0 B18R0.221 CCCCCCCCCCCCCCCCCC=O HY-W004307 [0,0,0,0,0,0|0,0,2]=2 1 B18R0.221 CCCCCCCCCCCCCCCCCCC HY-N7928 [0,0,0,0,0,0|1,0,0]=1 2 B18R0.221 CCCCCCCCCCCCCCCCCCO HY-Y1809 [0,0,0,0,0,0|0,0,0]=0 3 B18R0.221 CCCCCCCCCCCCCCCCCCO HY-Y1809R [0,0,0,0,0,0|0,0,0]=0 4 B18R0.221 CCCCCCCC\C=C/CCCCCCCCN HY-W011696 [0,0,0,0,0,0|1,0,2]=3 5 B18R0.221 CCCCC\C=C/C\C=C/CCCCCCCCO HY-W005627 [0,0,0,0,0,0|0,0,4]=4 6 B17R0.117 CCCCCCCCCCCCCCCCCC HY-N6600 [1,0,0,0,0,0|0,0,0]=1 7 B17R0.117 CCCCCCCCCCCCCCCCCO HY-W004296 [1,0,0,0,0,0|0,0,0]=1 8 B17R0.117 CCCCCCCCCCCCCOCCCO HY-B2106 [1,0,0,0,0,0|1,0,0]=2 9 B19R0.36 CCCCCCCCCCCCCCCCCCCC HY-W094847 [0,1,0,0,0,0|1,0,0]=2 10 B19R0.36 CCCCCCCCCCCCCCCCOCCO HY-W250466 [0,1,0,0,0,0|0,0,0]=1 11 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC HY-W004290 [0,1,0,0,0,0|2,0,1]=4 12 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O HY-W341997 [0,1,0,0,0,0|0,0,3]=4 13 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HY-B2219 [0,1,0,0,0,0|0,0,1]=2 14 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HY-B2219R [0,1,0,0,0,0|0,0,1]=2 15 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HY-W133900 [0,1,0,0,0,0|0,0,1]=2 16 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HY-W099569 [0,1,0,0,0,0|0,0,2]=3 17 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HY-Y1054 [0,1,0,0,0,0|0,0,2]=3 18 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O HY-W130610 [0,1,0,0,0,0|0,0,2]=3 19 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O HY-W130610R [0,1,0,0,0,0|0,0,2]=3 20 B19R0.149 CCCCCCCCCCC\C=C/CCCCC(=O)O HY-113362 [0,1,0,0,0,0|0,0,3]=4 21 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(=O)O HY-W342979 [0,1,0,0,0,0|0,0,3]=4 22 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O HY-W763560 [0,1,0,0,0,0|0,0,3]=4 23 B19R0.149 CCCCCCCC\C=C/CCCCCCC[13C](=O)O HY-N1446S [0,1,0,0,0,0|0,0,3]=4 24 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HY-113016 [0,1,0,0,0,0|0,0,3]=4 25 B19R0.149 CCCCCC\C=C/CCCCCCCCCC(=O)O HY-113427A [0,1,0,0,0,0|0,0,3]=4 26 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO HY-124282 [0,1,0,0,0,0|1,0,1]=3 27 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC HY-N2086 [0,1,0,0,0,0|2,0,1]=4 28 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC HY-N2086R [0,1,0,0,0,0|2,0,1]=4 29 B16R0.303 CCCCCCCCCCCCCCCC=O HY-W004305 [2,0,0,0,0,0|0,0,2]=4 30 B16R0.303 CCCCCCCCCCCCCCCCC HY-W131351 [2,0,0,0,0,0|0,0,0]=2 31 B16R0.303 CCCCCCCCCCCCCCCCN HY-W110707 [2,0,0,0,0,0|1,0,0]=3 32 B16R0.303 CCCCCCCCCCCCCCCCO HY-B1465 [2,0,0,0,0,0|0,0,0]=2 33 B16R0.303 CCCCCCCCCCCCCCCCO HY-B1465R [2,0,0,0,0,0|0,0,0]=2 34 B16R0.303 CCCCCCCCNCCCCCCCC HY-34419 [2,0,0,0,0,0|1,0,0]=3 35 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC HY-N1482 [1,1,0,0,0,0|1,0,1]=4 36 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O HY-W004284 [1,1,0,0,0,0|0,0,1]=3 37 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O HY-W004284R [1,1,0,0,0,0|0,0,1]=3 38 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O HY-139040 [1,1,0,0,0,0|1,0,1]=4 39 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO HY-W068212 [1,1,0,0,0,0|1,0,1]=4 40 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC HY-W127374 [0,2,0,0,0,0|1,0,1]=4 41 B20R0.2932 CCCCCCCCCCCCCCCCCCCCC HY-W089845 [0,2,0,0,0,0|1,0,0]=3 42 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO HY-W004263 [0,2,0,0,0,0|0,0,0]=2 43 B20R0.2932 CCCCCCCCCCNCCCCCCCCCC HY-W099525 [0,2,0,0,0,0|1,0,0]=3 44 B20R0.2932 CCCCCCCCOCCOCCOCCOCCO HY-W049715 [0,2,0,0,0,0|2,0,0]=4 45 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC HY-B1934 [0,2,0,0,0,0|0,0,1]=3 46 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)O[K] HY-W133986 [0,2,0,0,0,0|0,0,1]=3 47 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)O[Na] HY-W099570 [0,2,0,0,0,0|0,0,1]=3 48 B20R0.3034 [Li]OC(=O)CCCCCCCCCCCCCCCCC HY-W099571 [0,2,0,0,0,0|0,0,1]=3 49 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O HY-W004261 [0,2,0,0,0,0|0,0,0]=2 50 B20R0.31940 CCCCCCCC\C=C/CCCCCCCCC(=O)O HY-113450 [0,2,0,0,0,0|0,0,2]=4 51 B20R0.31940 CCCCCCCC\C=C\CCCCCCCCC(=O)O HY-W718357 [0,2,0,0,0,0|0,0,2]=4 52 B20R0.112 CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO HY-W019838 [0,2,0,0,0,0|0,0,0]=2 53 B20R0.112 CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO HY-101047 [0,2,0,0,0,0|0,0,2]=4 54 B20R0.112 CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO HY-W089922 [0,2,0,0,0,0|0,0,2]=4 55 B20R0.22320 CCCCCCCCCCCCCC(=O)OCC(O)CO HY-N2512 [0,2,0,0,0,0|1,0,1]=4 56 B20R0.32994 CCCCCCCCCCCCCCCC[N+](C)(C)CC HY-W099576 [0,2,0,0,0,0|2,0,0]=4 57 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O HY-W128156 [0,2,0,0,0,0|0,0,1]=3 58 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O HY-W127329 [0,2,0,0,0,0|0,0,1]=3 59 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(=O)O HY-116133 [0,2,0,0,0,0|0,0,1]=3 60 B20R0.9755 CCCCCCCCCCC(CO)CCCCCCCC HY-W040996 [0,2,0,0,0,0|1,0,0]=3 61 B18R1.1261 CCCCCCCCCCCCN1CCOCC1 HY-W612975 [1,0,0,1,0,0|2,0,0]=4 62 B20R1.3329 CCCCCCCCCCCCN1CCCCCC1=O HY-W009326 [0,1,0,1,0,0|0,0,2]=4