0 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [0,0,0,0,0,0|1,0,3]=4 1 B18R0.221 CCC=CCC=CCC=CCCCCCCCCN MCULE-5135125056 [0,0,0,0,0,0|0,0,4]=4 2 B18R0.221 CCCCC/C=C/C/C=C/CCCCCCCCBr MCULE-8349864934 [0,0,0,0,0,0|1,0,2]=3 3 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCC=O MCULE-4225998454 [0,0,0,0,0,0|1,0,3]=4 4 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCCBr MCULE-7420680533 [0,0,0,0,0,0|1,0,2]=3 5 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCCO MCULE-9609584782 [0,0,0,0,0,0|1,0,2]=3 6 B18R0.221 CCCCCC=CCC=CCCCCCCCC=O MCULE-8122185913 [0,0,0,0,0,0|1,0,3]=4 7 B18R0.221 CCCCCC=CCC=CCCCCCCCCBr MCULE-4780616711 [0,0,0,0,0,0|1,0,2]=3 8 B18R0.221 CCCCCC=CCC=CCCCCCCCCO MCULE-2050070328 [0,0,0,0,0,0|1,0,2]=3 9 B18R0.221 CCCCCCCC/C=C\CCCCCCCC=O MCULE-3882347276 [0,0,0,0,0,0|1,0,1]=2 10 B18R0.221 CCCCCCCC/C=C\CCCCCCCCBr MCULE-7059336133 [0,0,0,0,0,0|1,0,0]=1 11 B18R0.221 CCCCCCCC/C=C\CCCCCCCCN MCULE-9776233855 [0,0,0,0,0,0|0,0,0]=0 12 B18R0.221 CCCCCCCC/C=C\CCCCCCCCO MCULE-1321155051 [0,0,0,0,0,0|1,0,0]=1 13 B18R0.221 CCCCCCCCC=CCCCCCCCC=O MCULE-6432973422 [0,0,0,0,0,0|1,0,1]=2 14 B18R0.221 CCCCCCCCC=CCCCCCCCCBr MCULE-1599413369 [0,0,0,0,0,0|1,0,0]=1 15 B18R0.221 CCCCCCCCC=CCCCCCCCCCl MCULE-3153595635 [0,0,0,0,0,0|1,0,0]=1 16 B18R0.221 CCCCCCCCC=CCCCCCCCCN MCULE-8937925903 [0,0,0,0,0,0|0,0,0]=0 17 B18R0.221 CCCCCCCCC=CCCCCCCCCO MCULE-7776107404 [0,0,0,0,0,0|1,0,0]=1 18 B18R0.221 CCCCCCCCCCCCCCCCCC#N MCULE-4866596225 [0,0,0,0,0,0|0,0,4]=4 19 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [0,0,0,0,0,0|1,0,3]=4 20 B18R0.221 CCCCCCCCCCCCCCCCCCBr MCULE-1698743735 [0,0,0,0,0,0|1,0,2]=3 21 B18R0.221 CCCCCCCCCCCCCCCCCCC MCULE-7331201096 [0,0,0,0,0,0|1,0,2]=3 22 B18R0.221 CCCCCCCCCCCCCCCCCCCl MCULE-7660459113 [0,0,0,0,0,0|1,0,2]=3 23 B18R0.221 CCCCCCCCCCCCCCCCCCI MCULE-7219587354 [0,0,0,0,0,0|1,0,2]=3 24 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-1071635443 [0,0,0,0,0,0|0,0,2]=2 25 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-4763148758 [0,0,0,0,0,0|0,0,2]=2 26 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-6780490435 [0,0,0,0,0,0|0,0,2]=2 27 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [0,0,0,0,0,0|1,0,2]=3 28 B18R0.221 CCCCCCCCCCCCCCCCCCS MCULE-1398131164 [0,0,0,0,0,0|1,0,2]=3 29 B18R0.221 CCCCCCCCCCCCCCCCSCC MCULE-6430570072 [0,0,0,0,0,0|2,0,2]=4 30 B18R0.221 CCCCCCCCCCCCCCNCCCO MCULE-5168079887 [0,0,0,0,0,0|2,0,2]=4 31 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-2480939287 [0,0,0,0,0,0|2,0,2]=4 32 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-5858293059 [0,0,0,0,0,0|2,0,2]=4 33 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2182455098 [0,0,0,0,0,0|2,0,1]=3 34 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2737303457 [0,0,0,0,0,0|2,0,1]=3 35 B18R0.221 CCCCCCCCCSCCCCCCCCC MCULE-4540816041 [0,0,0,0,0,0|2,0,1]=3 36 B18R0.221 OCCCCCCCCCCCCCCCCCO MCULE-8245676043 [0,0,0,0,0,0|2,0,2]=4 37 B17R0.117 BrCCCCCCCCCCCCCCCCBr MCULE-1772004339 [1,0,0,0,0,0|2,0,1]=4 38 B17R0.117 C#CCCCCCCCCCCCCCCCC MCULE-5076637744 [1,0,0,0,0,0|1,0,2]=4 39 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [1,0,0,0,0,0|1,0,2]=4 40 B17R0.117 CCCCCCCCC#CCCCCCCCC MCULE-3536284106 [1,0,0,0,0,0|0,0,2]=3 41 B17R0.117 CCCCCCCCC=CCCCCCCCC MCULE-6516744308 [1,0,0,0,0,0|0,0,0]=1 42 B17R0.117 CCCCCCCCCCCCCCCCC#N MCULE-6977232864 [1,0,0,0,0,0|0,0,3]=4 43 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [1,0,0,0,0,0|1,0,2]=4 44 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [1,0,0,0,0,0|1,0,1]=3 45 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [1,0,0,0,0,0|0,0,2]=3 46 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [1,0,0,0,0,0|0,0,1]=2 47 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [1,0,0,0,0,0|1,0,1]=3 48 B17R0.117 CCCCCCCCCCCCCCCCNC MCULE-1285251874 [1,0,0,0,0,0|1,0,2]=4 49 B17R0.117 CCCCCCCCCCCCCCNCCO MCULE-9295121461 [1,0,0,0,0,0|2,0,1]=4 50 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [1,0,0,0,0,0|2,0,1]=4 51 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-3687360805 [1,0,0,0,0,0|2,0,1]=4 52 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-8888652835 [1,0,0,0,0,0|2,0,1]=4 53 B17R0.117 CCCCCCCCSSCCCCCCCC MCULE-1412413897 [1,0,0,0,0,0|2,0,0]=3 54 B17R0.117 NCCCCCCCCCCCCCCCCN MCULE-4384458307 [1,0,0,0,0,0|1,0,1]=3 55 B17R0.117 OCCCCCCCCCCCCCCCCBr MCULE-1022662758 [1,0,0,0,0,0|2,0,1]=4 56 B17R0.117 OCCCCCCCCCCCCCCCCO MCULE-4723598157 [1,0,0,0,0,0|2,0,1]=4 57 B17R0.117 OCCCCCCCCCCCCCCCCS MCULE-2183879155 [1,0,0,0,0,0|2,0,1]=4 58 B17R0.117 SCCCCCCCCCCCCCCCCS MCULE-1100070319 [1,0,0,0,0,0|2,0,1]=4 59 B19R0.36 BrCCCCCCCCCCCCCCCCCCBr MCULE-4464658477 [0,1,0,0,0,0|1,0,2]=4 60 B19R0.36 C=CCCCCCCCCCCCCCCCCCC MCULE-8547456617 [0,1,0,0,0,0|1,0,2]=4 61 B19R0.36 CCCCCCCCCCCCCCCCCCC#N MCULE-8414709470 [0,1,0,0,0,0|0,0,3]=4 62 B19R0.36 CCCCCCCCCCCCCCCCCCCC MCULE-4659194332 [0,1,0,0,0,0|1,0,2]=4 63 B19R0.36 CCCCCCCCCCCCCCCCCCCN MCULE-2134609571 [0,1,0,0,0,0|0,0,2]=3 64 B19R0.36 CCCCCCCCCCCCCCCCCCCO MCULE-6992104307 [0,1,0,0,0,0|1,0,2]=4 65 B19R0.36 CCCCCCCCCCCCCCCCCCNC MCULE-7372383680 [0,1,0,0,0,0|0,0,2]=3 66 B19R0.36 CCCCCCCCCCCCCCCCCCNC MCULE-9697487367 [0,1,0,0,0,0|0,0,2]=3 67 B19R0.36 CCCCCCCCCCCCCCCCNCCO MCULE-2098020562 [0,1,0,0,0,0|1,0,2]=4 68 B19R0.36 CCCCCCCCCCCCCCCCNCCO MCULE-9219383518 [0,1,0,0,0,0|1,0,2]=4 69 B19R0.36 CCCCCCCCCCCCCCCCOCCO MCULE-8116144329 [0,1,0,0,0,0|1,0,2]=4 70 B19R0.36 CCCCCCCCCCCCCCNCCCCC MCULE-7245951059 [0,1,0,0,0,0|1,0,2]=4 71 B19R0.36 CCCCCCCCNCCNCCCCCCCC MCULE-5522648843 [0,1,0,0,0,0|2,0,1]=4 72 B19R0.36 CCCCCCCCOCCOCCCCCCCC MCULE-3373081777 [0,1,0,0,0,0|2,0,1]=4 73 B19R0.36 NCCCCCCCCCCCCCCCCCCN MCULE-8057998756 [0,1,0,0,0,0|0,0,2]=3 74 B19R0.36 OCCCCCCCCCCCCCCCCCCO MCULE-6691412387 [0,1,0,0,0,0|1,0,2]=4 75 B19R0.36 [NH2+](CCO)CCCCCCCCCCCCCCCC MCULE-3078531807 [0,1,0,0,0,0|1,0,2]=4 76 B19R0.148 CCCCCCCCCCCCCCCCC(O)CN MCULE-9682126343 [0,1,0,0,0,0|0,0,2]=3 77 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](O)CO MCULE-5392529093 [0,1,0,0,0,0|1,0,2]=4 78 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)N MCULE-7860164761 [0,1,0,0,0,0|0,0,3]=4 79 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)N MCULE-1749485522 [0,1,0,0,0,0|0,0,3]=4 80 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)N MCULE-5519396278 [0,1,0,0,0,0|0,0,1]=2 81 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [0,1,0,0,0,0|1,0,1]=3 82 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)Cl MCULE-5061148760 [0,1,0,0,0,0|1,0,1]=3 83 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)N MCULE-1236789578 [0,1,0,0,0,0|0,0,1]=2 84 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [0,1,0,0,0,0|1,0,1]=3 85 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-1498747483 [0,1,0,0,0,0|1,0,1]=3 86 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-4937469311 [0,1,0,0,0,0|1,0,1]=3 87 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl MCULE-5110239318 [0,1,0,0,0,0|1,0,1]=3 88 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N MCULE-2101563329 [0,1,0,0,0,0|0,0,1]=2 89 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [0,1,0,0,0,0|1,0,1]=3 90 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-2893862044 [0,1,0,0,0,0|1,0,1]=3 91 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-4188975486 [0,1,0,0,0,0|1,0,1]=3 92 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [0,1,0,0,0,0|2,0,1]=4 93 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [0,1,0,0,0,0|0,0,3]=4 94 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N MCULE-5176481050 [0,1,0,0,0,0|0,0,2]=3 95 B19R0.18065 CCCCCCC(O)CCCCCCCCCCCO MCULE-1479121850 [0,1,0,0,0,0|1,0,2]=4 96 B19R0.23229 CCCCCCCCCCC(=O)CCCCCCCC MCULE-7623628750 [0,1,0,0,0,0|1,0,1]=3 97 B19R0.23229 CCCCCCCCCCC(O)CCCCCCCC MCULE-8412489803 [0,1,0,0,0,0|1,0,2]=4 98 B19R0.23229 CCCCCCCCCOC(=O)CCCCCCCBr MCULE-7720952479 [0,1,0,0,0,0|3,0,0]=4 99 B19R0.26208 CCCCCCCCCC(=O)CCCCCCCCC MCULE-1091485507 [0,1,0,0,0,0|1,0,1]=3 100 B19R0.26208 CCCCCCCCCC(=O)OCCCCCCCC MCULE-8539471241 [0,1,0,0,0,0|2,0,0]=3 101 B19R0.26208 CCCCCCCCCC(N)CCCCCCCCC MCULE-2479497995 [0,1,0,0,0,0|1,0,2]=4 102 B19R0.26208 CCCCCCCCCC(O)CCCCCCCCC MCULE-6565530891 [0,1,0,0,0,0|1,0,2]=4 103 B19R0.26208 CCCCCCCCCN(C)CCCCCCCCC MCULE-8142906904 [0,1,0,0,0,0|2,0,1]=4 104 B19R0.26208 CCCCCCCCCS(=O)CCCCCCCCC MCULE-9617589552 [0,1,0,0,0,0|2,0,1]=4 105 B19R0.26208 CCCCCCCCNC(=S)NCCCCCCCC MCULE-2223710114 [0,1,0,0,0,0|3,0,0]=4 106 B19R0.26208 CCCCCCCCOC(=O)OCCCCCCCC MCULE-4929466340 [0,1,0,0,0,0|3,0,0]=4 107 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 MCULE-3381978862 [0,0,0,1,0,0|1,0,2]=4 108 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 MCULE-1843981676 [0,0,0,1,0,0|1,0,2]=4 109 B16R0.303 BrCCCCCCCCCCCCCCCBr MCULE-7690331860 [2,0,0,0,0,0|2,0,0]=4 110 B16R0.303 C#CCCCCCCCCCCCCCCC MCULE-1536008008 [2,0,0,0,0,0|1,0,1]=4 111 B16R0.303 C=CCCCCCCCCCCCCCCC MCULE-3016072683 [2,0,0,0,0,0|1,0,1]=4 112 B16R0.303 CCCCCCC/C=C/CCCCCCCC MCULE-3851307693 [2,0,0,0,0,0|0,0,0]=2 113 B16R0.303 CCCCCCC=CCCCCCCCC=O MCULE-4206989660 [2,0,0,0,0,0|1,0,1]=4 114 B16R0.303 CCCCCCC=CCCCCCCCCO MCULE-2420123615 [2,0,0,0,0,0|1,0,0]=3 115 B16R0.303 CCCCCCCC=CCCCCCCCC MCULE-8207675419 [2,0,0,0,0,0|0,0,0]=2 116 B16R0.303 CCCCCCCCCCCCCCCC#N MCULE-6973931298 [2,0,0,0,0,0|0,0,2]=4 117 B16R0.303 CCCCCCCCCCCCCCCC=O MCULE-1337115097 [2,0,0,0,0,0|1,0,1]=4 118 B16R0.303 CCCCCCCCCCCCCCCCBr MCULE-7970004064 [2,0,0,0,0,0|1,0,0]=3 119 B16R0.303 CCCCCCCCCCCCCCCCC MCULE-3718944215 [2,0,0,0,0,0|0,0,1]=3 120 B16R0.303 CCCCCCCCCCCCCCCCCl MCULE-6806630762 [2,0,0,0,0,0|1,0,0]=3 121 B16R0.303 CCCCCCCCCCCCCCCCI MCULE-7905733232 [2,0,0,0,0,0|1,0,0]=3 122 B16R0.303 CCCCCCCCCCCCCCCCN MCULE-2718073245 [2,0,0,0,0,0|0,0,0]=2 123 B16R0.303 CCCCCCCCCCCCCCCCO MCULE-9457426256 [2,0,0,0,0,0|1,0,0]=3 124 B16R0.303 CCCCCCCCCCCCCCCCS MCULE-4288584728 [2,0,0,0,0,0|1,0,0]=3 125 B16R0.303 CCCCCCCCCCCCNCCCN MCULE-3001697150 [2,0,0,0,0,0|1,0,0]=3 126 B16R0.303 CCCCCCCCCCCCOCCCN MCULE-9349081748 [2,0,0,0,0,0|1,0,0]=3 127 B16R0.303 CCCCCCCCCCCCSCCCO MCULE-5140051072 [2,0,0,0,0,0|2,0,0]=4 128 B16R0.303 CCCCCCCCCCCC[NH2+]CCCC MCULE-3589394033 [2,0,0,0,0,0|1,0,1]=4 129 B16R0.303 CCCCCCCCCCCC[NH2+]CCCC MCULE-8680690151 [2,0,0,0,0,0|1,0,1]=4 130 B16R0.303 CCCCCCCCCCCC[NH2+]CCCCl MCULE-2363035840 [2,0,0,0,0,0|2,0,0]=4 131 B16R0.303 CCCCCCCCCCCC[NH2+]CCCCl MCULE-9418570773 [2,0,0,0,0,0|2,0,0]=4 132 B16R0.303 CCCCCCCCNCCCCCCCC MCULE-4493002162 [2,0,0,0,0,0|1,0,0]=3 133 B16R0.303 CCCCCCCCOCCCCCCCC MCULE-1626708169 [2,0,0,0,0,0|1,0,0]=3 134 B16R0.303 CCCCCCCCSCCCCCCCC MCULE-5901093421 [2,0,0,0,0,0|1,0,0]=3 135 B16R0.303 CCCCCCCCSCCCCCCCO MCULE-8968963881 [2,0,0,0,0,0|2,0,0]=4 136 B16R0.303 OCCCCCCCCCCCCCCCBr MCULE-4806172404 [2,0,0,0,0,0|2,0,0]=4 137 B16R0.303 OCCCCCCCCCCCCCCCO MCULE-2337452795 [2,0,0,0,0,0|2,0,0]=4 138 B16R0.303 [NH3+]CCCOCCCCCCCCCCCC MCULE-9082677353 [2,0,0,0,0,0|1,0,1]=4 139 B18R0.110 CCCCCCCCCCCCCCC(O)CCO MCULE-1422813299 [1,1,0,0,0,0|1,0,1]=4 140 B18R0.171 CCCCCCCCC=CCCCCCC(=O)OC MCULE-7280995327 [1,1,0,0,0,0|1,0,1]=4 141 B18R0.176 CC(C)CCCCCCCCCCCCCCCO MCULE-6059147214 [1,1,0,0,0,0|1,0,1]=4 142 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [1,1,0,0,0,0|0,0,2]=4 143 B18R0.11621 CCCCCCCCCC(O)CCCCCCCC MCULE-3839358113 [1,1,0,0,0,0|0,0,2]=4 144 B20R0.2932 CCCCCCCCCCCCCCCCCCCCN MCULE-6786366889 [0,2,0,0,0,0|0,0,2]=4 145 B20R0.2932 CCCCCCCCCCCCCCCCCCNC=O MCULE-3205565522 [0,2,0,0,0,0|0,0,2]=4 146 B20R0.2932 CCCCCCCCCCCCCCCCNCCCN MCULE-4950352025 [0,2,0,0,0,0|0,0,2]=4 147 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)OC MCULE-6969329015 [0,2,0,0,0,0|1,0,1]=4 148 B20R0.3034 CCCCCCCC/C=C\CCCCCCCC(=O)OC MCULE-4995415924 [0,2,0,0,0,0|1,0,1]=4 149 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)NO MCULE-4738313374 [0,2,0,0,0,0|0,0,1]=3 150 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC MCULE-8140747078 [0,2,0,0,0,0|1,0,1]=4 151 B20R0.10415 CCCCCCCCCCOC(=O)CCCCCCCC MCULE-8320881747 [0,2,0,0,0,0|1,0,1]=4 152 B20R0.31940 CCCCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7761893081 [0,2,0,0,0,0|1,0,0]=3 153 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O MCULE-7486728155 [0,2,0,0,0,0|1,0,0]=3 154 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N MCULE-5930779500 [0,2,0,0,0,0|0,0,2]=4 155 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-4319530167 [0,2,0,0,0,0|0,0,2]=4 156 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-5200671605 [0,2,0,0,0,0|0,0,2]=4 157 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-9874389731 [0,2,0,0,0,0|0,0,2]=4 158 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC MCULE-2937146497 [0,2,0,0,0,0|1,0,1]=4 159 B20R0.31962 CCCCCCCCCOC(=O)CCCCCCCCC MCULE-6987366501 [0,2,0,0,0,0|1,0,1]=4 160 B20R0.3037 CCCCCCCC/C=C/CCCCCCC(O)C(=O)O MCULE-6297531356 [0,2,0,0,0,0|1,0,1]=4 161 B20R0.3037 CCCCCCCC/C=C\CCCCCCC(O)C(=O)O MCULE-6413909495 [0,2,0,0,0,0|1,0,1]=4 162 B20R0.3037 CCCCCCCC/C=C\CCCCCCC(O)C(=O)[O-] MCULE-1818161232 [0,2,0,0,0,0|1,0,1]=4 163 B20R0.3037 CCCCCCCCC=CCCCCCCC(O)C(=O)O MCULE-1012353675 [0,2,0,0,0,0|1,0,1]=4 164 B20R0.68 CCCCCCCCC(=O)OCCCCCCCC(C)C MCULE-8310329513 [0,2,0,0,0,0|2,0,0]=4 165 B20R0.90 CCCCCCC(O)CC=CCCCCCCCC(=O)O MCULE-9156595873 [0,2,0,0,0,0|1,0,1]=4 166 B20R0.90 CCCCCCC(O)CC=CCCCCCCCC(=O)[O-] MCULE-5146180349 [0,2,0,0,0,0|1,0,1]=4 167 B20R0.90 CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O MCULE-8991093142 [0,2,0,0,0,0|1,0,1]=4 168 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-9036760572 [0,2,0,0,0,0|1,0,1]=4 169 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-9159266494 [0,2,0,0,0,0|1,0,1]=4 170 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)[O-] MCULE-5859199839 [0,2,0,0,0,0|1,0,1]=4 171 B20R0.32069 CCCCCCCC(O)/C=C/CCCCCCCC(=O)O MCULE-7928736271 [0,2,0,0,0,0|1,0,1]=4 172 B18R1.1261 CCCCCCCCCCCCC1CCCCC1 MCULE-4448428504 [1,0,0,1,0,0|0,0,2]=4