0 B18R0.221 C#CSCCCCCCCCCCCCCCCC MCULE-9204018409 [0,0,0,0,0,0|2,0,1]=3 1 B18R0.221 C=CCCCCCCCCCCCCCCCCBr MCULE-5254809366 [0,0,0,0,0,0|1,0,2]=3 2 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [0,0,0,0,0,0|1,0,1]=2 3 B18R0.221 C=COCCCCCCCCCCCCCCCC MCULE-8067527635 [0,0,0,0,0,0|2,0,1]=3 4 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCCO MCULE-9609584782 [0,0,0,0,0,0|0,0,4]=4 5 B18R0.221 CCCCC=CCCCCCCCCCC=CCO MCULE-1511437572 [0,0,0,0,0,0|0,0,4]=4 6 B18R0.221 CCCCCC=CCC=CCCCCCCCCO MCULE-2050070328 [0,0,0,0,0,0|0,0,4]=4 7 B18R0.221 CCCCCCCC/C=C\CCCCCCCC=O MCULE-3882347276 [0,0,0,0,0,0|0,0,4]=4 8 B18R0.221 CCCCCCCC/C=C\CCCCCCCCBr MCULE-7059336133 [0,0,0,0,0,0|1,0,2]=3 9 B18R0.221 CCCCCCCC/C=C\CCCCCCCCN MCULE-9776233855 [0,0,0,0,0,0|1,0,2]=3 10 B18R0.221 CCCCCCCC/C=C\CCCCCCCCO MCULE-1321155051 [0,0,0,0,0,0|0,0,2]=2 11 B18R0.221 CCCCCCCCC=CCCCCCCCC=O MCULE-6432973422 [0,0,0,0,0,0|0,0,4]=4 12 B18R0.221 CCCCCCCCC=CCCCCCCCCBr MCULE-1599413369 [0,0,0,0,0,0|1,0,2]=3 13 B18R0.221 CCCCCCCCC=CCCCCCCCCCl MCULE-3153595635 [0,0,0,0,0,0|1,0,2]=3 14 B18R0.221 CCCCCCCCC=CCCCCCCCCN MCULE-8937925903 [0,0,0,0,0,0|1,0,2]=3 15 B18R0.221 CCCCCCCCC=CCCCCCCCCO MCULE-7776107404 [0,0,0,0,0,0|0,0,2]=2 16 B18R0.221 CCCCCCCCCCCC=CCCCCCO MCULE-1709012868 [0,0,0,0,0,0|0,0,2]=2 17 B18R0.221 CCCCCCCCCCCCCCCC#CCO MCULE-9312932131 [0,0,0,0,0,0|0,0,2]=2 18 B18R0.221 CCCCCCCCCCCCCCCCC#CBr MCULE-3304703107 [0,0,0,0,0,0|1,0,2]=3 19 B18R0.221 CCCCCCCCCCCCCCCCCC#N MCULE-4866596225 [0,0,0,0,0,0|1,0,1]=2 20 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [0,0,0,0,0,0|0,0,2]=2 21 B18R0.221 CCCCCCCCCCCCCCCCCCBr MCULE-1698743735 [0,0,0,0,0,0|1,0,0]=1 22 B18R0.221 CCCCCCCCCCCCCCCCCCC MCULE-7331201096 [0,0,0,0,0,0|1,0,0]=1 23 B18R0.221 CCCCCCCCCCCCCCCCCCCl MCULE-7660459113 [0,0,0,0,0,0|1,0,0]=1 24 B18R0.221 CCCCCCCCCCCCCCCCCCI MCULE-7219587354 [0,0,0,0,0,0|1,0,0]=1 25 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-1071635443 [0,0,0,0,0,0|1,0,0]=1 26 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-4763148758 [0,0,0,0,0,0|1,0,0]=1 27 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-6780490435 [0,0,0,0,0,0|1,0,0]=1 28 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [0,0,0,0,0,0|0,0,0]=0 29 B18R0.221 CCCCCCCCCCCCCCCCCCS MCULE-1398131164 [0,0,0,0,0,0|0,1,0]=1 30 B18R0.221 CCCCCCCCCCCCCCCCN=C=O MCULE-7368492153 [0,0,0,0,0,0|1,0,2]=3 31 B18R0.221 CCCCCCCCCCCCCCCCN=C=S MCULE-3959359359 [0,0,0,0,0,0|1,1,1]=3 32 B18R0.221 CCCCCCCCCCCCCCCCN=N#N MCULE-4281150534 [0,0,0,0,0,0|3,0,0]=3 33 B18R0.221 CCCCCCCCCCCCCCCCSCC MCULE-6430570072 [0,0,0,0,0,0|2,0,0]=2 34 B18R0.221 CCCCCCCCCCCCCCNCCCO MCULE-5168079887 [0,0,0,0,0,0|1,0,0]=1 35 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-2480939287 [0,0,0,0,0,0|2,0,0]=2 36 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-5858293059 [0,0,0,0,0,0|2,0,0]=2 37 B18R0.221 CCCCCCCCCCCCOCCOCCCl MCULE-7980447084 [0,0,0,0,0,0|3,0,0]=3 38 B18R0.221 CCCCCCCCCCCCOCCOCCO MCULE-7043512916 [0,0,0,0,0,0|2,0,0]=2 39 B18R0.221 CCCCCCCCCCCCSCCOCCO MCULE-5914963385 [0,0,0,0,0,0|2,0,0]=2 40 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2182455098 [0,0,0,0,0,0|2,0,0]=2 41 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2737303457 [0,0,0,0,0,0|2,0,0]=2 42 B18R0.221 CCCCCCCCCSCCCCCCCCC MCULE-4540816041 [0,0,0,0,0,0|2,0,0]=2 43 B18R0.221 CCCCCCCSCCCSCCCCCCC MCULE-9517341346 [0,0,0,0,0,0|3,0,0]=3 44 B18R0.221 CCCCCCNCCOCCOCCOCCO MCULE-7339968604 [0,0,0,0,0,0|4,0,0]=4 45 B18R0.221 CCCCCCOCCNCCOCCCCCC MCULE-2099593986 [0,0,0,0,0,0|4,0,0]=4 46 B18R0.221 CCCCCCOCCNCCOCCCCCC MCULE-8571394656 [0,0,0,0,0,0|4,0,0]=4 47 B18R0.221 CCCCCCOCCOCCOCCSCCO MCULE-6061144317 [0,0,0,0,0,0|4,0,0]=4 48 B18R0.221 CCCCCCOCCSCCOCCOCCO MCULE-9011007499 [0,0,0,0,0,0|4,0,0]=4 49 B18R0.221 CCCCCCSCCOCCSCCCCCC MCULE-6223825661 [0,0,0,0,0,0|4,0,0]=4 50 B18R0.221 OCCCCCCCCCCCCCCCCCO MCULE-8245676043 [0,0,0,0,0,0|1,0,0]=1 51 B17R0.117 BrCCCCCCCCCCCCCCCCBr MCULE-1772004339 [1,0,0,0,0,0|2,0,0]=3 52 B17R0.117 C#CCCCCCCCCCCCCCCCC MCULE-5076637744 [1,0,0,0,0,0|0,0,2]=3 53 B17R0.117 C=CCCCCCCCCCCCCCCCBr MCULE-9221401419 [1,0,0,0,0,0|1,0,2]=4 54 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [1,0,0,0,0,0|0,0,2]=3 55 B17R0.117 CCCCCCCCC#CCCCCCCCC MCULE-3536284106 [1,0,0,0,0,0|0,0,2]=3 56 B17R0.117 CCCCCCCCC=CCCCCCCCC MCULE-6516744308 [1,0,0,0,0,0|0,0,2]=3 57 B17R0.117 CCCCCCCCCCCCCCCCC#N MCULE-6977232864 [1,0,0,0,0,0|1,0,1]=3 58 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [1,0,0,0,0,0|0,0,2]=3 59 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [1,0,0,0,0,0|1,0,0]=2 60 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [1,0,0,0,0,0|0,0,0]=1 61 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [1,0,0,0,0,0|1,0,0]=2 62 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [1,0,0,0,0,0|0,0,0]=1 63 B17R0.117 CCCCCCCCCCCCCCCCNC MCULE-1285251874 [1,0,0,0,0,0|1,0,0]=2 64 B17R0.117 CCCCCCCCCCCCCCNCCO MCULE-9295121461 [1,0,0,0,0,0|1,0,0]=2 65 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [1,0,0,0,0,0|1,0,0]=2 66 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-3687360805 [1,0,0,0,0,0|1,0,0]=2 67 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-8888652835 [1,0,0,0,0,0|1,0,0]=2 68 B17R0.117 CCCCCCCCNCCOCCOCCO MCULE-7094593839 [1,0,0,0,0,0|3,0,0]=4 69 B17R0.117 CCCCCCCCOCCOCCOCCO MCULE-3965553168 [1,0,0,0,0,0|3,0,0]=4 70 B17R0.117 CCCCCCCCSCCOCCOCCO MCULE-4040036093 [1,0,0,0,0,0|3,0,0]=4 71 B17R0.117 CCCCCCCCSSCCCCCCCC MCULE-1412413897 [1,0,0,0,0,0|2,0,0]=3 72 B17R0.117 CCCCCCCNCCNCCCCCCC MCULE-1814954032 [1,0,0,0,0,0|2,0,0]=3 73 B17R0.117 CCCCCCCNCCOCCCCCCC MCULE-7773202452 [1,0,0,0,0,0|2,0,0]=3 74 B17R0.117 CCCCCCCSCCSCCCCCCC MCULE-5166739640 [1,0,0,0,0,0|2,0,0]=3 75 B17R0.117 CCCCCSCCCCCCSCCCCC MCULE-2112540306 [1,0,0,0,0,0|2,0,0]=3 76 B17R0.117 NCCCCCCCCCCCCCCCCN MCULE-4384458307 [1,0,0,0,0,0|2,0,0]=3 77 B17R0.117 OCCCCCCCCCCCCCCCCBr MCULE-1022662758 [1,0,0,0,0,0|1,0,0]=2 78 B17R0.117 OCCCCCCCCCCCCCCCCO MCULE-4723598157 [1,0,0,0,0,0|1,0,0]=2 79 B17R0.117 OCCCCCCCCCCCCCCCCS MCULE-2183879155 [1,0,0,0,0,0|1,0,0]=2 80 B17R0.117 OCCSCCCCCCCCCCSCCO MCULE-1056184940 [1,0,0,0,0,0|3,0,0]=4 81 B17R0.117 SCCCCCCCCCCCCCCCCS MCULE-1100070319 [1,0,0,0,0,0|1,1,0]=3 82 B19R0.36 BrCCCCCCCCCCCCCCCCCCBr MCULE-4464658477 [0,1,0,0,0,0|1,0,0]=2 83 B19R0.36 C=CCCCCCCCCCCCCCCCCC=C MCULE-5965295804 [0,1,0,0,0,0|1,0,2]=4 84 B19R0.36 C=CCCCCCCCCCCCCCCCCCC MCULE-8547456617 [0,1,0,0,0,0|1,0,0]=2 85 B19R0.36 CCC#CCCCCCCCCCCCCCCCC MCULE-5745224689 [0,1,0,0,0,0|1,0,1]=3 86 B19R0.36 CCCCCCCCCCCCC#CC#CCCCO MCULE-9110646468 [0,1,0,0,0,0|0,0,3]=4 87 B19R0.36 CCCCCCCCCCCCCCCCCCC#N MCULE-8414709470 [0,1,0,0,0,0|1,0,0]=2 88 B19R0.36 CCCCCCCCCCCCCCCCCCCC MCULE-4659194332 [0,1,0,0,0,0|1,0,0]=2 89 B19R0.36 CCCCCCCCCCCCCCCCCCCN MCULE-2134609571 [0,1,0,0,0,0|1,0,0]=2 90 B19R0.36 CCCCCCCCCCCCCCCCCCCO MCULE-6992104307 [0,1,0,0,0,0|0,0,0]=1 91 B19R0.36 CCCCCCCCCCCCCCCCCCNC MCULE-7372383680 [0,1,0,0,0,0|1,0,0]=2 92 B19R0.36 CCCCCCCCCCCCCCCCCCNC MCULE-9697487367 [0,1,0,0,0,0|1,0,0]=2 93 B19R0.36 CCCCCCCCCCCCCCCCNCCO MCULE-2098020562 [0,1,0,0,0,0|0,0,0]=1 94 B19R0.36 CCCCCCCCCCCCCCCCNCCO MCULE-9219383518 [0,1,0,0,0,0|0,0,0]=1 95 B19R0.36 CCCCCCCCCCCCCCCCOCCO MCULE-8116144329 [0,1,0,0,0,0|0,0,0]=1 96 B19R0.36 CCCCCCCCCCCCCCNCCCCC MCULE-7245951059 [0,1,0,0,0,0|1,0,0]=2 97 B19R0.36 CCCCCCCCCCCCCC[NH2+]CCOCC MCULE-1808105141 [0,1,0,0,0,0|2,0,0]=3 98 B19R0.36 CCCCCCCCCCCCCC[NH2+]CCOCC MCULE-9270101302 [0,1,0,0,0,0|2,0,0]=3 99 B19R0.36 CCCCCCCCCCOCCOCCOCCCl MCULE-2351751319 [0,1,0,0,0,0|3,0,0]=4 100 B19R0.36 CCCCCCCCCCOCCOCCOCCO MCULE-2698276795 [0,1,0,0,0,0|2,0,0]=3 101 B19R0.36 CCCCCCCCCCSCCOCCOCCO MCULE-6326486492 [0,1,0,0,0,0|2,0,0]=3 102 B19R0.36 CCCCCCCCNCCNCCCCCCCC MCULE-5522648843 [0,1,0,0,0,0|2,0,0]=3 103 B19R0.36 CCCCCCCCOCCOCCCCCCCC MCULE-3373081777 [0,1,0,0,0,0|2,0,0]=3 104 B19R0.36 CCCCCCSCCCCCCSCCCCCC MCULE-3026194130 [0,1,0,0,0,0|2,0,0]=3 105 B19R0.36 NCCCCCCCCCCCCCCCCCCN MCULE-8057998756 [0,1,0,0,0,0|1,0,0]=2 106 B19R0.36 OCCCCCCCCCCCCCCCCCCO MCULE-6691412387 [0,1,0,0,0,0|0,0,0]=1 107 B19R0.36 [NH2+](CCO)CCCCCCCCCCCCCCCC MCULE-3078531807 [0,1,0,0,0,0|0,0,0]=1 108 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [0,1,0,0,0,0|2,0,1]=4 109 B19R0.148 CCCCCCCCCCCCCCCCC(O)CN MCULE-9682126343 [0,1,0,0,0,0|1,0,0]=2 110 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](O)CO MCULE-5392529093 [0,1,0,0,0,0|0,0,0]=1 111 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr MCULE-1850296129 [0,1,0,0,0,0|2,0,1]=4 112 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO MCULE-5067829702 [0,1,0,0,0,0|1,0,1]=3 113 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O MCULE-7083652608 [0,1,0,0,0,0|0,0,3]=4 114 B19R0.149 CCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-1460805964 [0,1,0,0,0,0|0,0,3]=4 115 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O MCULE-2741584353 [0,1,0,0,0,0|0,0,3]=4 116 B19R0.149 CCCCCC/C=C/CCCCCCCCCC(=O)O MCULE-6829224594 [0,1,0,0,0,0|0,0,3]=4 117 B19R0.149 CCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-4733251398 [0,1,0,0,0,0|0,0,3]=4 118 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O MCULE-1673564563 [0,1,0,0,0,0|0,0,3]=4 119 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [0,1,0,0,0,0|0,0,3]=4 120 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [0,1,0,0,0,0|0,0,3]=4 121 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [0,1,0,0,0,0|0,0,3]=4 122 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O MCULE-1324819009 [0,1,0,0,0,0|0,0,3]=4 123 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [0,1,0,0,0,0|0,0,3]=4 124 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [0,1,0,0,0,0|0,0,3]=4 125 B19R0.149 CCCCCCCCCCC/C=C\CCCCC(=O)O MCULE-7468359720 [0,1,0,0,0,0|0,0,3]=4 126 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O MCULE-8691030137 [0,1,0,0,0,0|0,0,3]=4 127 B19R0.149 CCCCCCCCCCCCCCCC=CC(=O)O MCULE-1870065641 [0,1,0,0,0,0|0,0,3]=4 128 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [0,1,0,0,0,0|0,0,2]=3 129 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [0,1,0,0,0,0|0,0,2]=3 130 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [0,1,0,0,0,0|0,0,2]=3 131 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [0,1,0,0,0,0|0,0,2]=3 132 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [0,1,0,0,0,0|0,0,1]=2 133 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [0,1,0,0,0,0|0,0,2]=3 134 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [0,1,0,0,0,0|0,0,2]=3 135 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [0,1,0,0,0,0|0,0,2]=3 136 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [0,1,0,0,0,0|0,0,2]=3 137 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N MCULE-5176481050 [0,1,0,0,0,0|1,0,0]=2 138 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C MCULE-6531755891 [0,1,0,0,0,0|1,0,2]=4 139 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N MCULE-8393504195 [0,1,0,0,0,0|1,0,2]=4 140 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C MCULE-2014547712 [0,1,0,0,0,0|2,0,0]=3 141 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C MCULE-4238475982 [0,1,0,0,0,0|2,0,0]=3 142 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C MCULE-2100485792 [0,1,0,0,0,0|1,0,2]=4 143 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl MCULE-4015597321 [0,1,0,0,0,0|1,0,2]=4 144 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9510391507 [0,1,0,0,0,0|2,0,1]=4 145 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9626584037 [0,1,0,0,0,0|2,0,1]=4 146 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [0,1,0,0,0,0|1,0,1]=3 147 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [0,1,0,0,0,0|1,0,1]=3 148 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [0,1,0,0,0,0|1,0,1]=3 149 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [0,1,0,0,0,0|1,0,1]=3 150 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC MCULE-8045613210 [0,1,0,0,0,0|2,0,1]=4 151 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCCl MCULE-1596942672 [0,1,0,0,0,0|2,0,1]=4 152 B19R0.182 CCCCCCCCCCCCCCOC(=O)CCC MCULE-9781248122 [0,1,0,0,0,0|2,0,1]=4 153 B19R0.9213 CCCCCCCCCCCC(=O)OCCCCCC MCULE-5723562399 [0,1,0,0,0,0|2,0,1]=4 154 B19R0.9213 CCCCCCCCCCCC(=O)OCCOCCO MCULE-5171515014 [0,1,0,0,0,0|2,0,1]=4 155 B19R0.18065 CCCCCCC(O)CCCCCCCCCCCO MCULE-1479121850 [0,1,0,0,0,0|0,0,0]=1 156 B19R0.18065 CCCCCCCCCCCOC(=O)CCCCCBr MCULE-4706279450 [0,1,0,0,0,0|2,0,1]=4 157 B19R0.18065 CCCCCCCCCCCSC(=O)CCCCCBr MCULE-4954897593 [0,1,0,0,0,0|2,0,1]=4 158 B19R0.23229 CCCCCCCCCCC(=O)CCCCCCCC MCULE-7623628750 [0,1,0,0,0,0|1,0,1]=3 159 B19R0.23229 CCCCCCCCCCC(O)CCCCCCCC MCULE-8412489803 [0,1,0,0,0,0|1,0,0]=2 160 B19R0.23229 CCCCCCCCCOC(=O)CCCCCCCBr MCULE-7720952479 [0,1,0,0,0,0|2,0,1]=4 161 B19R0.25648 CCCCCCCCCCCCCC(=O)OCCCC MCULE-1915432159 [0,1,0,0,0,0|2,0,1]=4 162 B19R0.26208 CCCCCCCCCC(=O)CCCCCCCCC MCULE-1091485507 [0,1,0,0,0,0|1,0,1]=3 163 B19R0.26208 CCCCCCCCCC(=O)OCCCCCCCC MCULE-8539471241 [0,1,0,0,0,0|2,0,1]=4 164 B19R0.26208 CCCCCCCCCC(N)CCCCCCCCC MCULE-2479497995 [0,1,0,0,0,0|1,0,0]=2 165 B19R0.26208 CCCCCCCCCC(O)CCCCCCCCC MCULE-6565530891 [0,1,0,0,0,0|1,0,0]=2 166 B19R0.26208 CCCCCCCCCN(C)CCCCCCCCC MCULE-8142906904 [0,1,0,0,0,0|2,0,0]=3 167 B19R0.26208 CCCCCCCCCS(=O)CCCCCCCCC MCULE-9617589552 [0,1,0,0,0,0|2,0,0]=3 168 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCO MCULE-8182564625 [0,1,0,0,0,0|1,0,1]=3 169 B19R1.275 C#CCCCCCCCCCCOC1CCCCO1 MCULE-6899282953 [0,0,0,1,0,0|1,0,2]=4 170 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 MCULE-3381978862 [0,0,0,1,0,0|1,0,0]=2 171 B19R1.275 CCCCCCCCCCCCNC1CCCCC1 MCULE-8016058369 [0,0,0,1,0,0|2,0,0]=3 172 B19R1.275 OCCCCCCCCCCCOC1CCCCO1 MCULE-5871268868 [0,0,0,1,0,0|2,0,0]=3 173 B19R1.3745 CCCCCCCCCCCCCCN1CCCC1 MCULE-8909513479 [0,0,0,1,0,0|2,0,0]=3 174 B19R1.3745 [NH+]1(CCCC1)CCCCCCCCCCCCCC MCULE-8048138952 [0,0,0,1,0,0|2,0,0]=3 175 B19R1.15472 CCCCCCCCCCCC1=NCCN1CCO MCULE-7552339262 [0,0,0,1,0,0|2,0,1]=4 176 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [0,0,0,1,0,0|1,0,1]=3 177 B19R1.27373 CCCCCCCCCCCCN1CCCCC1=O MCULE-6329381758 [0,0,0,1,0,0|1,0,2]=4 178 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 MCULE-1843981676 [0,0,0,1,0,0|0,0,0]=1 179 B19R1.46520 CCCCCCCCCCCCCCOCC1CO1 MCULE-7098726453 [0,0,0,1,0,0|1,0,0]=2 180 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O MCULE-9877242647 [0,0,0,1,0,0|0,0,2]=3 181 B19R1.47228 CCCCCCCCNC1CCCCCCC1=NO MCULE-6092279326 [0,0,0,1,0,0|2,0,1]=4 182 B19R1.47228 CCCCCCCCSC1CCCCCCC1=NO MCULE-4910554843 [0,0,0,1,0,0|2,0,1]=4 183 B16R0.303 BrCCCCCCCCCCCCCCCBr MCULE-7690331860 [2,0,0,0,0,0|2,0,0]=4 184 B16R0.303 C#CCCCCCCCCCCCCCCC MCULE-1536008008 [2,0,0,0,0,0|0,0,2]=4 185 B16R0.303 C=CCCCCCCCCCCCCCCC MCULE-3016072683 [2,0,0,0,0,0|0,0,2]=4 186 B16R0.303 CCCC/C=C/CCCCCCCCCCO MCULE-5377938706 [2,0,0,0,0,0|0,0,2]=4 187 B16R0.303 CCCC/C=C\CCCCCCCCCCO MCULE-6615475789 [2,0,0,0,0,0|0,0,2]=4 188 B16R0.303 CCCCC#CCCCCCCCCCCO MCULE-7633083833 [2,0,0,0,0,0|0,0,2]=4 189 B16R0.303 CCCCC=CCCCCCCCCCCO MCULE-9055680228 [2,0,0,0,0,0|0,0,2]=4 190 B16R0.303 CCCCCCC/C=C/CCCCCCCC MCULE-3851307693 [2,0,0,0,0,0|0,0,2]=4 191 B16R0.303 CCCCCCC=CCCCCCCCCO MCULE-2420123615 [2,0,0,0,0,0|0,0,2]=4 192 B16R0.303 CCCCCCCC=CCCCCCCCC MCULE-8207675419 [2,0,0,0,0,0|0,0,2]=4 193 B16R0.303 CCCCCCCCC#CCCCCCCO MCULE-7786778206 [2,0,0,0,0,0|0,0,2]=4 194 B16R0.303 CCCCCCCCCCCCCCCC#N MCULE-6973931298 [2,0,0,0,0,0|1,0,1]=4 195 B16R0.303 CCCCCCCCCCCCCCCC=O MCULE-1337115097 [2,0,0,0,0,0|0,0,2]=4 196 B16R0.303 CCCCCCCCCCCCCCCCBr MCULE-7970004064 [2,0,0,0,0,0|1,0,0]=3 197 B16R0.303 CCCCCCCCCCCCCCCCC MCULE-3718944215 [2,0,0,0,0,0|0,0,0]=2 198 B16R0.303 CCCCCCCCCCCCCCCCCl MCULE-6806630762 [2,0,0,0,0,0|1,0,0]=3 199 B16R0.303 CCCCCCCCCCCCCCCCI MCULE-7905733232 [2,0,0,0,0,0|1,0,0]=3 200 B16R0.303 CCCCCCCCCCCCCCCCN MCULE-2718073245 [2,0,0,0,0,0|1,0,0]=3 201 B16R0.303 CCCCCCCCCCCCCCCCO MCULE-9457426256 [2,0,0,0,0,0|0,0,0]=2 202 B16R0.303 CCCCCCCCCCCCCCCCS MCULE-4288584728 [2,0,0,0,0,0|0,1,0]=3 203 B16R0.303 CCCCCCCCCCCCNCCCN MCULE-3001697150 [2,0,0,0,0,0|2,0,0]=4 204 B16R0.303 CCCCCCCCCCCCOCCCN MCULE-9349081748 [2,0,0,0,0,0|2,0,0]=4 205 B16R0.303 CCCCCCCCCCCCSCCCO MCULE-5140051072 [2,0,0,0,0,0|1,0,0]=3 206 B16R0.303 CCCCCCCCCCCC[NH2+]CCCC MCULE-3589394033 [2,0,0,0,0,0|1,0,0]=3 207 B16R0.303 CCCCCCCCCCCC[NH2+]CCCC MCULE-8680690151 [2,0,0,0,0,0|1,0,0]=3 208 B16R0.303 CCCCCCCCCCCC[NH2+]CCCCl MCULE-2363035840 [2,0,0,0,0,0|2,0,0]=4 209 B16R0.303 CCCCCCCCCCCC[NH2+]CCCCl MCULE-9418570773 [2,0,0,0,0,0|2,0,0]=4 210 B16R0.303 CCCCCCCCCCNCCOCCO MCULE-8259765985 [2,0,0,0,0,0|2,0,0]=4 211 B16R0.303 CCCCCCCCCCOCCOCCO MCULE-7547044004 [2,0,0,0,0,0|2,0,0]=4 212 B16R0.303 CCCCCCCCCCSCCOCCO MCULE-8507672081 [2,0,0,0,0,0|2,0,0]=4 213 B16R0.303 CCCCCCCCNCCCCCCCC MCULE-4493002162 [2,0,0,0,0,0|1,0,0]=3 214 B16R0.303 CCCCCCCCOCCCCCCCC MCULE-1626708169 [2,0,0,0,0,0|1,0,0]=3 215 B16R0.303 CCCCCCCCSCCCCCCCC MCULE-5901093421 [2,0,0,0,0,0|1,0,0]=3 216 B16R0.303 CCCCCCCCSCCCCCCCO MCULE-8968963881 [2,0,0,0,0,0|1,0,0]=3 217 B16R0.303 CCCCCCSCCCSCCCCCC MCULE-1761827361 [2,0,0,0,0,0|2,0,0]=4 218 B16R0.303 OCCCCCCCCCCCCCCCBr MCULE-4806172404 [2,0,0,0,0,0|1,0,0]=3 219 B16R0.303 OCCCCCCCCCCCCCCCO MCULE-2337452795 [2,0,0,0,0,0|1,0,0]=3 220 B16R0.303 [NH3+]CCCOCCCCCCCCCCCC MCULE-9082677353 [2,0,0,0,0,0|2,0,0]=4 221 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC MCULE-3321531994 [1,1,0,0,0,0|1,0,1]=4 222 B18R0.110 CCCCCCCCCCCCCCC(O)CCO MCULE-1422813299 [1,1,0,0,0,0|0,0,0]=2 223 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC MCULE-9243465329 [1,1,0,0,0,0|1,0,1]=4 224 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC MCULE-2282587787 [1,1,0,0,0,0|1,0,1]=4 225 B18R0.171 COC(=O)CCCCCCCCCCCCCCO MCULE-7795037428 [1,1,0,0,0,0|1,0,1]=4 226 B18R0.176 C=C(C)CCCCCCCCCCCCCCCC MCULE-1892085325 [1,1,0,0,0,0|0,0,1]=3 227 B18R0.176 CC(C)CCCCCCCCCCCCCCCO MCULE-6059147214 [1,1,0,0,0,0|0,0,0]=2 228 B18R0.176 CCCCCCCCCCCCCCCCB(O)O MCULE-2099476935 [1,1,0,0,0,0|1,0,0]=3 229 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [1,1,0,0,0,0|0,0,2]=4 230 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [1,1,0,0,0,0|0,0,2]=4 231 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [1,1,0,0,0,0|0,0,1]=3 232 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [1,1,0,0,0,0|0,0,2]=4 233 B18R0.176 CCCCCCCCCCCCCCCCN(=O)=O MCULE-7589734060 [1,1,0,0,0,0|1,0,1]=4 234 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-2205932096 [1,1,0,0,0,0|1,0,0]=3 235 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-5534646497 [1,1,0,0,0,0|1,0,0]=3 236 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [1,1,0,0,0,0|1,0,1]=4 237 B18R0.176 CCCCCCCCCCCCCCNCC(C)O MCULE-3623779879 [1,1,0,0,0,0|1,0,0]=3 238 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [1,1,0,0,0,0|1,0,1]=4 239 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [1,1,0,0,0,0|1,0,1]=4 240 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [1,1,0,0,0,0|1,0,1]=4 241 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [1,1,0,0,0,0|1,0,1]=4 242 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [1,1,0,0,0,0|1,0,1]=4 243 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [1,1,0,0,0,0|1,0,1]=4 244 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [1,1,0,0,0,0|1,0,1]=4 245 B18R0.3155 C=CCCCCCCCCCCC[C@@H](C)CCCC MCULE-5868919082 [1,1,0,0,0,0|0,0,2]=4 246 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCO MCULE-9095389474 [1,1,0,0,0,0|1,0,1]=4 247 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCC MCULE-2136464867 [1,1,0,0,0,0|1,0,1]=4 248 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCO MCULE-8058925190 [1,1,0,0,0,0|1,0,1]=4 249 B18R0.7792 CCCCCCCCCCCC(=O)OCCCCC MCULE-7976693067 [1,1,0,0,0,0|1,0,1]=4 250 B18R0.11621 CCCCCCCCCC(O)CCCCCCCC MCULE-3839358113 [1,1,0,0,0,0|0,0,0]=2 251 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC MCULE-3916038569 [0,2,0,0,0,0|1,0,1]=4 252 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCCl MCULE-4551655923 [0,2,0,0,0,0|1,0,1]=4 253 B20R0.2932 C=CCCCCCCCCCCCCCCCCCCC MCULE-4267987318 [0,2,0,0,0,0|1,0,0]=3 254 B20R0.2932 C=COCCCCCCCCCCCCCCCCCC MCULE-5575330602 [0,2,0,0,0,0|0,0,0]=2 255 B20R0.2932 CCCCCCCCCCCCCCCCCCCC=O MCULE-2583593775 [0,2,0,0,0,0|0,0,1]=3 256 B20R0.2932 CCCCCCCCCCCCCCCCCCCCBr MCULE-7868045769 [0,2,0,0,0,0|1,0,0]=3 257 B20R0.2932 CCCCCCCCCCCCCCCCCCCCC MCULE-3230962872 [0,2,0,0,0,0|1,0,0]=3 258 B20R0.2932 CCCCCCCCCCCCCCCCCCCCCl MCULE-6684617118 [0,2,0,0,0,0|1,0,0]=3 259 B20R0.2932 CCCCCCCCCCCCCCCCCCCCN MCULE-6786366889 [0,2,0,0,0,0|1,0,0]=3 260 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO MCULE-7922551976 [0,2,0,0,0,0|0,0,0]=2 261 B20R0.2932 CCCCCCCCCCCCCCCCCCCCS MCULE-8563857815 [0,2,0,0,0,0|0,1,0]=3 262 B20R0.2932 CCCCCCCCCCCCCCCCCCN=C=O MCULE-4764885390 [0,2,0,0,0,0|0,0,1]=3 263 B20R0.2932 CCCCCCCCCCCCCCCCCCN=C=S MCULE-7624018117 [0,2,0,0,0,0|0,1,0]=3 264 B20R0.2932 CCCCCCCCCCCCCCCCCCNC=O MCULE-3205565522 [0,2,0,0,0,0|0,0,1]=3 265 B20R0.2932 CCCCCCCCCCCCCCCCNCCC#N MCULE-6278186399 [0,2,0,0,0,0|1,0,0]=3 266 B20R0.2932 CCCCCCCCCCCCCCCCNCCCC MCULE-4030338906 [0,2,0,0,0,0|1,0,0]=3 267 B20R0.2932 CCCCCCCCCCCCCCCCNCCCN MCULE-4950352025 [0,2,0,0,0,0|1,0,0]=3 268 B20R0.2932 CCCCCCCCCCCCCCCCNCCCO MCULE-4308349339 [0,2,0,0,0,0|0,0,0]=2 269 B20R0.2932 CCCCCCCCCCCCCCCCOCCCO MCULE-8496439735 [0,2,0,0,0,0|0,0,0]=2 270 B20R0.2932 CCCCCCCCCCCOCCOCCOCCCl MCULE-7028789244 [0,2,0,0,0,0|2,0,0]=4 271 B20R0.2932 CCCCCCCCCCNCCCCCCCCCC MCULE-4175489428 [0,2,0,0,0,0|1,0,0]=3 272 B20R0.2932 CCCCCCCCCCNCCCCCCCCCC MCULE-9414456668 [0,2,0,0,0,0|1,0,0]=3 273 B20R0.2932 CCCCCCCCCCOCCCCCCCCCC MCULE-3236292237 [0,2,0,0,0,0|1,0,0]=3 274 B20R0.2932 CCCCCCCCCCOCCOCCOCCOC MCULE-4534474684 [0,2,0,0,0,0|2,0,0]=4 275 B20R0.2932 CCCCCCCCCCSCCCCCCCCCC MCULE-5643913334 [0,2,0,0,0,0|1,0,0]=3 276 B20R0.2932 CCCCCCCCOCCOCCOCCOCCO MCULE-2414173766 [0,2,0,0,0,0|2,0,0]=4 277 B20R0.2932 CCCCCCCCSCCOCCOCCOCCO MCULE-5323566379 [0,2,0,0,0,0|2,0,0]=4 278 B20R0.2932 CCCCCCCNCCSCCNCCCCCCC MCULE-3379326452 [0,2,0,0,0,0|2,0,0]=4 279 B20R0.2932 CCCCCCCOCCOCCSCCCCCCC MCULE-9687820567 [0,2,0,0,0,0|2,0,0]=4 280 B20R0.2932 CCCCCCCOCCSCCOCCCCCCC MCULE-4105412204 [0,2,0,0,0,0|2,0,0]=4 281 B20R0.2932 OCCCCCCCCCCCCCCCCCCCO MCULE-7817124881 [0,2,0,0,0,0|0,0,0]=2 282 B20R0.2932 OCCCCOCCCCOCCCCOCCCCO MCULE-6007696587 [0,2,0,0,0,0|2,0,0]=4 283 B20R0.2932 [NH2+](CCCC)CCCCCCCCCCCCCCCC MCULE-7372521878 [0,2,0,0,0,0|1,0,0]=3 284 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC MCULE-5204951477 [0,2,0,0,0,0|0,0,2]=4 285 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN MCULE-7304182763 [0,2,0,0,0,0|0,0,2]=4 286 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [0,2,0,0,0,0|0,0,1]=3 287 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CBr MCULE-7521933233 [0,2,0,0,0,0|1,0,1]=4 288 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CCl MCULE-5931265179 [0,2,0,0,0,0|1,0,1]=4 289 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CC MCULE-9277107250 [0,2,0,0,0,0|1,0,1]=4 290 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CCl MCULE-6893410852 [0,2,0,0,0,0|1,0,1]=4 291 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO MCULE-1486220691 [0,2,0,0,0,0|0,0,1]=3 292 B20R0.10415 CCCCCCCCCCOC(=O)CCCCCCCC MCULE-8320881747 [0,2,0,0,0,0|1,0,1]=4 293 B20R0.31940 CCCCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7761893081 [0,2,0,0,0,0|0,0,2]=4 294 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O MCULE-7486728155 [0,2,0,0,0,0|0,0,2]=4 295 B20R0.31940 CCCCCCCCCCCCCCCCCCB(O)O MCULE-4425312913 [0,2,0,0,0,0|0,0,0]=2 296 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)C MCULE-6612200716 [0,2,0,0,0,0|0,0,1]=3 297 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl MCULE-8687950753 [0,2,0,0,0,0|0,0,1]=3 298 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N MCULE-5930779500 [0,2,0,0,0,0|0,0,1]=3 299 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O MCULE-3651545554 [0,2,0,0,0,0|0,0,0]=2 300 B20R0.31940 CCCCCCCCCCCCCCCCCCN(=O)=O MCULE-9592584788 [0,2,0,0,0,0|0,0,1]=3 301 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-4319530167 [0,2,0,0,0,0|1,0,0]=3 302 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-5200671605 [0,2,0,0,0,0|1,0,0]=3 303 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-9874389731 [0,2,0,0,0,0|1,0,0]=3 304 B20R0.31940 CCCCCCCCCCCCCCCCCOC(=O)C MCULE-9059316294 [0,2,0,0,0,0|0,0,2]=4 305 B20R0.31940 CCCCCCCCCCCCCCCCNCC(C)O MCULE-7139978545 [0,2,0,0,0,0|0,0,0]=2 306 B20R0.31940 CCCCCCCCCCCCNCCCCCC(=O)O MCULE-2808072086 [0,2,0,0,0,0|0,0,1]=3 307 B20R0.31940 CCCCCCCNCCCCCCCCCCC(=O)O MCULE-1452338178 [0,2,0,0,0,0|0,0,1]=3 308 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCBr MCULE-1900787768 [0,2,0,0,0,0|0,0,1]=3 309 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO MCULE-7843488730 [0,2,0,0,0,0|0,0,1]=3 310 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCS MCULE-8278921645 [0,2,0,0,0,0|0,0,1]=3 311 B20R0.31962 CCCCCCCCCCN(C)CCOCCOCCO MCULE-1712193007 [0,2,0,0,0,0|2,0,0]=4 312 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC MCULE-2937146497 [0,2,0,0,0,0|1,0,1]=4 313 B20R0.31962 CCCCCCCCCOC(=O)CCCCCCCCC MCULE-6987366501 [0,2,0,0,0,0|1,0,1]=4 314 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCO MCULE-1978521574 [0,2,0,0,0,0|0,0,1]=3 315 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCCl MCULE-6535225374 [0,2,0,0,0,0|1,0,1]=4 316 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCO MCULE-7056405953 [0,2,0,0,0,0|0,0,1]=3 317 B20R0.32083 CCCCCCCCCCCCCCCC(=O)SCCO MCULE-3908690662 [0,2,0,0,0,0|0,0,1]=3 318 B20R0.112 C(=C/[C@@H](O)[C@@H](N)CO)\CCCCCCCCCCCCC MCULE-5265407589 [0,2,0,0,0,0|0,0,2]=4 319 B20R0.112 CCCCCCCCCCCCC/C=C/C(O)C(N)CO MCULE-2515026718 [0,2,0,0,0,0|0,0,2]=4 320 B20R0.112 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO MCULE-7184041607 [0,2,0,0,0,0|0,0,2]=4 321 B20R0.112 CCCCCCCCCCCCCC#CC(O)C(N)CO MCULE-9692474251 [0,2,0,0,0,0|0,0,2]=4 322 B20R0.112 CCCCCCCCCCCCCC=CC(O)C(N)CO MCULE-9621364971 [0,2,0,0,0,0|0,0,2]=4 323 B20R0.112 CCCCCCCCCCCCCC=CC(O)C(N)CO MCULE-9650357480 [0,2,0,0,0,0|0,0,2]=4 324 B20R0.112 CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO MCULE-1553755500 [0,2,0,0,0,0|0,0,2]=4 325 B20R0.112 CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO MCULE-6548490238 [0,2,0,0,0,0|0,0,2]=4 326 B20R0.112 CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO MCULE-8068110092 [0,2,0,0,0,0|0,0,2]=4 327 B20R0.112 CCCCCCCCCCCCCC=C[C@H](O)[C@@H](N)CO MCULE-2018410876 [0,2,0,0,0,0|0,0,2]=4 328 B20R0.112 CCCCCCCCCCCCCC=C[C@H](O)[C@H](N)CO MCULE-2556123115 [0,2,0,0,0,0|0,0,2]=4 329 B20R0.112 CCCCCCCCCCCCCCCC(=O)C(N)CO MCULE-3845641330 [0,2,0,0,0,0|0,0,1]=3 330 B20R0.112 CCCCCCCCCCCCCCCC(=O)C(N)CO MCULE-8054726480 [0,2,0,0,0,0|0,0,1]=3 331 B20R0.112 CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO MCULE-6138495940 [0,2,0,0,0,0|0,0,1]=3 332 B20R0.112 CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO MCULE-8795610832 [0,2,0,0,0,0|0,0,1]=3 333 B20R0.112 CCCCCCCCCCCCCCCC(O)C(N)CO MCULE-3630541438 [0,2,0,0,0,0|0,0,0]=2 334 B20R0.112 CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO MCULE-3625278871 [0,2,0,0,0,0|0,0,0]=2 335 B20R0.112 CCCCCCCCCCCCCCC[C@@H](O)[C@H](N)CO MCULE-3195674644 [0,2,0,0,0,0|0,0,0]=2 336 B20R0.112 CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO MCULE-1565370355 [0,2,0,0,0,0|0,0,0]=2 337 B20R0.112 CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO MCULE-6712943117 [0,2,0,0,0,0|0,0,0]=2 338 B20R0.112 CCCCCCCCCCCCCCC[C@H](O)[C@H](N)CO MCULE-5576363565 [0,2,0,0,0,0|0,0,0]=2 339 B20R0.112 [C@H](N)(CO)[C@H](O)CCCCCCCCCCCCCCC MCULE-2216168794 [0,2,0,0,0,0|0,0,0]=2 340 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O MCULE-2391452296 [0,2,0,0,0,0|0,0,1]=3 341 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)Cl MCULE-5415927928 [0,2,0,0,0,0|0,0,2]=4 342 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-9187669622 [0,2,0,0,0,0|0,0,1]=3 343 B20R0.3037 CCCCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-5489236535 [0,2,0,0,0,0|0,0,1]=3 344 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-2412559497 [0,2,0,0,0,0|0,0,1]=3 345 B20R0.22320 CCCCCCCCCCCCCC(=O)OCC(O)CO MCULE-3694237093 [0,2,0,0,0,0|1,0,1]=4 346 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)C MCULE-4864635707 [0,2,0,0,0,0|0,0,2]=4 347 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)O MCULE-2714583803 [0,2,0,0,0,0|0,0,1]=3 348 B20R0.32994 CCCCCCCCCCCCCCCC[N+](C)(C)CC MCULE-1818242321 [0,2,0,0,0,0|2,0,0]=4 349 B20R0.32994 CCCCCCCCCCCCCCCC[N+](C)(C)CC MCULE-2376421825 [0,2,0,0,0,0|2,0,0]=4 350 B20R0.32994 CCCCCCCCCCCCCCCC[N+](C)(C)CC MCULE-4863974742 [0,2,0,0,0,0|2,0,0]=4 351 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-8826251310 [0,2,0,0,0,0|0,0,2]=4 352 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O MCULE-8431505935 [0,2,0,0,0,0|0,0,1]=3 353 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)O MCULE-1566577041 [0,2,0,0,0,0|0,0,2]=4 354 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O MCULE-9965131742 [0,2,0,0,0,0|0,0,1]=3 355 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-3302391414 [0,2,0,0,0,0|0,0,2]=4 356 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-5748846792 [0,2,0,0,0,0|0,0,2]=4 357 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O MCULE-8568594657 [0,2,0,0,0,0|0,0,2]=4 358 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(=O)O MCULE-5539838856 [0,2,0,0,0,0|0,0,1]=3 359 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-4092969179 [0,2,0,0,0,0|0,0,1]=3 360 B20R0.10422 CCCCCCCCCCCC(=O)CCCCCC(=O)O MCULE-7546735332 [0,2,0,0,0,0|0,0,2]=4 361 B20R0.17440 CCCCCCCCCC(=O)CCCCCCCC(=O)O MCULE-9953422548 [0,2,0,0,0,0|0,0,2]=4 362 B20R0.17440 CCCCCCCCCC(O)CCCCCCCC(=O)O MCULE-4076526032 [0,2,0,0,0,0|0,0,1]=3 363 B20R0.22238 CCCCCCCCCCCCC(O)CCCCC(=O)O MCULE-1743910978 [0,2,0,0,0,0|0,0,1]=3 364 B20R0.32069 CCCCCCCC(O)CCCCCCCCCC(=O)O MCULE-4849469492 [0,2,0,0,0,0|0,0,1]=3 365 B20R0.32509 CCCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-6276478272 [0,2,0,0,0,0|2,0,0]=4 366 B20R0.32509 CCCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-8228526228 [0,2,0,0,0,0|2,0,0]=4 367 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)O MCULE-1298294906 [0,2,0,0,0,0|2,0,0]=4 368 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])O MCULE-1694896141 [0,2,0,0,0,0|2,0,0]=4 369 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O MCULE-7351642049 [0,2,0,0,0,0|0,0,2]=4 370 B20R0.32990 CCCCCC(O)CCCCCCCCCCCC(=O)O MCULE-1833542033 [0,2,0,0,0,0|0,0,1]=3 371 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O MCULE-8317997046 [0,2,0,0,0,0|0,0,1]=3 372 B20R0.9755 CCCCCCCCCCC(CBr)CCCCCCCC MCULE-2927745554 [0,2,0,0,0,0|1,0,0]=3 373 B20R0.9755 CCCCCCCCCCC(CI)CCCCCCCC MCULE-4632657267 [0,2,0,0,0,0|1,0,0]=3 374 B20R0.9755 CCCCCCCCCCC(CN)CCCCCCCC MCULE-7455441630 [0,2,0,0,0,0|1,0,0]=3 375 B20R0.9755 CCCCCCCCCCC(CO)CCCCCCCC MCULE-9887168174 [0,2,0,0,0,0|1,0,0]=3 376 B20R0.28543 CCCCCCCCCC[N+](C)(C)CCCCCCCC MCULE-5395377961 [0,2,0,0,0,0|2,0,0]=4 377 B20R0.28543 CCCCCCCCCC[N+](C)(C)CCCCCCCC MCULE-8777887500 [0,2,0,0,0,0|2,0,0]=4 378 B20R0.16960 CCCCCCCCCS(=O)(=O)CCCCCCCCC MCULE-7037827012 [0,2,0,0,0,0|2,0,0]=4 379 B20R0.33213 CCCCCCCCCN(CCCCCCCCC)N=O MCULE-3126025868 [0,2,0,0,0,0|2,0,0]=4 380 B20R0.32501 CCCCCCCCCCCCCCC(CCl)OCCCl MCULE-3287965673 [0,2,0,0,0,0|2,0,0]=4 381 B20R0.32501 CCCCCCCCCCCCCCC(CCl)OCCO MCULE-5621594820 [0,2,0,0,0,0|1,0,0]=3 382 B18R1.292 CCCCCCCCCCOCCN1CCCC1 MCULE-3868954161 [1,0,0,1,0,0|2,0,0]=4 383 B18R1.292 CCCCCCCCCCOCC[NH+]1CCCC1 MCULE-1716721903 [1,0,0,1,0,0|2,0,0]=4 384 B18R1.317 CCCCCCCCCCCN1CCNCC1C MCULE-1849408546 [1,0,0,1,0,0|2,0,0]=4 385 B18R1.1261 CCCCCCCCCCCCC1CCCCC1 MCULE-4448428504 [1,0,0,1,0,0|0,0,0]=2 386 B18R1.1261 CCCCCCCCCCCCN1CCCCC1 MCULE-5206980916 [1,0,0,1,0,0|1,0,0]=3 387 B18R1.1261 CCCCCCCCCCCCN1CCNCC1 MCULE-2706732423 [1,0,0,1,0,0|2,0,0]=4 388 B18R1.1261 CCCCCCCCCCCCN1CCOCC1 MCULE-9847891062 [1,0,0,1,0,0|2,0,0]=4 389 B18R1.1261 CCCCCCCCCCCC[NH+]1CCOCC1 MCULE-2525399907 [1,0,0,1,0,0|2,0,0]=4 390 B18R1.1261 OCCCCCCCCCCCN1CCCCC1 MCULE-5559336075 [1,0,0,1,0,0|1,0,0]=3 391 B18R1.1843 O=C1CCCCCCCCCCCCCCC1O MCULE-2328305728 [1,0,0,1,0,0|1,0,1]=4 392 B18R1.13144 CCCCCCCCCCCN1CCCNCC1 MCULE-1308586200 [1,0,0,1,0,0|2,0,0]=4 393 B18R1.13144 CCCCCCCCCCC[NH+]1CCCCCC1 MCULE-1305555028 [1,0,0,1,0,0|1,0,0]=3 394 B18R1.13144 CCCCCCCCCCC[NH+]1CCCCCC1 MCULE-5944104252 [1,0,0,1,0,0|1,0,0]=3 395 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 MCULE-4312908702 [1,0,0,1,0,0|1,0,1]=4 396 B20R1.3310 CCCCCCCCCCCCCCC1CCCCC1 MCULE-1287159082 [0,1,0,1,0,0|1,0,0]=3 397 B20R1.3310 CCCCCCCCCCCCCCN1CCCCC1 MCULE-7423800245 [0,1,0,1,0,0|1,0,0]=3 398 B20R1.3310 CCCCCCCCCCCCCCN1CCNCC1 MCULE-9649029766 [0,1,0,1,0,0|2,0,0]=4 399 B20R1.3310 CCCCCCCCCCCCCCN1CCOCC1 MCULE-4851976252 [0,1,0,1,0,0|2,0,0]=4 400 B20R1.3310 CCCCCCCCCCCCCC[NH+]1CCCCC1 MCULE-4907116184 [0,1,0,1,0,0|1,0,0]=3 401 B20R1.3329 CCCCCCCCCCCCN1CCCCCC1=O MCULE-5398835942 [0,1,0,1,0,0|0,0,2]=4 402 B20R1.4532 CCCCCCCCCCCCC1CCCCC1=NO MCULE-2161507380 [0,1,0,1,0,0|0,0,1]=3 403 B20R1.8322 CCCCCCCCCCCCOCCN1CCCC1 MCULE-8612721262 [0,1,0,1,0,0|2,0,0]=4 404 B20R1.8322 CCCCCCCCCCCCOCC[NH+]1CCCC1 MCULE-9381595392 [0,1,0,1,0,0|2,0,0]=4 405 B20R1.108959 C1CCOCCCCOCCCCOCCCCOC1 MCULE-1299057216 [0,1,0,1,0,0|2,0,0]=4 406 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 MCULE-6794732521 [0,1,0,1,0,0|0,0,1]=3 407 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 MCULE-8092098189 [0,1,0,1,0,0|0,0,1]=3 408 B20R1.58016 CCCCCCC1CCCC1CCCCCCC(=O)O MCULE-9548075936 [0,1,0,1,0,0|0,0,1]=3 409 B20R1.66793 CCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(C)C MCULE-2907163818 [0,1,0,1,0,0|2,0,0]=4 410 B20R1.66793 CCCCCCCCCC[C@H]1O[C@H]1CCCCC(C)C MCULE-8571166119 [0,1,0,1,0,0|2,0,0]=4 411 B20R1.3378 CCCCCCCCCCCCNC(=O)C1CCCO1 MCULE-8701155902 [0,1,0,1,0,0|1,0,1]=4 412 B20R1.768545 C[N+]1(CCCC1)CCCCCCCCCCCCCO MCULE-3400321107 [0,1,0,1,0,0|1,0,0]=3 413 B20R1.768545 C[N+]1(CCCC1)CCCCCCCCCCCCCO MCULE-8319578121 [0,1,0,1,0,0|1,0,0]=3