0 B18R0.176 CC(C)CCCCCCCCCCCCCCCO HR131813 [0,0,0,0,0,0|2,0,1]=3 1 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O HR141002 [0,0,0,0,0,0|1,0,0]=1 2 B18R0.176 CCCCCCCCCCCCCCCCN(C)C HR121683 [0,0,0,0,0,0|4,0,0]=4 3 B17R0.43 CCCCCCCCCCCCCCCC(=O)O HR123420 [1,0,0,0,0,0|0,0,0]=1 4 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] HR142269 [1,0,0,0,0,0|0,0,1]=2 5 B17R0.43 CCCCCCCCCCCCCCCC(C)C HR101499 [1,0,0,0,0,0|2,0,1]=4 6 B17R0.43 CCCCCCCCCCCCCCCC(O)=S HR126353 [1,0,0,0,0,0|0,1,0]=2 7 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl HR132503 [1,0,0,0,0,0|2,0,0]=3 8 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O HR115715 [1,0,0,0,0,0|0,0,2]=3 9 B17R0.117 C=CCCCCCCCCCCCCCCCC HR132928 [1,0,0,0,0,0|2,0,0]=3 10 B17R0.117 CCCCCCCCCCCCCCCCCBr HR142660 [1,0,0,0,0,0|2,0,1]=4 11 B17R0.117 CCCCCCCCCCCCCCCCCC HR144500 [1,0,0,0,0,0|2,0,1]=4 12 B17R0.117 CCCCCCCCCCCCCCCCCN HR132868 [1,0,0,0,0,0|2,0,1]=4 13 B17R0.117 OCCCCCCCCCCCCCCCCBr HR123623 [1,0,0,0,0,0|1,0,1]=3 14 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC HR100510 [0,1,0,0,0,0|1,0,0]=2 15 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O HR140581 [0,1,0,0,0,0|1,0,0]=2 16 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O HR101908 [0,1,0,0,0,0|1,0,1]=3 17 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR138243 [0,1,0,0,0,0|1,0,0]=2 18 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR144324 [0,1,0,0,0,0|1,0,0]=2 19 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR145239 [0,1,0,0,0,0|1,0,0]=2 20 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR145575 [0,1,0,0,0,0|1,0,0]=2 21 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR101123 [0,1,0,0,0,0|1,0,1]=3 22 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR121517 [0,1,0,0,0,0|1,0,1]=3 23 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR123851 [0,1,0,0,0,0|1,0,1]=3 24 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR126815 [0,1,0,0,0,0|1,0,1]=3 25 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127083 [0,1,0,0,0,0|1,0,1]=3 26 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127344 [0,1,0,0,0,0|1,0,1]=3 27 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127622 [0,1,0,0,0,0|1,0,1]=3 28 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127880 [0,1,0,0,0,0|1,0,1]=3 29 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR128152 [0,1,0,0,0,0|1,0,1]=3 30 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR128370 [0,1,0,0,0,0|1,0,1]=3 31 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR130513 [0,1,0,0,0,0|1,0,1]=3 32 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR133588 [0,1,0,0,0,0|1,0,1]=3 33 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR134479 [0,1,0,0,0,0|1,0,1]=3 34 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR134542 [0,1,0,0,0,0|1,0,1]=3 35 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O HR137655 [0,1,0,0,0,0|2,0,0]=3 36 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl HR120714 [0,1,0,0,0,0|2,0,0]=3 37 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O HR100392 [0,1,0,0,0,0|2,0,0]=3 38 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl HR127025 [0,1,0,0,0,0|2,0,1]=4 39 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR127279 [0,1,0,0,0,0|1,0,1]=3 40 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR129510 [0,1,0,0,0,0|1,0,1]=3 41 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR130817 [0,1,0,0,0,0|1,0,1]=3 42 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR133708 [0,1,0,0,0,0|1,0,1]=3 43 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR144981 [0,1,0,0,0,0|1,0,1]=3 44 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR145622 [0,1,0,0,0,0|1,0,1]=3 45 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR100130 [0,1,0,0,0,0|1,0,2]=4 46 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR101056 [0,1,0,0,0,0|1,0,2]=4 47 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR126554 [0,1,0,0,0,0|1,0,2]=4 48 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR137911 [0,1,0,0,0,0|1,0,2]=4 49 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR139269 [0,1,0,0,0,0|1,0,2]=4 50 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR145559 [0,1,0,0,0,0|1,0,2]=4 51 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(N)=O HR137407 [0,1,0,0,0,0|2,0,1]=4 52 B19R0.443 O=C(O)CCCCCCCCCCCCCCC(=O)O HR124185 [0,1,0,0,0,0|0,0,1]=2 53 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl HR125222 [0,1,0,0,0,0|2,0,1]=4 54 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 HR100317 [0,0,0,1,0,0|2,0,1]=4 55 B16R0.274 CCCCCCCCCCCCCCC(=O)O HR142276 [2,0,0,0,0,0|0,0,0]=2 56 B16R0.303 CCCCCCCCCCCCCCCC#N HR145628 [2,0,0,0,0,0|1,0,1]=4 57 B16R0.303 CCCCCCCCCCCCCCCC=O HR127530 [2,0,0,0,0,0|0,0,0]=2 58 B16R0.303 CCCCCCCCCCCCCCCCBr HR136093 [2,0,0,0,0,0|1,0,1]=4 59 B16R0.303 CCCCCCCCCCCCCCCCC HR133683 [2,0,0,0,0,0|1,0,1]=4 60 B16R0.303 CCCCCCCCCCCCCCCCCl HR123859 [2,0,0,0,0,0|1,0,1]=4 61 B16R0.303 CCCCCCCCCCCCCCCCI HR132348 [2,0,0,0,0,0|1,0,1]=4 62 B16R0.303 CCCCCCCCCCCCCCCCN HR132495 [2,0,0,0,0,0|1,0,1]=4 63 B16R0.303 CCCCCCCCCCCCCCCCO HR125172 [2,0,0,0,0,0|0,0,1]=3 64 B16R0.303 CCCCCCCCCCCCCCCCS HR125583 [2,0,0,0,0,0|0,1,1]=4 65 B16R0.303 CCCCCCCCCCCCCCC[Mg]Br HR104511 [2,0,0,0,0,0|2,0,0]=4 66 B16R0.303 CCCCCCCCCCCCCCN=C=O HR107423 [2,0,0,0,0,0|1,0,1]=4 67 B16R0.303 CCCC\C=C\CCCCCCCCCC=O HR140248 [2,0,0,0,0,0|0,0,2]=4 68 B16R0.303 OCCCCCCCCCCCCCCCBr HR115790 [2,0,0,0,0,0|1,0,0]=3 69 B16R0.303 OCCCCCCCCCCCCCCCO HR108295 [2,0,0,0,0,0|0,0,0]=2 70 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC HR141321 [1,1,0,0,0,0|2,0,0]=4 71 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC HR122310 [1,1,0,0,0,0|0,0,0]=2 72 B18R0.171 CCCCCC\C=C\CCCCCCCC(=O)OC HR139556 [1,1,0,0,0,0|0,0,2]=4 73 B18R0.174 CCCCCCCCCCCCCCC(N)C(=O)O HR112221 [1,1,0,0,0,0|0,0,0]=2 74 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O HR137443 [1,1,0,0,0,0|0,0,1]=3 75 B18R0.221 CCCCCCCCCCCCCCCCCCO HR137527 [1,1,0,0,0,0|1,0,1]=4 76 B18R0.221 CCCCCCCCCCCCCCCCN=C=O HR107106 [1,1,0,0,0,0|1,0,1]=4 77 B20R0.31917 O=C(O)CCCCCCCC(O)C(O)CCCCCCO HR139738 [0,2,0,0,0,0|0,0,0]=2 78 B20R0.31917 O=C(O)CCCCCCCC(O)C(O)CCCCCCO HR144693 [0,2,0,0,0,0|0,0,0]=2 79 B20R0.3034 C=CC(=O)OCCCCCCCCCCCCCCCC HR141415 [0,2,0,0,0,0|2,0,0]=4 80 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC HR124006 [0,2,0,0,0,0|1,0,0]=3 81 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CBr HR148478 [0,2,0,0,0,0|2,0,0]=4 82 B20R0.3034 CCCCCCCC\C=C\CCCCCCCC(=O)OC HR124969 [0,2,0,0,0,0|1,0,1]=4 83 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O HR127513 [0,2,0,0,0,0|1,0,0]=3 84 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] HR141993 [0,2,0,0,0,0|1,0,1]=4 85 B20R0.90 CCCCCCC(O)C\C=C\CCCCCCCC(=O)O HR112322 [0,2,0,0,0,0|1,0,1]=4 86 B20R0.90 CCCCCCC(O)C\C=C\CCCCCCCC(=O)O HR129045 [0,2,0,0,0,0|1,0,1]=4 87 B18R1.13791 O=C1CCCCCC=CCCCCCCCCO1 HR101068 [1,0,0,1,0,0|0,0,2]=4 88 B18R1.13791 O=C1CCCCCC=CCCCCCCCCO1 HR138706 [1,0,0,1,0,0|0,0,2]=4 89 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 HR128465 [1,0,0,1,0,0|1,0,0]=3 90 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 HR141691 [1,0,0,1,0,0|1,0,0]=3 91 B18R1.21916 CCCCCCCCCCCCN1CCCC1=O HR133491 [1,0,0,1,0,0|2,0,0]=4 92 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 HR114580 [0,1,0,1,0,0|1,0,0]=3