0 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O HR140581 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O HR101908 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR138243 [0,0,0,0,0,0|0,0,2]=2 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR144324 [0,0,0,0,0,0|0,0,2]=2 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR145239 [0,0,0,0,0,0|0,0,2]=2 5 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR145575 [0,0,0,0,0,0|0,0,2]=2 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR101123 [0,0,0,0,0,0|0,0,3]=3 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR121517 [0,0,0,0,0,0|0,0,3]=3 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR123851 [0,0,0,0,0,0|0,0,3]=3 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR126815 [0,0,0,0,0,0|0,0,3]=3 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127083 [0,0,0,0,0,0|0,0,3]=3 11 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127344 [0,0,0,0,0,0|0,0,3]=3 12 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127622 [0,0,0,0,0,0|0,0,3]=3 13 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127880 [0,0,0,0,0,0|0,0,3]=3 14 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR128152 [0,0,0,0,0,0|0,0,3]=3 15 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR128370 [0,0,0,0,0,0|0,0,3]=3 16 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR130513 [0,0,0,0,0,0|0,0,3]=3 17 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR133588 [0,0,0,0,0,0|0,0,3]=3 18 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR134479 [0,0,0,0,0,0|0,0,3]=3 19 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR134542 [0,0,0,0,0,0|0,0,3]=3 20 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O HR137655 [0,0,0,0,0,0|1,0,2]=3 21 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl HR120714 [0,0,0,0,0,0|2,0,2]=4 22 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O HR100392 [0,0,0,0,0,0|2,0,2]=4 23 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl HR127025 [0,0,0,0,0,0|1,0,0]=1 24 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR127279 [0,0,0,0,0,0|0,0,0]=0 25 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR129510 [0,0,0,0,0,0|0,0,0]=0 26 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR130817 [0,0,0,0,0,0|0,0,0]=0 27 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR133708 [0,0,0,0,0,0|0,0,0]=0 28 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR144981 [0,0,0,0,0,0|0,0,0]=0 29 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR145622 [0,0,0,0,0,0|0,0,0]=0 30 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR100130 [0,0,0,0,0,0|0,0,1]=1 31 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR101056 [0,0,0,0,0,0|0,0,1]=1 32 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR126554 [0,0,0,0,0,0|0,0,1]=1 33 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR137911 [0,0,0,0,0,0|0,0,1]=1 34 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR139269 [0,0,0,0,0,0|0,0,1]=1 35 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR145559 [0,0,0,0,0,0|0,0,1]=1 36 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(N)=O HR137407 [0,0,0,0,0,0|1,0,0]=1 37 B19R0.149 CCCCCC\C=C\C=C\CCCCCCCC(=O)O HR129427 [0,0,0,0,0,0|0,0,2]=2 38 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)Cl HR145391 [0,0,0,0,0,0|1,0,2]=3 39 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O HR126897 [0,0,0,0,0,0|0,0,2]=2 40 B19R0.149 CCCCC\C=C\C\C=C\CC\C=C\CCCC(=O)O HR127159 [0,0,0,0,0,0|0,0,4]=4 41 B19R0.149 CCCCC\C=C\C\C=C\C\C=C\CCCCC(=O)O HR137454 [0,0,0,0,0,0|0,0,4]=4 42 B19R0.149 CC\C=C\C\C=C\C\C=C\CCCCCCCC(=O)O HR128656 [0,0,0,0,0,0|0,0,4]=4 43 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O HR141002 [1,0,0,0,0,0|0,0,1]=2 44 B18R0.221 CCCCCCCCCCCCCCCCCCO HR137527 [1,0,0,0,0,0|0,0,3]=4 45 B18R0.221 CCCCCCCC\C=C\CCCCCCCC#N HR101322 [1,0,0,0,0,0|1,0,1]=3 46 B18R0.221 CCCCCCCC\C=C\CCCCCCCCN HR101587 [1,0,0,0,0,0|1,0,1]=3 47 B18R0.221 CCCCC\C=C\C\C=C\CCCCCCCCO HR107660 [1,0,0,0,0,0|0,0,3]=4 48 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O HR127513 [0,1,0,0,0,0|0,0,2]=3 49 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] HR141993 [0,1,0,0,0,0|0,0,3]=4 50 B20R0.90 CCCCCCC(O)C\C=C\CCCCCCCC(=O)O HR112322 [0,1,0,0,0,0|0,0,0]=1 51 B20R0.90 CCCCCCC(O)C\C=C\CCCCCCCC(=O)O HR129045 [0,1,0,0,0,0|0,0,0]=1 52 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC HR124006 [0,1,0,0,0,0|0,0,2]=3 53 B20R0.3034 CCCCCCCC\C=C\CCCCCCCC(=O)OC HR124969 [0,1,0,0,0,0|0,0,0]=1 54 B20R0.3034 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC HR144785 [0,1,0,0,0,0|0,0,2]=3 55 B20R0.31940 CCCCCCCC\C=C\CCCCCCCCN(C)C HR140440 [0,1,0,0,0,0|3,0,0]=4 56 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 HR114580 [0,0,0,1,0,0|0,0,2]=3 57 B17R0.43 CCCCCCCCCCCCCCCC(=O)O HR123420 [2,0,0,0,0,0|0,0,0]=2 58 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] HR142269 [2,0,0,0,0,0|0,0,1]=3 59 B17R0.43 CCCCCCCCCCCCCCCC(O)=S HR126353 [2,0,0,0,0,0|0,1,0]=3 60 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl HR132503 [2,0,0,0,0,0|2,0,0]=4 61 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O HR115715 [2,0,0,0,0,0|0,0,0]=2 62 B17R0.117 C=CCCCCCCCCCCCCCCCC HR132928 [2,0,0,0,0,0|1,0,1]=4 63 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC HR100510 [1,1,0,0,0,0|0,0,1]=3 64 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O HR128527 [0,2,0,0,0,0|0,0,2]=4 65 B21R0.21192 CCCCCCC(O)CCCCCCCCCCC(=O)OC HR145672 [0,2,0,0,0,0|0,0,2]=4 66 B21R0.21192 CCCCCCC(O)C\C=C\CCCCCCCC(=O)OC HR139046 [0,2,0,0,0,0|0,0,0]=2 67 B21R0.21192 CCCCCCC(O)C\C=C\CCCCCCCC(=O)OC HR145219 [0,2,0,0,0,0|0,0,0]=2 68 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCO HR123912 [0,2,0,0,0,0|0,0,2]=4 69 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC HR144302 [0,2,0,0,0,0|0,0,2]=4 70 B21R0.2907 CCCCCCCC\C=C\CCCCCCCC(=O)OCC HR122622 [0,2,0,0,0,0|0,0,0]=2 71 B21R0.2907 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC HR134243 [0,2,0,0,0,0|0,0,2]=4 72 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O HR124946 [0,2,0,0,0,0|0,0,2]=4 73 B21R0.81 CCCCCCCCCCCCCCCCC\C=C\C(=O)O HR123145 [0,2,0,0,0,0|0,0,2]=4 74 B21R0.81 CCCCCCCC\C=C\CCCCCCCCOC(C)=O HR101516 [0,2,0,0,0,0|1,0,0]=3 75 B21R0.9014 O=C(O)CCCCCCC\C=C\CCCCCCCC(=O)O HR101755 [0,2,0,0,0,0|0,0,1]=3