0 B19R0.149 C#CCCCC=CCC=CCCCCCCCC(=O)O MCULE-8464652713 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 C#CCCCCCCC=CCCCCCCCC(=O)O MCULE-1916928955 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O MCULE-7083652608 [0,0,0,0,0,0|0,0,4]=4 3 B19R0.149 C(=CCC=CCCCCCCCC(=O)[O-])CCCCC MCULE-1720910553 [0,0,0,0,0,0|0,0,3]=3 4 B19R0.149 C(=CCCC=CCCCCCCOC(=O)C)CCCC MCULE-7027874495 [0,0,0,0,0,0|2,0,2]=4 5 B19R0.149 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O MCULE-6594867113 [0,0,0,0,0,0|0,0,4]=4 6 B19R0.149 CCC=CCC=CCC=CCCCCCCCC(=O)O MCULE-8042162865 [0,0,0,0,0,0|0,0,4]=4 7 B19R0.149 CCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-1460805964 [0,0,0,0,0,0|0,0,4]=4 8 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O MCULE-9671518710 [0,0,0,0,0,0|0,0,2]=2 9 B19R0.149 CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O MCULE-6825958553 [0,0,0,0,0,0|0,0,4]=4 10 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl MCULE-6827945261 [0,0,0,0,0,0|1,0,2]=3 11 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)N MCULE-7860164761 [0,0,0,0,0,0|1,0,2]=3 12 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O MCULE-1893075589 [0,0,0,0,0,0|0,0,2]=2 13 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-] MCULE-5401047890 [0,0,0,0,0,0|0,0,3]=3 14 B19R0.149 CCCCC/C=C\C=C\C=C\CCCCCCC(=O)O MCULE-5088543212 [0,0,0,0,0,0|0,0,4]=4 15 B19R0.149 CCCCC/C=C\C=C\CCCCCCCCC(=O)O MCULE-3950099456 [0,0,0,0,0,0|0,0,4]=4 16 B19R0.149 CCCCC=CC=CC=CCCCCCCCC(=O)O MCULE-1298774481 [0,0,0,0,0,0|0,0,4]=4 17 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O MCULE-2741584353 [0,0,0,0,0,0|0,0,4]=4 18 B19R0.149 CCCCCC#CCC#CCCCCCCCC(=O)O MCULE-3102005270 [0,0,0,0,0,0|0,0,4]=4 19 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)O MCULE-7560777471 [0,0,0,0,0,0|0,0,2]=2 20 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-] MCULE-3471454739 [0,0,0,0,0,0|0,0,3]=3 21 B19R0.149 CCCCCC/C=C/CCCCCCCCCC(=O)O MCULE-6829224594 [0,0,0,0,0,0|0,0,4]=4 22 B19R0.149 CCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-4733251398 [0,0,0,0,0,0|0,0,4]=4 23 B19R0.149 CCCCCC=CC=CC=CCCCCCCC(=O)O MCULE-8937465994 [0,0,0,0,0,0|0,0,4]=4 24 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O MCULE-9350642069 [0,0,0,0,0,0|0,0,4]=4 25 B19R0.149 CCCCCC=CCC=CCC=CCCCCC(=O)O MCULE-8329957739 [0,0,0,0,0,0|0,0,4]=4 26 B19R0.149 CCCCCC=CCC=CCCC=CCCCC(=O)O MCULE-4170241546 [0,0,0,0,0,0|0,0,4]=4 27 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)Cl MCULE-8339630929 [0,0,0,0,0,0|1,0,2]=3 28 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)N MCULE-1749485522 [0,0,0,0,0,0|1,0,2]=3 29 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O MCULE-4653646367 [0,0,0,0,0,0|0,0,2]=2 30 B19R0.149 CCCCCCC=CC#CCCCCCCCC(=O)O MCULE-2923525160 [0,0,0,0,0,0|0,0,4]=4 31 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O MCULE-7336256238 [0,0,0,0,0,0|0,0,2]=2 32 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)[O-] MCULE-1021972744 [0,0,0,0,0,0|0,0,3]=3 33 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O MCULE-1673564563 [0,0,0,0,0,0|0,0,4]=4 34 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)N MCULE-5519396278 [0,0,0,0,0,0|1,0,0]=1 35 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [0,0,0,0,0,0|0,0,0]=0 36 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)Cl MCULE-5061148760 [0,0,0,0,0,0|1,0,0]=1 37 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)N MCULE-1236789578 [0,0,0,0,0,0|1,0,0]=1 38 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [0,0,0,0,0,0|0,0,0]=0 39 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-1498747483 [0,0,0,0,0,0|0,0,1]=1 40 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-4937469311 [0,0,0,0,0,0|0,0,1]=1 41 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [0,0,0,0,0,0|0,0,2]=2 42 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O MCULE-1324819009 [0,0,0,0,0,0|0,0,2]=2 43 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl MCULE-5110239318 [0,0,0,0,0,0|1,0,0]=1 44 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N MCULE-2101563329 [0,0,0,0,0,0|1,0,0]=1 45 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [0,0,0,0,0,0|0,0,0]=0 46 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-2893862044 [0,0,0,0,0,0|0,0,1]=1 47 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-4188975486 [0,0,0,0,0,0|0,0,1]=1 48 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [0,0,0,0,0,0|0,0,2]=2 49 B19R0.149 CCCCCCCCCCC/C=C\CCCCC(=O)O MCULE-7468359720 [0,0,0,0,0,0|0,0,4]=4 50 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O MCULE-8691030137 [0,0,0,0,0,0|0,0,4]=4 51 B19R0.149 CCCCCCCCCCCCCCCC=CC(=O)O MCULE-1870065641 [0,0,0,0,0,0|0,0,4]=4 52 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [0,0,0,0,0,0|1,0,2]=3 53 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [0,0,0,0,0,0|1,0,2]=3 54 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [0,0,0,0,0,0|1,0,2]=3 55 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [0,0,0,0,0,0|1,0,2]=3 56 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [0,0,0,0,0,0|0,0,2]=2 57 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [0,0,0,0,0,0|0,0,3]=3 58 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [0,0,0,0,0,0|0,0,3]=3 59 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [0,0,0,0,0,0|0,0,3]=3 60 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [0,0,0,0,0,0|0,0,3]=3 61 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C MCULE-6531755891 [0,0,0,0,0,0|2,0,2]=4 62 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N MCULE-8393504195 [0,0,0,0,0,0|2,0,2]=4 63 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C MCULE-2100485792 [0,0,0,0,0,0|2,0,2]=4 64 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl MCULE-4015597321 [0,0,0,0,0,0|2,0,2]=4 65 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [0,0,0,0,0,0|1,0,2]=3 66 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [0,0,0,0,0,0|1,0,1]=2 67 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [0,0,0,0,0,0|1,0,2]=3 68 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [0,0,0,0,0,0|1,0,2]=3 69 B18R0.176 C=C(C)CCCCCCCCCCCCCCCC MCULE-1892085325 [1,0,0,0,0,0|2,0,1]=4 70 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O MCULE-9537148876 [1,0,0,0,0,0|0,0,3]=4 71 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [1,0,0,0,0,0|0,0,2]=3 72 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [1,0,0,0,0,0|0,0,2]=3 73 B18R0.176 CCCCCCCCCCCCCCCCB(O)O MCULE-2099476935 [1,0,0,0,0,0|1,0,2]=4 74 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [1,0,0,0,0,0|1,0,1]=3 75 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [1,0,0,0,0,0|1,0,1]=3 76 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [1,0,0,0,0,0|0,0,1]=2 77 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [1,0,0,0,0,0|0,0,2]=3 78 B18R0.176 CCCCCCCCCCCCCCCCN(=O)=O MCULE-7589734060 [1,0,0,0,0,0|1,0,2]=4 79 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [1,0,0,0,0,0|2,0,1]=4 80 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [1,0,0,0,0,0|1,0,1]=3 81 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [1,0,0,0,0,0|1,0,1]=3 82 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [1,0,0,0,0,0|1,0,1]=3 83 B18R0.176 CCCCCCCCCCCCSCCCC(=O)N MCULE-1673663174 [1,0,0,0,0,0|2,0,1]=4 84 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [1,0,0,0,0,0|1,0,1]=3 85 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [1,0,0,0,0,0|1,0,1]=3 86 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [1,0,0,0,0,0|1,0,1]=3 87 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [1,0,0,0,0,0|1,0,1]=3 88 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [1,0,0,0,0,0|1,0,2]=4 89 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCC=O MCULE-4225998454 [1,0,0,0,0,0|0,0,2]=3 90 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCCO MCULE-9609584782 [1,0,0,0,0,0|0,0,3]=4 91 B18R0.221 CCCCCC=CCC=CCCCCCCCC=O MCULE-8122185913 [1,0,0,0,0,0|0,0,2]=3 92 B18R0.221 CCCCCC=CCC=CCCCCCCCCO MCULE-2050070328 [1,0,0,0,0,0|0,0,3]=4 93 B18R0.221 CCCCCCCC/C=C\CCCCCCCC=O MCULE-3882347276 [1,0,0,0,0,0|0,0,0]=1 94 B18R0.221 CCCCCCCC/C=C\CCCCCCCCBr MCULE-7059336133 [1,0,0,0,0,0|1,0,1]=3 95 B18R0.221 CCCCCCCC/C=C\CCCCCCCCN MCULE-9776233855 [1,0,0,0,0,0|1,0,1]=3 96 B18R0.221 CCCCCCCC/C=C\CCCCCCCCO MCULE-1321155051 [1,0,0,0,0,0|0,0,1]=2 97 B18R0.221 CCCCCCCCC=CCCCCCCCC=O MCULE-6432973422 [1,0,0,0,0,0|0,0,0]=1 98 B18R0.221 CCCCCCCCC=CCCCCCCCCBr MCULE-1599413369 [1,0,0,0,0,0|1,0,1]=3 99 B18R0.221 CCCCCCCCC=CCCCCCCCCCl MCULE-3153595635 [1,0,0,0,0,0|1,0,1]=3 100 B18R0.221 CCCCCCCCC=CCCCCCCCCN MCULE-8937925903 [1,0,0,0,0,0|1,0,1]=3 101 B18R0.221 CCCCCCCCC=CCCCCCCCCO MCULE-7776107404 [1,0,0,0,0,0|0,0,1]=2 102 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [1,0,0,0,0,0|0,0,2]=3 103 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [1,0,0,0,0,0|0,0,3]=4 104 B20R0.68 CCCCC/C=C\CC(=O)CCCCCCCCC(=O)O MCULE-3623822962 [0,1,0,0,0,0|0,0,3]=4 105 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-8826251310 [0,1,0,0,0,0|0,0,1]=2 106 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O MCULE-8431505935 [0,1,0,0,0,0|0,0,2]=3 107 B20R0.68 CCCCCCCC[C@H](O)/C=C/CCCCCCC(=O)O MCULE-2811502976 [0,1,0,0,0,0|0,0,2]=3 108 B20R0.68 CCCCCCCC[C@H](O)C=CCCCCCCC(=O)O MCULE-1316608323 [0,1,0,0,0,0|0,0,2]=3 109 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)O MCULE-1566577041 [0,1,0,0,0,0|0,0,3]=4 110 B20R0.90 CCCCCCC(O)CC=CCCCCCCCC(=O)O MCULE-9156595873 [0,1,0,0,0,0|0,0,0]=1 111 B20R0.90 CCCCCCC(O)CC=CCCCCCCCC(=O)[O-] MCULE-5146180349 [0,1,0,0,0,0|0,0,1]=2 112 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O MCULE-9965131742 [0,1,0,0,0,0|0,0,2]=3 113 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-3302391414 [0,1,0,0,0,0|0,0,3]=4 114 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-5748846792 [0,1,0,0,0,0|0,0,3]=4 115 B20R0.90 CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O MCULE-8991093142 [0,1,0,0,0,0|0,0,0]=1 116 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-9036760572 [0,1,0,0,0,0|0,0,0]=1 117 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-9159266494 [0,1,0,0,0,0|0,0,0]=1 118 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)[O-] MCULE-5859199839 [0,1,0,0,0,0|0,0,1]=2 119 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O MCULE-8568594657 [0,1,0,0,0,0|0,0,3]=4 120 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(=O)O MCULE-5539838856 [0,1,0,0,0,0|0,0,2]=3 121 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-4092969179 [0,1,0,0,0,0|0,0,2]=3 122 B20R0.3034 CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC MCULE-4142533371 [0,1,0,0,0,0|0,0,2]=3 123 B20R0.3034 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC MCULE-1089286417 [0,1,0,0,0,0|0,0,2]=3 124 B20R0.3034 CCCCCC=CCC=CCCCCCCCC(=O)OC MCULE-4399438587 [0,1,0,0,0,0|0,0,2]=3 125 B20R0.3034 CCCCCCC=CC=CCCCCCCCC(=O)OC MCULE-9043062815 [0,1,0,0,0,0|0,0,2]=3 126 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)OC MCULE-6969329015 [0,1,0,0,0,0|0,0,0]=1 127 B20R0.3034 CCCCCCCC/C=C\CCCCCCCC(=O)OC MCULE-4995415924 [0,1,0,0,0,0|0,0,0]=1 128 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)NO MCULE-4738313374 [0,1,0,0,0,0|0,0,0]=1 129 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC MCULE-8140747078 [0,1,0,0,0,0|0,0,0]=1 130 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC MCULE-5204951477 [0,1,0,0,0,0|1,0,2]=4 131 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN MCULE-7304182763 [0,1,0,0,0,0|1,0,2]=4 132 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [0,1,0,0,0,0|0,0,2]=3 133 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO MCULE-1486220691 [0,1,0,0,0,0|1,0,2]=4 134 B20R0.3037 CCCCC/C=C\C/C=C\CCCCCCC(O)C(=O)O MCULE-8113531498 [0,1,0,0,0,0|0,0,2]=3 135 B20R0.3037 CCCCCC=CCC=CCCCCCCC(O)C(=O)O MCULE-5221430707 [0,1,0,0,0,0|0,0,2]=3 136 B20R0.3037 CCCCCCCC/C=C/CCCCCCC(O)C(=O)O MCULE-6297531356 [0,1,0,0,0,0|0,0,0]=1 137 B20R0.3037 CCCCCCCC/C=C\CCCCCCC(O)C(=O)O MCULE-6413909495 [0,1,0,0,0,0|0,0,0]=1 138 B20R0.3037 CCCCCCCC/C=C\CCCCCCC(O)C(=O)[O-] MCULE-1818161232 [0,1,0,0,0,0|0,0,1]=2 139 B20R0.3037 CCCCCCCCC=CCCCCCCC(O)C(=O)O MCULE-1012353675 [0,1,0,0,0,0|0,0,0]=1 140 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O MCULE-2391452296 [0,1,0,0,0,0|0,0,2]=3 141 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)Cl MCULE-5415927928 [0,1,0,0,0,0|1,0,2]=4 142 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-9187669622 [0,1,0,0,0,0|0,0,2]=3 143 B20R0.3037 CCCCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-5489236535 [0,1,0,0,0,0|0,0,2]=3 144 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-2412559497 [0,1,0,0,0,0|0,0,2]=3 145 B20R0.10422 CCCCCCCCCCCC(=O)CCCCCC(=O)O MCULE-7546735332 [0,1,0,0,0,0|0,0,3]=4 146 B20R0.17440 CCCCCC=CC=CC(=O)CCCCCCCC(=O)O MCULE-6695168369 [0,1,0,0,0,0|0,0,3]=4 147 B20R0.17440 CCCCCCCCCC(=O)CCCCCCCC(=O)O MCULE-9953422548 [0,1,0,0,0,0|0,0,1]=2 148 B20R0.17440 CCCCCCCCCC(O)CCCCCCCC(=O)O MCULE-4076526032 [0,1,0,0,0,0|0,0,2]=3 149 B20R0.22238 CCCCCCCCCCCCC(O)CCCCC(=O)O MCULE-1743910978 [0,1,0,0,0,0|0,0,2]=3 150 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)C MCULE-4864635707 [0,1,0,0,0,0|1,0,2]=4 151 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)O MCULE-2714583803 [0,1,0,0,0,0|0,0,2]=3 152 B20R0.31940 CCCCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7761893081 [0,1,0,0,0,0|0,0,0]=1 153 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O MCULE-7486728155 [0,1,0,0,0,0|0,0,0]=1 154 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)C MCULE-6612200716 [0,1,0,0,0,0|1,0,2]=4 155 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl MCULE-8687950753 [0,1,0,0,0,0|1,0,2]=4 156 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N MCULE-5930779500 [0,1,0,0,0,0|1,0,2]=4 157 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O MCULE-3651545554 [0,1,0,0,0,0|0,0,2]=3 158 B20R0.31940 CCCCCCCCCCCCCCCCCOC(=O)C MCULE-9059316294 [0,1,0,0,0,0|1,0,2]=4 159 B20R0.31940 CCCCCCCCCCCCNCCCCCC(=O)O MCULE-2808072086 [0,1,0,0,0,0|0,0,2]=3 160 B20R0.31940 CCCCCCCNCCCCCCCCCCC(=O)O MCULE-1452338178 [0,1,0,0,0,0|0,0,2]=3 161 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCBr MCULE-1900787768 [0,1,0,0,0,0|0,0,2]=3 162 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO MCULE-7843488730 [0,1,0,0,0,0|0,0,2]=3 163 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCS MCULE-8278921645 [0,1,0,0,0,0|0,0,2]=3 164 B20R0.31968 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O MCULE-8147130899 [0,1,0,0,0,0|0,0,2]=3 165 B20R0.31968 CCCCCC/C=C\C=C\C(O)CCCCCCC(=O)O MCULE-2411705963 [0,1,0,0,0,0|0,0,2]=3 166 B20R0.31968 CCCCCC=CCC=CC(O)CCCCCCC(=O)O MCULE-2255729017 [0,1,0,0,0,0|0,0,2]=3 167 B20R0.32069 CCCCCCCC(O)/C=C/CCCCCCCC(=O)O MCULE-7928736271 [0,1,0,0,0,0|0,0,0]=1 168 B20R0.32069 CCCCCCCC(O)CCCCCCCCCC(=O)O MCULE-4849469492 [0,1,0,0,0,0|0,0,2]=3 169 B20R0.32990 CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O MCULE-1915937602 [0,1,0,0,0,0|0,0,3]=4 170 B20R0.32990 CCCCCC(=O)C=CC=CCCCCCCCC(=O)O MCULE-7056242351 [0,1,0,0,0,0|0,0,3]=4 171 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O MCULE-7351642049 [0,1,0,0,0,0|0,0,3]=4 172 B20R0.32990 CCCCCC(O)C=CC=CCCCCCCCC(=O)O MCULE-2851843624 [0,1,0,0,0,0|0,0,2]=3 173 B20R0.32990 CCCCCC(O)CCCCCCCCCCCC(=O)O MCULE-1833542033 [0,1,0,0,0,0|0,0,2]=3 174 B20R0.32990 CCCCC[C@@H](O)C=CC=CCCCCCCCC(=O)O MCULE-1362574554 [0,1,0,0,0,0|0,0,2]=3 175 B20R0.32990 CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O MCULE-7853168460 [0,1,0,0,0,0|0,0,2]=3 176 B20R0.32990 CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)O MCULE-6317284446 [0,1,0,0,0,0|0,0,2]=3 177 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O MCULE-8317997046 [0,1,0,0,0,0|0,0,2]=3 178 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 MCULE-8092098189 [0,0,0,1,0,0|0,0,2]=3 179 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 MCULE-6794732521 [0,0,0,1,0,0|0,0,2]=3 180 B20R1.58016 CCCCCCC1CCCC1CCCCCCC(=O)O MCULE-9548075936 [0,0,0,1,0,0|0,0,2]=3 181 B17R0.43 C#CCCCCC=CCCCCCCCC(=O)O MCULE-1049304823 [2,0,0,0,0,0|0,0,2]=4 182 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [2,0,0,0,0,0|0,0,2]=4 183 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [2,0,0,0,0,0|0,0,0]=2 184 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [2,0,0,0,0,0|2,0,0]=4 185 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [2,0,0,0,0,0|0,0,2]=4 186 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [2,0,0,0,0,0|0,0,2]=4 187 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [2,0,0,0,0,0|0,0,0]=2 188 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl MCULE-6281700163 [2,0,0,0,0,0|1,0,0]=3 189 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N MCULE-8315425906 [2,0,0,0,0,0|1,0,0]=3 190 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [2,0,0,0,0,0|0,0,0]=2 191 B17R0.43 CCCCCCC=CCCCCCCCC(=O)[O-] MCULE-3270578280 [2,0,0,0,0,0|0,0,1]=3 192 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [2,0,0,0,0,0|0,0,2]=4 193 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [2,0,0,0,0,0|0,0,0]=2 194 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [2,0,0,0,0,0|0,0,2]=4 195 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [2,0,0,0,0,0|0,0,2]=4 196 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [2,0,0,0,0,0|0,0,2]=4 197 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [2,0,0,0,0,0|0,0,2]=4 198 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [2,0,0,0,0,0|1,0,0]=3 199 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [2,0,0,0,0,0|1,0,0]=3 200 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [2,0,0,0,0,0|1,0,0]=3 201 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [2,0,0,0,0,0|0,0,0]=2 202 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [2,0,0,0,0,0|0,1,0]=3 203 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [2,0,0,0,0,0|0,0,1]=3 204 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [2,0,0,0,0,0|0,0,1]=3 205 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [2,0,0,0,0,0|0,0,1]=3 206 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [2,0,0,0,0,0|1,0,1]=4 207 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [2,0,0,0,0,0|2,0,0]=4 208 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [2,0,0,0,0,0|1,0,0]=3 209 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [2,0,0,0,0,0|2,0,0]=4 210 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [2,0,0,0,0,0|1,0,0]=3 211 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [2,0,0,0,0,0|1,0,0]=3 212 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [2,0,0,0,0,0|1,0,0]=3 213 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [2,0,0,0,0,0|1,0,0]=3 214 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [2,0,0,0,0,0|1,0,0]=3 215 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [2,0,0,0,0,0|1,0,1]=4 216 B17R0.117 CCCCCCCCC=CCCCCCCCC MCULE-6516744308 [2,0,0,0,0,0|0,0,1]=3 217 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [2,0,0,0,0,0|0,0,1]=3 218 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [2,0,0,0,0,0|0,0,2]=4 219 B19R0.35 CCCCCCCCCCCCCCC(O)CC(=O)O MCULE-6684061995 [1,1,0,0,0,0|0,0,1]=3 220 B19R0.59 CCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-4196802493 [1,1,0,0,0,0|0,0,1]=3 221 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC MCULE-2350131012 [1,1,0,0,0,0|0,0,2]=4 222 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [1,1,0,0,0,0|0,0,1]=3 223 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr MCULE-1850296129 [1,1,0,0,0,0|1,0,1]=4 224 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO MCULE-5067829702 [1,1,0,0,0,0|1,0,1]=4 225 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8575399975 [1,1,0,0,0,0|1,0,1]=4 226 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8723634142 [1,1,0,0,0,0|1,0,1]=4 227 B19R0.153 [C@@H](N)(COCCCCCCCCCCCCC)C(=O)O MCULE-4708837165 [1,1,0,0,0,0|1,0,1]=4 228 B19R0.153 [C@@H]([NH3+])(COCCCCCCCCCCCCC)C(=O)O MCULE-7338430342 [1,1,0,0,0,0|1,0,1]=4 229 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O MCULE-4598065479 [1,1,0,0,0,0|0,0,1]=3 230 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O MCULE-8035733316 [1,1,0,0,0,0|1,0,1]=4 231 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(=O)O MCULE-4781818208 [1,1,0,0,0,0|0,0,1]=3 232 B19R0.26214 CCCCCCCCCC(=O)CCCCCCC(=O)O MCULE-8979687298 [1,1,0,0,0,0|0,0,1]=3 233 B19R0.26214 CCCCCCCCCC(=O)NCCCCCC(=O)O MCULE-1740781832 [1,1,0,0,0,0|1,0,1]=4 234 B19R0.26214 CCCCCCCCCC(O)CCCCCCC(=O)O MCULE-2739435890 [1,1,0,0,0,0|0,0,1]=3 235 B19R0.26289 CCCCCCC(=O)CCCCCCCCCC(=O)O MCULE-8472999265 [1,1,0,0,0,0|0,0,2]=4 236 B19R0.26289 CCCCCCC(O)CCCCCCCCCC(=O)O MCULE-3978963802 [1,1,0,0,0,0|0,0,1]=3 237 B21R0.9111 CCCCCCCCC(Br)C(Br)CCCCCCCC(=O)O MCULE-7796523734 [0,2,0,0,0,0|0,0,2]=4 238 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O MCULE-1344194777 [0,2,0,0,0,0|0,0,2]=4 239 B21R0.10777 CCCCCCCCC(=O)CCCCCCCCC(=O)OC MCULE-5431651592 [0,2,0,0,0,0|0,0,1]=3 240 B21R0.10777 CCCCCCCCC(O)CCCCCCCCC(=O)OC MCULE-6562180210 [0,2,0,0,0,0|0,0,2]=4 241 B21R0.32823 CCCCCCCCC(O)/C=C/C(O)CCCCCC(=O)O MCULE-6062953634 [0,2,0,0,0,0|0,0,2]=4 242 B21R0.32823 CCCCCCCCC(O)C=CC(O)CCCCCC(=O)O MCULE-1006266068 [0,2,0,0,0,0|0,0,2]=4 243 B21R0.32823 CCCCCCCC[C@H](O)C=C[C@@H](O)CCCCCC(=O)O MCULE-5095005612 [0,2,0,0,0,0|0,0,2]=4 244 B21R0.36685 CCCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-9210864288 [0,2,0,0,0,0|0,0,1]=3 245 B21R0.21192 CCCCCCC(O)CC=CCCCCCCCC(=O)OC MCULE-5183068201 [0,2,0,0,0,0|0,0,0]=2 246 B21R0.21192 CCCCCCC(O)CCCCCCCCCCC(=O)OC MCULE-2811244518 [0,2,0,0,0,0|0,0,2]=4 247 B21R0.21192 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC MCULE-5897136444 [0,2,0,0,0,0|0,0,0]=2 248 B21R0.37067 CCCCCC(O)C(=O)CC=CCCCCCCCC(=O)O MCULE-7966720696 [0,2,0,0,0,0|0,0,1]=3 249 B21R0.37067 CCCCC[C@@H](O)[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-2340026715 [0,2,0,0,0,0|0,0,0]=2 250 B21R0.32984 CCCCCCCCC=C[C@H](O)CC[C@@H](O)CCCC(=O)O MCULE-5456498205 [0,2,0,0,0,0|0,0,0]=2 251 B21R0.14440 C(=CCC=CCC(O)C(O)CC)CCCCCCCC(=O)O MCULE-4091016923 [0,2,0,0,0,0|0,0,2]=4 252 B21R0.36393 CCCCCCCCCCCCCCCC(O)CC(=O)OC MCULE-2083506375 [0,2,0,0,0,0|0,0,2]=4 253 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC MCULE-3805960874 [0,2,0,0,0,0|0,0,2]=4 254 B21R0.2907 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC MCULE-7544559322 [0,2,0,0,0,0|0,0,2]=4 255 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC MCULE-4304799829 [0,2,0,0,0,0|0,0,2]=4 256 B21R0.2907 CCCCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-9535038485 [0,2,0,0,0,0|0,0,0]=2 257 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)NCC MCULE-9596411884 [0,2,0,0,0,0|1,0,0]=3 258 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC MCULE-3486771028 [0,2,0,0,0,0|0,0,0]=2 259 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC MCULE-3414589628 [0,2,0,0,0,0|0,0,2]=4 260 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCCl MCULE-5709243578 [0,2,0,0,0,0|0,0,2]=4 261 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI MCULE-4466117960 [0,2,0,0,0,0|0,0,2]=4 262 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC MCULE-3135311657 [0,2,0,0,0,0|0,0,1]=3 263 B21R0.2973 CCCCCCCCCCCCCCCCC(O)C(=O)OC MCULE-2273695745 [0,2,0,0,0,0|0,0,2]=4 264 B21R0.23597 CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)OC MCULE-3077334129 [0,2,0,0,0,0|0,0,2]=4 265 B21R0.24664 CCC(C)CCCCCCCCCCCCCCC(=O)OC MCULE-5799204590 [0,2,0,0,0,0|0,0,2]=4 266 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(C)C MCULE-1150740509 [0,2,0,0,0,0|0,0,2]=4 267 B21R0.36766 CCCCCCCCC=CCCCCCCCCC(=O)OC MCULE-7270276060 [0,2,0,0,0,0|0,0,0]=2 268 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC MCULE-3350746374 [0,2,0,0,0,0|0,0,2]=4 269 B21R0.36769 CCCCCCCC/C=C/CCCCCCCC(=O)N(C)C MCULE-9119397055 [0,2,0,0,0,0|1,0,0]=3 270 B21R0.9296 CCCCCCCCCCCCCCCCC(CC)C(=O)O MCULE-6534484335 [0,2,0,0,0,0|0,0,2]=4 271 B21R0.32985 C=CCCCCCCCCC(=O)CCCCCCCC(=O)O MCULE-9714012387 [0,2,0,0,0,0|0,0,2]=4 272 B21R0.9272 CCCCC/C=C\C/C=C\C(O)CC(O)CCCCC(=O)O MCULE-2410702763 [0,2,0,0,0,0|0,0,2]=4 273 B21R0.81 CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O MCULE-9405390567 [0,2,0,0,0,0|0,0,2]=4 274 B21R0.81 CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O MCULE-9285750550 [0,2,0,0,0,0|0,0,2]=4 275 B21R0.81 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O MCULE-1395973661 [0,2,0,0,0,0|0,0,2]=4 276 B21R0.81 CCCCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-5077473579 [0,2,0,0,0,0|0,0,2]=4 277 B21R0.81 CCCCCC=CCC=CCC=CCCCCCCC(=O)O MCULE-2409906951 [0,2,0,0,0,0|0,0,2]=4 278 B21R0.81 CCCCCC=CCC=CCCCCC=CCCCC(=O)O MCULE-3559034612 [0,2,0,0,0,0|0,0,2]=4 279 B21R0.81 CCCCCC=CCC=CCCCCCCCCCC(=O)O MCULE-3918440694 [0,2,0,0,0,0|0,0,2]=4 280 B21R0.81 CCCCCC=CCCCCC=CCCCCCCC(=O)O MCULE-4531863767 [0,2,0,0,0,0|0,0,2]=4 281 B21R0.81 CCCCCC=CCCCCCCCCCCCCC(=O)O MCULE-3376654817 [0,2,0,0,0,0|0,0,2]=4 282 B21R0.81 CCCCCCC=CCCCCCCCCCCCC(=O)O MCULE-9376142288 [0,2,0,0,0,0|0,0,2]=4 283 B21R0.81 CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O MCULE-3090154533 [0,2,0,0,0,0|0,0,2]=4 284 B21R0.81 CCCCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-1798812588 [0,2,0,0,0,0|0,0,0]=2 285 B21R0.81 CCCCCCCCC=CCC=CCC=CCCCC(=O)O MCULE-6727369936 [0,2,0,0,0,0|0,0,2]=4 286 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)N MCULE-2886059366 [0,2,0,0,0,0|1,0,0]=3 287 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)O MCULE-5167912454 [0,2,0,0,0,0|0,0,0]=2 288 B21R0.81 CCCCCCCCC=CCCCCCCCCOC(=O)C MCULE-7933091917 [0,2,0,0,0,0|1,0,0]=3 289 B21R0.81 CCCCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-8696271470 [0,2,0,0,0,0|0,0,0]=2 290 B21R0.81 CCCCCCCCCCC=CCCCCCCCC(=O)O MCULE-1716285800 [0,2,0,0,0,0|0,0,0]=2 291 B21R0.81 CCCCCCCCCCCC=CCCCCCCC(=O)O MCULE-1737820111 [0,2,0,0,0,0|0,0,2]=4 292 B21R0.81 CCCCCCCCCCCCCCC=CCCCC(=O)O MCULE-6785318094 [0,2,0,0,0,0|0,0,2]=4 293 B21R0.81 CCCCCCCCCCCCCCCCCC=CC(=O)O MCULE-9297237540 [0,2,0,0,0,0|0,0,2]=4 294 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O MCULE-2888473872 [0,2,0,0,0,0|0,0,2]=4 295 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCBr MCULE-3663484390 [0,2,0,0,0,0|0,0,2]=4 296 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCO MCULE-7315062903 [0,2,0,0,0,0|0,0,2]=4 297 B21R0.9014 CC(C)CCCCCCCCCCCCCCCCC(=O)O MCULE-6203958880 [0,2,0,0,0,0|0,0,2]=4 298 B21R0.9014 O=C(O)CCCCCCC/C=C/CCCCCCCC(=O)O MCULE-4616651043 [0,2,0,0,0,0|0,0,1]=3 299 B21R0.9014 O=C(O)CCCCCCC/C=C\CCCCCCCC(=O)O MCULE-3074406849 [0,2,0,0,0,0|0,0,1]=3 300 B21R0.9014 O=C(O)CCCCCCCC=CCCCCCCCC(=O)O MCULE-1046270451 [0,2,0,0,0,0|0,0,1]=3 301 B21R0.9287 CCCCCCCCC(=O)NCCCCCCCCC(=O)O MCULE-5803230685 [0,2,0,0,0,0|0,0,1]=3 302 B21R0.19042 CCCCCC=CC(O)C=CC(O)CCCCCCC(=O)O MCULE-3013467012 [0,2,0,0,0,0|0,0,2]=4 303 B21R0.19042 CCCCCC=C[C@H](O)C=C[C@H](O)CCCCCCC(=O)O MCULE-3521034959 [0,2,0,0,0,0|0,0,2]=4 304 B21R0.36906 CCCCCC(C=CC=CCCCCCCCC(=O)O)OO MCULE-5569880418 [0,2,0,0,0,0|0,0,2]=4 305 B21R0.36906 CCCCC[C@@H](C=CC=CCCCCCCCC(=O)O)OO MCULE-5279806440 [0,2,0,0,0,0|0,0,2]=4 306 B19R1.274 [C@@H]1(CCC(=O)O1)CCCCCCCCCCCCC MCULE-7211376504 [1,0,0,1,0,0|0,0,1]=3 307 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [1,0,0,1,0,0|0,0,1]=3 308 B19R1.46541 CCCCCCC1CC1CCCCCCCC(=O)O MCULE-2189450865 [1,0,0,1,0,0|0,0,1]=3 309 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O MCULE-9877242647 [1,0,0,1,0,0|0,0,2]=4 310 B21R1.17805 CCCCCCCCC1=C(C1)CCCCCCCC(=O)O MCULE-5750300123 [0,1,0,1,0,0|0,0,0]=2 311 B21R1.17805 CCCCCCCCC1CC1CCCCCCCC(=O)O MCULE-6976268565 [0,1,0,1,0,0|0,0,2]=4 312 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O MCULE-5420058418 [0,1,0,1,0,0|0,0,2]=4 313 B21R1.17805 CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O MCULE-8871810161 [0,1,0,1,0,0|0,0,2]=4 314 B21R1.17805 CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O MCULE-6683247888 [0,1,0,1,0,0|0,0,2]=4 315 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O MCULE-7350450267 [0,1,0,1,0,0|0,0,2]=4 316 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O MCULE-8569078311 [0,1,0,1,0,0|0,0,2]=4 317 B21R1.988145 CCCCCCC1CC1CCCCCCCCCC(=O)O MCULE-9526160011 [0,1,0,1,0,0|0,0,2]=4 318 B21R1.290332 CCCCCCC1CCC(C1CCCCCCC(=O)O)O MCULE-8367548595 [0,1,0,1,0,0|0,0,2]=4