=CCCCCCCCCC(=O)[O-] HR125768 [0,0,1,0,0,0|0,0,3]=4 10 B12R0.234 CC(=O)OCCCCCCCCBr HR116347 [0,0,1,0,0,0|3,0,0]=4 11 B12R0.234 CCCCCCCCCCB(O)O HR112887 [0,0,1,0,0,0|1,0,1]=3 12 B12R0.234 CCCCCCCCCCC(=O)Cl HR103738 [0,0,1,0,0,0|1,0,0]=2 13 B12R0.234 CCCCCCCCCCC(=O)O HR117809 [0,0,1,0,0,0|0,0,0]=1 14 B12R0.234 CCCCCCCCCCN(C)C HR128838 [0,0,1,0,0,0|3,0,0]=4 15 B12R0.234 CCCCCCCCCOC(C)=O HR141094 [0,0,1,0,0,0|2,0,0]=3 16 B12R0.234 CCCCCCC\C=C\CC(C)=O HR112059 [0,0,1,0,0,0|1,0,2]=4 17 B12R0.234 O=C(O)CCCCCCCCCBr HR123779 [0,0,1,0,0,0|1,0,0]=2 18 B12R0.234 O=C(O)CCCCCCCCCO HR124047 [0,0,1,0,0,0|1,0,0]=2 19 B12R0.234 O=C(O)\C=C\CCCCCCCO HR135287 [0,0,1,0,0,0|1,0,2]=4 20 B12R0.234 O=C(O)\C=C\CCCCCCCO HR136848 [0,0,1,0,0,0|1,0,2]=4 21 B12R0.248 CCCCCCCCCC(=O)OC HR100694 [0,0,1,0,0,0|2,0,0]=3 22 B12R0.248 CCCCCCCCOC(=O)CC HR140904 [0,0,1,0,0,0|0,0,0]=1 23 B12R1.62 CCCCCCCC1CC(=O)O1 HR131577 [0,0,0,0,1,0|0,0,0]=1 24 B11R0.148 C=CCCCCCCCC(=O)O HR100560 [1,0,1,0,0,0|0,0,2]=4 25 B11R0.148 CCCCCCCCCB(O)O HR124303 [1,0,1,0,0,0|1,0,1]=4 26 B11R0.148 CCCCCCCCCC(=O)Cl HR134539 [1,0,1,0,0,0|1,0,0]=3 27 B11R0.148 CCCCCCCCCC(=O)O HR134532 [1,0,1,0,0,0|0,0,0]=2 28 B11R0.148 CCCCCCCCCC(C)=O HR122893 [1,0,1,0,0,0|1,0,0]=3 29 B11R0.148 CCCCCCCCCC(C)O HR138194 [1,0,1,0,0,0|1,0,1]=4 30 B11R0.148 CCCCCCCCOC(=O)Cl HR136604 [1,0,1,0,0,0|1,0,0]=3 31 B11R0.148 CCCCCCCCOC(C)=O HR128593 [1,0,1,0,0,0|0,0,0]=2 32 B11R0.148 CCCCCCCCSC(=O)Cl HR106031 [1,0,1,0,0,0|1,1,0]=4 33 B11R0.148 CCCC\C=C\CCCC(=O)O HR126775 [1,0,1,0,0,0|0,0,2]=4 34 B11R0.148 CCCC\C=C\CCCC(=O)O HR134811 [1,0,1,0,0,0|0,0,2]=4 35 B11R0.148 CCOCCOCCOC(C)=O HR131280 [1,0,1,0,0,0|2,0,0]=4 36 B11R0.124 CCCCCCCC(OC)OC HR138813 [1,0,1,0,0,0|1,0,1]=4 37 B11R0.3 C=CCCCCCCCCC=O HR122631 [1,0,1,0,0,0|0,0,2]=4 38 B11R0.3 C=CCCCCCCCCCBr HR106670 [1,0,1,0,0,0|2,0,0]=4 39 B11R0.3 C=CCCCCCCCCCC HR132651 [1,0,1,0,0,0|1,0,0]=3 40 B11R0.3 C=CCCCCCCCCCCl HR141276 [1,0,1,0,0,0|2,0,0]=4 41 B11R0.3 CCCCCCCCCCC=O HR139744 [1,0,1,0,0,0|0,0,0]=2 42 B11R0.3 CCCCCCCCCCCBr HR134996 [1,0,1,0,0,0|1,0,1]=4 43 B11R0.3 CCCCCCCCCCCC HR136868 [1,0,1,0,0,0|1,0,1]=4 44 B11R0.3 CCCCCCCCCCCCl HR113982 [1,0,1,0,0,0|1,0,1]=4 45 B11R0.3 CCCCCCCCCCCO HR142946 [1,0,1,0,0,0|0,0,1]=3 46 B11R0.3 CCCCCCCCCCCS HR121162 [1,0,1,0,0,0|0,1,1]=4 47 B11R0.3 CCCCCCCC\C=C\C=O HR113538 [1,0,1,0,0,0|0,0,2]=4 48 B11R0.3 CCCCCCCC\C=C\C=O HR127942 [1,0,1,0,0,0|0,0,2]=4 49 B11R0.3 CCCCCCCC\C=C\C=O HR145487 [1,0,1,0,0,0|0,0,2]=4 50 B11R0.3 OCCCCCCCCCCBr HR116370 [1,0,1,0,0,0|1,0,1]=4 51 B11R0.3 OCCCCCCCCCCO HR122374 [1,0,1,0,0,0|1,0,1]=4 52 B11R0.3 [CH2]CCCCCCCCCCC HR143124 [1,0,1,0,0,0|1,0,1]=4 53 B11R1.27 CCCCCC1C=CC(=O)O1 HR118804 [2,0,0,0,0,0|0,0,2]=4 54 B13R0.65 CCCCCCCC(OCC)OCC HR103687 [0,1,1,0,0,0|1,0,1]=4 55 B13R0.54 CCCCCCCCCCCC(=O)O HR127301 [0,1,1,0,0,0|0,0,0]=2 56 B13R0.54 CCCCCCCCCCCC(=O)O HR130279 [0,1,1,0,0,0|0,0,0]=2 57 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR101213 [0,1,1,0,0,0|0,0,1]=3 58 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR101732 [0,1,1,0,0,0|0,0,1]=3 59 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR110772 [0,1,1,0,0,0|0,0,1]=3 60 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR123306 [0,1,1,0,0,0|0,0,1]=3 61 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR134494 [0,1,1,0,0,0|0,0,1]=3 62 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR138770 [0,1,1,0,0,0|0,0,1]=3 63 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR145601 [0,1,1,0,0,0|0,0,1]=3 64 B13R0.54 CCCCCCCCCCCC(C)=O HR137937 [0,1,1,0,0,0|1,0,0]=3 65 B13R0.54 CCCCCCCCCCCC(C)O HR119004 [0,1,1,0,0,0|1,0,1]=4 66 B13R0.54 CCCCCCCCCCCC(N)=O HR139461 [0,1,1,0,0,0|1,0,0]=3 67 B13R0.54 CCCCCCCCCCOC(C)=O HR144588 [0,1,1,0,0,0|1,0,0]=3 68 B13R0.54 CCCCCCCCC\C=C\C(=O)O HR145698 [0,1,1,0,0,0|0,0,1]=3 69 B13R0.54 NCCCCCCCCCCC(=O)O HR135586 [0,1,1,0,0,0|0,0,0]=2 70 B13R0.54 O=C(O)CCCCCCCCCCBr HR135855 [0,1,1,0,0,0|0,0,0]=2 71 B13R0.147 C=CC(O)CCCCCCCCCC LEXF01905 [0,1,1,0,0,0|1,0,1]=4 72 B13R0.147 C=CCCCCCCCCC(=O)OC HR126023 [0,1,1,0,0,0|0,0,2]=4 73 B13R0.147 CCCCCCCCCCC(=O)OC HR105374 [0,1,1,0,0,0|0,0,0]=2 74 B13R0.147 CCCCCCCCCCC(O)CO HR100286 [0,1,1,0,0,0|0,0,2]=4 75 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR115334 [0,1,1,0,0,0|1,0,1]=4 76 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR127424 [0,1,1,0,0,0|1,0,1]=4 77 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR136307 [0,1,1,0,0,0|1,0,1]=4 78 B13R0.179 O=C([O-])CCCCCCCCC(=O)O HR111169 [0,1,1,0,0,0|1,0,1]=4 79 B13R0.202 COC(=O)CCCCCCCC(=O)O HR148820 [0,1,1,0,0,0|1,0,1]=4 80 B13R0.280 CCCCCCCCCCP(=O)(O)O HR108277 [0,1,1,0,0,0|1,0,0]=3 81 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] HR117255 [0,1,1,0,0,0|1,0,1]=4 82 B13R0.2 CCCCCCCCCC(=O)OCC HR135436 [0,1,1,0,0,0|1,0,0]=3 83 B13R0.2 CCCCCCCCOC(=O)CC#N HR143223 [0,1,1,0,0,0|0,0,1]=3 84 B13R0.2 CCCCCCCCOC(=O)CCC HR143618 [0,1,1,0,0,0|0,0,0]=2 85 B13R0.2 CCCCCCC\C=C\C(=O)OCC HR139858 [0,1,1,0,0,0|1,0,1]=4 86 B13R1.654 CCCCCCCC1CCCC1=O HR139354 [1,1,0,0,0,0|1,0,1]=4 87 B13R1.5437 CCCCCCCC1(C)CC(=O)O1 HR131542 [0,1,0,0,1,0|0,0,0]=2 88 B15R1.34 CCCCCCCCCC1CCC(=O)O1 HR114905 [0,2,0,0,0,0|0,0,0]=2 89 B13R1.279 OC1CCCCCCCCCCC1 HR100123 [0,0,1,1,0,0|1,0,1]=4 90 B13R1.659 CCCCCCCCCCC1CO1 HR142181 [0,0,1,1,0,0|1,0,1]=4 91 B11R1.78 CCCCCCC1CC(=O)O1 HR122317 [1,0,0,0,1,0|0,0,0]=2