0 B19R0.182 C=COC(=O)CCCCCCCCCCCCCCC MCULE-2966237485 [0,0,0,0,0,0|0,0,2]=2 1 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-3295314962 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC MCULE-7712829052 [0,0,0,0,0,0|0,0,2]=2 3 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC MCULE-8045613210 [0,0,0,0,0,0|0,0,0]=0 4 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCCl MCULE-1596942672 [0,0,0,0,0,0|1,0,0]=1 5 B19R0.182 CCCCCCCCCCCCCCOC(=O)CCC MCULE-9781248122 [0,0,0,0,0,0|2,0,0]=2 6 B19R0.182 CCCCCCCCCCCCNCCC(=O)OCC MCULE-4138162164 [0,0,0,0,0,0|1,0,0]=1 7 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC MCULE-3321531994 [1,0,0,0,0,0|0,0,0]=1 8 B18R0.110 CCCCCCCCCCCCCCC(=O)OCCl MCULE-7954802898 [1,0,0,0,0,0|1,0,0]=2 9 B18R0.110 CCCCCCCCCCCCNCC(=O)OCC MCULE-5933972937 [1,0,0,0,0,0|1,0,0]=2 10 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC MCULE-8432213938 [1,0,0,0,0,0|1,0,2]=4 11 B18R0.171 CCCCCC/C=C/CCCCCCCC(=O)OC MCULE-3684696083 [1,0,0,0,0,0|0,0,2]=3 12 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)OC MCULE-8655264522 [1,0,0,0,0,0|0,0,2]=3 13 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC MCULE-5533097898 [1,0,0,0,0,0|0,0,2]=3 14 B18R0.171 CCCCCCCCC=CCCCCCC(=O)OC MCULE-7280995327 [1,0,0,0,0,0|0,0,2]=3 15 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC MCULE-9243465329 [1,0,0,0,0,0|1,0,0]=2 16 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN MCULE-7345615974 [1,0,0,0,0,0|2,0,0]=3 17 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC MCULE-2282587787 [1,0,0,0,0,0|0,0,0]=1 18 B18R0.171 CCCCCCCCCCCCCCOC(=O)CCl MCULE-3654885097 [1,0,0,0,0,0|2,0,0]=3 19 B18R0.171 COC(=O)CCCCCCCCCCCCCCBr MCULE-4104671169 [1,0,0,0,0,0|1,0,0]=2 20 B18R0.171 COC(=O)CCCCCCCCCCCCCCO MCULE-7795037428 [1,0,0,0,0,0|1,0,0]=2 21 B18R0.171 NNC(=O)CCCCCCCCCCCCCCO MCULE-3879943616 [1,0,0,0,0,0|3,0,0]=4 22 B18R0.221 C=COCCCCCCCCCCCCCCCC MCULE-8067527635 [1,0,0,0,0,0|0,0,3]=4 23 B18R0.221 CCCCCCCCCCCCCCCC#CCO MCULE-9312932131 [1,0,0,0,0,0|2,0,1]=4 24 B18R0.221 CCCCCCCCCCCCCCCCCCBr MCULE-1698743735 [1,0,0,0,0,0|2,0,1]=4 25 B18R0.221 CCCCCCCCCCCCCCCCCCC MCULE-7331201096 [1,0,0,0,0,0|1,0,1]=3 26 B18R0.221 CCCCCCCCCCCCCCCCCCCl MCULE-7660459113 [1,0,0,0,0,0|2,0,1]=4 27 B18R0.221 CCCCCCCCCCCCCCCCCCI MCULE-7219587354 [1,0,0,0,0,0|2,0,1]=4 28 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-1071635443 [1,0,0,0,0,0|2,0,1]=4 29 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-4763148758 [1,0,0,0,0,0|2,0,1]=4 30 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-6780490435 [1,0,0,0,0,0|2,0,1]=4 31 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [1,0,0,0,0,0|2,0,1]=4 32 B18R0.221 CCCCCCCCCCCCCCCCCCS MCULE-1398131164 [1,0,0,0,0,0|2,0,1]=4 33 B18R0.221 CCCCCCCCCCCCCCCCSCC MCULE-6430570072 [1,0,0,0,0,0|0,1,1]=3 34 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-2480939287 [1,0,0,0,0,0|2,0,1]=4 35 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-5858293059 [1,0,0,0,0,0|2,0,1]=4 36 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2182455098 [1,0,0,0,0,0|2,0,1]=4 37 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2737303457 [1,0,0,0,0,0|2,0,1]=4 38 B18R0.221 CCCCCCCCCSCCCCCCCCC MCULE-4540816041 [1,0,0,0,0,0|2,0,1]=4 39 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC MCULE-3916038569 [0,1,0,0,0,0|0,0,0]=1 40 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCCl MCULE-4551655923 [0,1,0,0,0,0|1,0,0]=2 41 B20R0.112 CCCCCCCCCCCCCCCC(=O)C(N)CO MCULE-3845641330 [0,1,0,0,0,0|2,0,0]=3 42 B20R0.112 CCCCCCCCCCCCCCCC(=O)C(N)CO MCULE-8054726480 [0,1,0,0,0,0|2,0,0]=3 43 B20R0.112 CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO MCULE-6138495940 [0,1,0,0,0,0|2,0,0]=3 44 B20R0.112 CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO MCULE-8795610832 [0,1,0,0,0,0|2,0,0]=3 45 B20R0.146 CCOC(=O)CCCCCCCCCCCC(=O)OCC MCULE-9758028182 [0,1,0,0,0,0|1,0,1]=3 46 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O MCULE-8568594657 [0,1,0,0,0,0|2,0,1]=4 47 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(C)C MCULE-2673572287 [0,1,0,0,0,0|1,0,0]=2 48 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C MCULE-5640904803 [0,1,0,0,0,0|0,0,0]=1 49 B20R0.2931 CCCCCCCCCCCCCCOC(=O)CC(=O)C MCULE-1362409325 [0,1,0,0,0,0|2,0,1]=4 50 B20R0.2931 CCCCCCCCCCCCCCOC(=O)C[NH+](C)C MCULE-1152240755 [0,1,0,0,0,0|3,0,0]=4 51 B20R0.2931 CCCCCCCCCCCCCCOC(=O)C[NH+](C)C MCULE-9338532162 [0,1,0,0,0,0|3,0,0]=4 52 B20R0.32083 CCCCCCC=CCCCCCCCC(=O)NCCO MCULE-2264957123 [0,1,0,0,0,0|1,0,2]=4 53 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCO MCULE-1978521574 [0,1,0,0,0,0|1,0,0]=2 54 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCCl MCULE-6535225374 [0,1,0,0,0,0|0,0,0]=1 55 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCO MCULE-7056405953 [0,1,0,0,0,0|0,0,0]=1 56 B20R0.32083 CCCCCCCCCCCCCCCC(=O)SCCO MCULE-3908690662 [0,1,0,0,0,0|0,1,0]=2 57 B20R0.32504 CCCCCCCCCCCCCCC(=O)C(=O)OCC MCULE-8200337310 [0,1,0,0,0,0|0,0,1]=2 58 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 MCULE-8092098189 [0,0,0,1,0,0|2,0,0]=3 59 B20R1.65958 CCCCCCCCCCCCCCN1CCOC1=O MCULE-6459130279 [0,0,0,1,0,0|1,0,0]=2 60 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [2,0,0,0,0,0|1,0,1]=4 61 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [2,0,0,0,0,0|0,0,1]=3 62 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [2,0,0,0,0,0|1,0,1]=4 63 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [2,0,0,0,0,0|1,0,1]=4 64 B17R0.117 CCCCCCCCCCCCCCCCNC MCULE-1285251874 [2,0,0,0,0,0|1,0,1]=4 65 B17R0.195 CCCCC=CCCCCCCCCC(=O)OC MCULE-1513743756 [2,0,0,0,0,0|0,0,2]=4 66 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr MCULE-8800475521 [2,0,0,0,0,0|1,0,0]=3 67 B17R0.195 CCCCCCCCCCCCCCC(=O)OC MCULE-6875676125 [2,0,0,0,0,0|0,0,0]=2 68 B17R0.250 C=COC(=O)CCCCCCCCCCCCC MCULE-1838888228 [2,0,0,0,0,0|0,0,2]=4 69 B17R0.250 CCCCCCCCCCCCCC(=O)CCC MCULE-6440839574 [2,0,0,0,0,0|1,0,0]=3 70 B17R0.250 CCCCCCCCCCCCCC(=O)OCC MCULE-3516792445 [2,0,0,0,0,0|0,0,0]=2 71 B17R0.250 CCCCCCCCCCCCCC(=O)OCCl MCULE-7381476592 [2,0,0,0,0,0|1,0,0]=3 72 B17R0.250 CCCCCCCCCCCCNC(=O)CCC MCULE-6235043360 [2,0,0,0,0,0|2,0,0]=4 73 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [2,0,0,0,0,0|0,0,2]=4 74 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [2,0,0,0,0,0|0,0,2]=4 75 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [2,0,0,0,0,0|1,0,0]=3 76 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [2,0,0,0,0,0|0,0,2]=4 77 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [2,0,0,0,0,0|0,0,2]=4 78 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [2,0,0,0,0,0|0,0,2]=4 79 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [2,0,0,0,0,0|0,0,2]=4 80 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [2,0,0,0,0,0|0,0,2]=4 81 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [2,0,0,0,0,0|0,0,2]=4 82 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [2,0,0,0,0,0|0,0,2]=4 83 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [2,0,0,0,0,0|0,0,2]=4 84 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [2,0,0,0,0,0|0,0,2]=4 85 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [2,0,0,0,0,0|0,0,2]=4 86 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [2,0,0,0,0,0|0,0,0]=2 87 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [2,0,0,0,0,0|1,0,0]=3 88 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [2,0,0,0,0,0|1,0,0]=3 89 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [2,0,0,0,0,0|0,0,0]=2 90 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [2,0,0,0,0,0|0,1,0]=3 91 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [2,0,0,0,0,0|0,0,1]=3 92 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [2,0,0,0,0,0|0,0,1]=3 93 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [2,0,0,0,0,0|0,0,1]=3 94 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [2,0,0,0,0,0|0,0,2]=4 95 B17R0.43 CCCCCCCCCCCCCCCN(C)C MCULE-9254230166 [2,0,0,0,0,0|2,0,0]=4 96 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [2,0,0,0,0,0|1,0,0]=3 97 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [2,0,0,0,0,0|1,0,0]=3 98 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [2,0,0,0,0,0|2,0,0]=4 99 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [2,0,0,0,0,0|1,0,0]=3 100 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [2,0,0,0,0,0|1,0,0]=3 101 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [2,0,0,0,0,0|1,0,0]=3 102 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [2,0,0,0,0,0|1,0,0]=3 103 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [2,0,0,0,0,0|1,0,0]=3 104 B19R0.25 CCOC(=O)CCCCCCCCCCC(=O)OCC MCULE-6752080111 [1,1,0,0,0,0|1,0,1]=4 105 B19R0.150 CCCCCCCCCCCCC(=O)CC(=O)OCC MCULE-1406981165 [1,1,0,0,0,0|0,0,1]=3 106 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCO MCULE-8182564625 [1,1,0,0,0,0|1,0,0]=3 107 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC MCULE-2350131012 [1,1,0,0,0,0|0,0,1]=3 108 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [1,1,0,0,0,0|0,0,0]=2 109 B19R0.148 CCCCCCCCCCCCSCCNC(=O)CCl MCULE-3710975872 [1,1,0,0,0,0|2,0,0]=4 110 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr MCULE-1850296129 [1,1,0,0,0,0|0,0,0]=2 111 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO MCULE-5067829702 [1,1,0,0,0,0|0,0,0]=2 112 B19R0.153 C=C(C)C(=O)OCCCCCCCCCCCCCC MCULE-1349397931 [1,1,0,0,0,0|1,0,1]=4 113 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C MCULE-3466523870 [1,1,0,0,0,0|1,0,0]=3 114 B19R0.153 CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N MCULE-4269937412 [1,1,0,0,0,0|0,0,2]=4 115 B19R0.153 CCCCCCCCCCCCCCOC(=O)C(C)C MCULE-4898940641 [1,1,0,0,0,0|1,0,0]=3 116 B19R0.153 CCCCCCCCCCCCCCOC(=O)C(C)O MCULE-2532326235 [1,1,0,0,0,0|1,0,0]=3 117 B19R0.3096 CCCCCCCCCCCCCC(=O)CC(=O)OC MCULE-7661392590 [1,1,0,0,0,0|0,0,1]=3 118 B19R0.3096 CCCCCCCCCCCCCC(O)CC(=O)OC MCULE-5393825907 [1,1,0,0,0,0|0,0,0]=2 119 B19R0.14260 CCCCCCC(C)CCCCCCCCC(=O)OC MCULE-4107751625 [1,1,0,0,0,0|0,0,0]=2 120 B19R0.21221 CCC(C)CCCCCCCCCCCCC(=O)OC MCULE-6647728292 [1,1,0,0,0,0|0,0,0]=2 121 B19R0.21221 COC(=O)CCCCCCCCCCCCC(=O)OC MCULE-8326405019 [1,1,0,0,0,0|1,0,1]=4 122 B19R0.21384 COC(=O)CCCCCCCCCCCCCC(C)C MCULE-8021878429 [1,1,0,0,0,0|0,0,0]=2 123 B19R0.36 CCC#CCCCCCCCCCCCCCCCC MCULE-5745224689 [1,1,0,0,0,0|1,0,1]=4 124 B19R0.36 CCCCCCCCCCCCCCCCCCCC MCULE-4659194332 [1,1,0,0,0,0|1,0,1]=4 125 B19R0.36 CCCCCCCCCCCCCCCCCCCN MCULE-2134609571 [1,1,0,0,0,0|1,0,1]=4 126 B19R0.36 CCCCCCCCCCCCCCCCCCCO MCULE-6992104307 [1,1,0,0,0,0|1,0,1]=4 127 B19R0.36 CCCCCCCCCCCCCCCCCCNC MCULE-7372383680 [1,1,0,0,0,0|1,0,1]=4 128 B19R0.36 CCCCCCCCCCCCCCCCCCNC MCULE-9697487367 [1,1,0,0,0,0|1,0,1]=4 129 B19R0.36 CCCCCCCCCCCCCCCCNCCO MCULE-2098020562 [1,1,0,0,0,0|1,0,1]=4 130 B19R0.36 CCCCCCCCCCCCCCCCNCCO MCULE-9219383518 [1,1,0,0,0,0|1,0,1]=4 131 B19R0.36 CCCCCCCCCCCCCCCCOCCO MCULE-8116144329 [1,1,0,0,0,0|0,0,1]=3 132 B19R0.36 CCCCCCCCCCCCCCNCCCCC MCULE-7245951059 [1,1,0,0,0,0|1,0,1]=4 133 B19R0.36 CCCCCCCCCCCCCC[NH2+]CCOCC MCULE-1808105141 [1,1,0,0,0,0|0,0,1]=3 134 B19R0.36 CCCCCCCCCCCCCC[NH2+]CCOCC MCULE-9270101302 [1,1,0,0,0,0|0,0,1]=3 135 B19R0.36 [NH2+](CCO)CCCCCCCCCCCCCCCC MCULE-3078531807 [1,1,0,0,0,0|1,0,1]=4 136 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N MCULE-5176481050 [1,1,0,0,0,0|1,0,1]=4 137 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C MCULE-2014547712 [1,1,0,0,0,0|1,0,1]=4 138 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C MCULE-4238475982 [1,1,0,0,0,0|1,0,1]=4 139 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C MCULE-2100485792 [1,1,0,0,0,0|0,0,2]=4 140 B19R0.23229 CCCCCCCCCCC(O)CCCCCCCC MCULE-8412489803 [1,1,0,0,0,0|1,0,1]=4 141 B19R0.26208 CCCCCCCCCC(N)CCCCCCCCC MCULE-2479497995 [1,1,0,0,0,0|1,0,1]=4 142 B19R0.26208 CCCCCCCCCC(O)CCCCCCCCC MCULE-6565530891 [1,1,0,0,0,0|1,0,1]=4 143 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC MCULE-3805960874 [0,2,0,0,0,0|0,0,2]=4 144 B21R0.2907 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC MCULE-7544559322 [0,2,0,0,0,0|0,0,2]=4 145 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC MCULE-4304799829 [0,2,0,0,0,0|0,0,2]=4 146 B21R0.2907 CCCCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-9535038485 [0,2,0,0,0,0|0,0,0]=2 147 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)NCC MCULE-9596411884 [0,2,0,0,0,0|1,0,0]=3 148 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC MCULE-3486771028 [0,2,0,0,0,0|0,0,0]=2 149 B21R0.2907 CCCCCCCCCCCC=CCCCCC(=O)OCC MCULE-2240739017 [0,2,0,0,0,0|0,0,0]=2 150 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC MCULE-3414589628 [0,2,0,0,0,0|0,0,0]=2 151 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCCl MCULE-5709243578 [0,2,0,0,0,0|1,0,0]=3 152 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI MCULE-4466117960 [0,2,0,0,0,0|1,0,0]=3 153 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCO MCULE-9792925645 [0,2,0,0,0,0|1,0,0]=3 154 B21R0.36262 CCCCCCCCCCCCCCC(=O)CC(=O)OCC MCULE-8395135934 [0,2,0,0,0,0|0,0,0]=2 155 B21R0.36390 CCOC(=O)CCCCCCCCCCCCC(=O)OCC MCULE-4608055342 [0,2,0,0,0,0|0,0,1]=3 156 B21R0.36393 CCCCCCCCCCCCCCCC(=O)CC(=O)OC MCULE-9530911998 [0,2,0,0,0,0|1,0,1]=4 157 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@H](C)CO MCULE-2437750168 [0,2,0,0,0,0|1,0,0]=3 158 B21R0.36405 CC(C)(C)OC(=O)CCCCCCCCCCCCCCBr MCULE-5572134373 [0,2,0,0,0,0|1,0,0]=3 159 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCCC MCULE-5253414141 [0,2,0,0,0,0|0,0,0]=2 160 B21R0.36773 CCCCCCCCCCCCCCCC(=O)CC[NH+](C)C MCULE-5846531773 [0,2,0,0,0,0|1,0,0]=3 161 B21R0.36773 CCCCCCCCCCCCCCCC(=O)CC[NH+](C)C MCULE-6949832823 [0,2,0,0,0,0|1,0,0]=3 162 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)O MCULE-1871722116 [0,2,0,0,0,0|1,0,1]=4 163 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)[O-] MCULE-2818303268 [0,2,0,0,0,0|1,0,1]=4 164 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NC[C@@H](C)O MCULE-8217281786 [0,2,0,0,0,0|1,0,0]=3 165 B21R0.36773 CCCCCCCCCCCCCCCC(=O)OCC(C)C MCULE-6758263343 [0,2,0,0,0,0|0,0,0]=2 166 B21R0.9300 CCCCCCCCCCCCCCCC(OCC)OCC MCULE-5399561852 [0,2,0,0,0,0|0,0,2]=4 167 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [1,0,0,1,0,0|0,0,0]=2 168 B19R1.53162 CCCCCCCCCCCCC1CC(=O)OC1=O MCULE-5859342402 [1,0,0,1,0,0|1,0,1]=4 169 B19R1.7 CCCCCCCCCCCCC1CCC(CC1)O MCULE-9074074506 [1,0,0,1,0,0|0,0,2]=4 170 B19R1.274 [C@@H]1(CCC(=O)O1)CCCCCCCCCCCCC MCULE-7211376504 [1,0,0,1,0,0|1,0,0]=3 171 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O MCULE-9877242647 [1,0,0,1,0,0|0,0,0]=2 172 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 MCULE-3381978862 [1,0,0,1,0,0|1,0,1]=4 173 B21R1.106916 CCCCCCCCCCCCCCC1CC(=O)OC1=O MCULE-6145842667 [0,1,0,1,0,0|0,0,1]=3 174 B21R1.20616 CCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O MCULE-7946061482 [0,1,0,1,0,0|1,0,1]=4