0 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC MCULE-3805960874 [0,0,0,0,0,0|0,0,4]=4 1 B21R0.2907 CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC MCULE-2975110457 [0,0,0,0,0,0|0,0,4]=4 2 B21R0.2907 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC MCULE-1984890609 [0,0,0,0,0,0|0,0,4]=4 3 B21R0.2907 CCC=CCC=CCC=CCCCCCCCC(=O)OCC MCULE-4255982344 [0,0,0,0,0,0|0,0,4]=4 4 B21R0.2907 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC MCULE-7544559322 [0,0,0,0,0,0|0,0,2]=2 5 B21R0.2907 CCCCC=CC=CC=CCCCCCCCC(=O)OCC MCULE-1569061893 [0,0,0,0,0,0|0,0,4]=4 6 B21R0.2907 CCCCCC=CCC=CCC=CCCCCC(=O)OCC MCULE-7591016849 [0,0,0,0,0,0|0,0,4]=4 7 B21R0.2907 CCCCCC=CCC=CCCC=CCCCC(=O)OCC MCULE-5077302048 [0,0,0,0,0,0|0,0,4]=4 8 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC MCULE-4304799829 [0,0,0,0,0,0|0,0,2]=2 9 B21R0.2907 CCCCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-9535038485 [0,0,0,0,0,0|0,0,0]=0 10 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)NCC MCULE-9596411884 [0,0,0,0,0,0|1,0,0]=1 11 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC MCULE-3486771028 [0,0,0,0,0,0|0,0,0]=0 12 B21R0.2907 CCCCCCCCCCCC=CCCCCC(=O)OCC MCULE-2240739017 [0,0,0,0,0,0|0,0,4]=4 13 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC MCULE-3414589628 [0,0,0,0,0,0|0,0,2]=2 14 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCCl MCULE-5709243578 [0,0,0,0,0,0|1,0,2]=3 15 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI MCULE-4466117960 [0,0,0,0,0,0|1,0,2]=3 16 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC MCULE-3916038569 [1,0,0,0,0,0|0,0,1]=2 17 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCCl MCULE-4551655923 [1,0,0,0,0,0|1,0,1]=3 18 B20R0.3034 CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC MCULE-4142533371 [1,0,0,0,0,0|0,0,2]=3 19 B20R0.3034 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC MCULE-1089286417 [1,0,0,0,0,0|0,0,2]=3 20 B20R0.3034 CCCCCC=CCC=CCCCCCCCC(=O)OC MCULE-4399438587 [1,0,0,0,0,0|0,0,2]=3 21 B20R0.3034 CCCCCCC=CC=CCCCCCCCC(=O)OC MCULE-9043062815 [1,0,0,0,0,0|0,0,2]=3 22 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)OC MCULE-6969329015 [1,0,0,0,0,0|0,0,0]=1 23 B20R0.3034 CCCCCCCC/C=C\CCCCCCCC(=O)OC MCULE-4995415924 [1,0,0,0,0,0|0,0,0]=1 24 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)NO MCULE-4738313374 [1,0,0,0,0,0|2,0,0]=3 25 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC MCULE-8140747078 [1,0,0,0,0,0|0,0,0]=1 26 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC MCULE-5204951477 [1,0,0,0,0,0|1,0,2]=4 27 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [1,0,0,0,0,0|0,0,2]=3 28 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CC MCULE-9277107250 [1,0,0,0,0,0|1,0,2]=4 29 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO MCULE-1486220691 [1,0,0,0,0,0|1,0,2]=4 30 B22R0.54 CCCCCCCCCCCCCCCCCCC(=O)OCC MCULE-8035292791 [0,1,0,0,0,0|0,0,2]=3 31 B22R0.2837 CCCCCC(O)C=CC=CCCCCCCCC(=O)OCC MCULE-2983172633 [0,1,0,0,0,0|0,0,2]=3 32 B22R0.37842 CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C MCULE-6153370220 [0,1,0,0,0,0|0,0,2]=3 33 B22R0.37842 CCCCCCCCCCCCCCCCCC(=O)OC(C)C MCULE-3731648811 [0,1,0,0,0,0|0,0,2]=3 34 B22R0.37842 CCCCCCCCCCCCCCCCNC(=O)OC(C)C MCULE-2410852462 [0,1,0,0,0,0|1,0,2]=4 35 B22R0.38211 CCCCCCC(O)CCCCCCCCCCC(=O)OCC MCULE-5339275906 [0,1,0,0,0,0|0,0,2]=3 36 B22R0.38211 [C@H](O)(CC=CCCCCCCCC(=O)OCC)CCCCCC MCULE-7818588594 [0,1,0,0,0,0|0,0,0]=1 37 B22R0.38218 CCCCCCCC/C=C\CCCCCCCC(=O)N(C)OC MCULE-8547437397 [0,1,0,0,0,0|2,0,0]=3 38 B22R0.38515 C=CCOC(=O)CCCCCCCCCCCCCCCCC MCULE-2195267101 [0,1,0,0,0,0|0,0,3]=4 39 B22R0.38515 CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO MCULE-5510847560 [0,1,0,0,0,0|1,0,2]=4 40 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)NCCO MCULE-1367738522 [0,1,0,0,0,0|1,0,2]=4 41 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)OCCC MCULE-3374497067 [0,1,0,0,0,0|0,0,2]=3 42 B22R0.38515 CCCCCCCC/C=C\CCCCCCCC(=O)NCCO MCULE-5627823576 [0,1,0,0,0,0|1,0,0]=2 43 B22R0.38515 CCCCCCCCC=CCCCCCCCC(=O)NCCO MCULE-7789529745 [0,1,0,0,0,0|1,0,0]=2 44 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCO MCULE-2155628141 [0,1,0,0,0,0|1,0,2]=4 45 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCCl MCULE-7434426499 [0,1,0,0,0,0|0,0,2]=3 46 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCO MCULE-6821432182 [0,1,0,0,0,0|0,0,2]=3 47 B22R0.38849 CCCCCCCCC(=O)CCCCCCCCC(=O)OCC MCULE-7249115888 [0,1,0,0,0,0|0,0,1]=2 48 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC MCULE-2350131012 [2,0,0,0,0,0|0,0,2]=4 49 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [2,0,0,0,0,0|0,0,1]=3 50 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr MCULE-1850296129 [2,0,0,0,0,0|1,0,1]=4 51 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO MCULE-5067829702 [2,0,0,0,0,0|1,0,1]=4 52 B19R0.182 C=COC(=O)CCCCCCCCCCCCCCC MCULE-2966237485 [2,0,0,0,0,0|0,0,2]=4 53 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-3295314962 [2,0,0,0,0,0|0,0,0]=2 54 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC MCULE-7712829052 [2,0,0,0,0,0|0,0,0]=2 55 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC MCULE-8045613210 [2,0,0,0,0,0|0,0,0]=2 56 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCCl MCULE-1596942672 [2,0,0,0,0,0|1,0,0]=3 57 B19R0.182 CCCCCCCCCCCCCCOC(=O)CCC MCULE-9781248122 [2,0,0,0,0,0|2,0,0]=4 58 B19R0.182 CCCCCCCCCCCCNCCC(=O)OCC MCULE-4138162164 [2,0,0,0,0,0|1,0,0]=3 59 B19R0.149 C#CCCCCCCC=CCCCCCCCC(=O)O MCULE-1916928955 [2,0,0,0,0,0|0,0,2]=4 60 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O MCULE-9671518710 [2,0,0,0,0,0|0,0,2]=4 61 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O MCULE-1893075589 [2,0,0,0,0,0|0,0,2]=4 62 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)O MCULE-7560777471 [2,0,0,0,0,0|0,0,2]=4 63 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O MCULE-4653646367 [2,0,0,0,0,0|0,0,2]=4 64 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O MCULE-7336256238 [2,0,0,0,0,0|0,0,2]=4 65 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)N MCULE-5519396278 [2,0,0,0,0,0|1,0,0]=3 66 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [2,0,0,0,0,0|0,0,0]=2 67 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)Cl MCULE-5061148760 [2,0,0,0,0,0|1,0,0]=3 68 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)N MCULE-1236789578 [2,0,0,0,0,0|1,0,0]=3 69 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [2,0,0,0,0,0|0,0,0]=2 70 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-1498747483 [2,0,0,0,0,0|0,0,1]=3 71 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-4937469311 [2,0,0,0,0,0|0,0,1]=3 72 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [2,0,0,0,0,0|0,0,2]=4 73 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O MCULE-1324819009 [2,0,0,0,0,0|0,0,2]=4 74 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl MCULE-5110239318 [2,0,0,0,0,0|1,0,0]=3 75 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N MCULE-2101563329 [2,0,0,0,0,0|1,0,0]=3 76 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [2,0,0,0,0,0|0,0,0]=2 77 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-2893862044 [2,0,0,0,0,0|0,0,1]=3 78 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-4188975486 [2,0,0,0,0,0|0,0,1]=3 79 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [2,0,0,0,0,0|0,0,2]=4 80 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [2,0,0,0,0,0|0,0,2]=4 81 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [2,0,0,0,0,0|0,0,2]=4 82 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [2,0,0,0,0,0|1,0,1]=4 83 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCO MCULE-9792925645 [1,1,0,0,0,0|1,0,1]=4 84 B21R0.36262 CCCCCCCCCCCCCCC(=O)CC(=O)OCC MCULE-8395135934 [1,1,0,0,0,0|0,0,2]=4 85 B21R0.81 CCCCCCCCC=CCCCCCCCCOC(=O)C MCULE-7933091917 [1,1,0,0,0,0|0,0,2]=4 86 B21R0.36664 CCCCCCCCC=CCCCCCCCCNCCO MCULE-1577515300 [1,1,0,0,0,0|1,0,1]=4 87 B21R0.36664 CCCCCCCCC=CCCCCCCCCOCCO MCULE-8416658564 [1,1,0,0,0,0|0,0,1]=3 88 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC MCULE-3135311657 [1,1,0,0,0,0|0,0,1]=3 89 B21R0.10777 CCCCCCCCC(=O)CCCCCCCCC(=O)OC MCULE-5431651592 [1,1,0,0,0,0|0,0,1]=3 90 B21R0.10777 CCCCCCCCC(O)CCCCCCCCC(=O)OC MCULE-6562180210 [1,1,0,0,0,0|0,0,2]=4 91 B21R0.21192 CCCCCCC(O)CC=CCCCCCCCC(=O)OC MCULE-5183068201 [1,1,0,0,0,0|0,0,0]=2 92 B21R0.21192 CCCCCCC(O)CCCCCCCCCCC(=O)OC MCULE-2811244518 [1,1,0,0,0,0|0,0,2]=4 93 B21R0.21192 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC MCULE-5897136444 [1,1,0,0,0,0|0,0,0]=2 94 B21R0.23597 CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)OC MCULE-3077334129 [1,1,0,0,0,0|0,0,2]=4 95 B21R0.24664 CCC(C)CCCCCCCCCCCCCCC(=O)OC MCULE-5799204590 [1,1,0,0,0,0|0,0,2]=4 96 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(C)C MCULE-1150740509 [1,1,0,0,0,0|0,0,2]=4 97 B21R0.36393 CCCCCCCCCCCCCCCC(O)CC(=O)OC MCULE-2083506375 [1,1,0,0,0,0|0,0,2]=4 98 B21R0.36769 CCCCCCCC/C=C/CCCCCCCC(=O)N(C)C MCULE-9119397055 [1,1,0,0,0,0|1,0,0]=3 99 B23R0.36661 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC MCULE-1560893856 [0,2,0,0,0,0|0,0,2]=4 100 B23R0.36661 CCCCCC=CCC=CCC=CCCCCCCC(=O)OCC MCULE-7814922817 [0,2,0,0,0,0|0,0,2]=4 101 B23R0.36661 CCCCCC=CCC=CCCCCCCCCCC(=O)OCC MCULE-5797133433 [0,2,0,0,0,0|0,0,2]=4 102 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)OCC MCULE-9660145678 [0,2,0,0,0,0|0,0,2]=4 103 B23R0.36661 CCCCCCCCCCCCCCCCNCCC(=O)OCC MCULE-2760796179 [0,2,0,0,0,0|0,0,2]=4 104 B23R0.36737 CCCCCCCC(O)CC=CCCCCCCCC(=O)OCC MCULE-3519298534 [0,2,0,0,0,0|0,0,0]=2 105 B23R0.36737 CCCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OCC MCULE-4154240375 [0,2,0,0,0,0|0,0,0]=2 106 B23R0.37240 CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)CO MCULE-9773241850 [0,2,0,0,0,0|1,0,0]=3 107 B23R0.37240 CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)CO MCULE-2565084241 [0,2,0,0,0,0|1,0,0]=3 108 B23R0.37240 CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](C)CO MCULE-3188673047 [0,2,0,0,0,0|1,0,0]=3 109 B23R0.37240 CCCCCCCCC=CCCCCCCCC(=O)N[C@H](C)CO MCULE-8238670768 [0,2,0,0,0,0|1,0,0]=3 110 B23R0.21901 CCCCCCC(O)CCCCCCCCCCC(=O)OCCO MCULE-6392424021 [0,2,0,0,0,0|0,0,2]=4 111 B23R0.21901 CCCCCCC(O)CCCCCCCCCCC(=O)OCCO MCULE-9614606417 [0,2,0,0,0,0|0,0,2]=4 112 B23R0.9276 CCCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)O MCULE-3641715772 [0,2,0,0,0,0|1,0,1]=4 113 B23R0.9276 CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)O MCULE-7858903054 [0,2,0,0,0,0|1,0,1]=4 114 B23R0.9276 CCCCCCCCC=CCCCCCCCC(=O)OCC(C)O MCULE-4810165071 [0,2,0,0,0,0|0,0,0]=2 115 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)OCC(C)C MCULE-5039254404 [0,2,0,0,0,0|0,0,2]=4 116 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)OCC(C)O MCULE-1266207415 [0,2,0,0,0,0|0,0,2]=4 117 B23R0.36743 CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC MCULE-3277376632 [0,2,0,0,0,0|0,0,0]=2 118 B23R0.36743 CCCCCCCCC=CCCCCCCCC(=O)OCCCC MCULE-5174909262 [0,2,0,0,0,0|0,0,0]=2 119 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)OCCCC MCULE-5345549530 [0,2,0,0,0,0|0,0,2]=4