0 B11R0.180 CCCC(=O)OCC[N+](C)(C)C MCULE-1565037874 [0,0,0,0,0,0|0,1,0]=1 1 B11R0.180 CCCC(=O)OCC[N+](C)(C)C MCULE-3026858183 [0,0,0,0,0,0|0,1,0]=1 2 B11R0.180 CCCC(=O)OCC[N+](C)(C)C MCULE-6187104512 [0,0,0,0,0,0|0,1,0]=1 3 B11R0.180 CCCC(=O)OCC[N+](C)(C)C MCULE-6382209134 [0,0,0,0,0,0|0,1,0]=1 4 B11R0.180 CCCC(=O)SCC[N+](C)(C)C MCULE-1579485338 [0,0,0,0,0,0|0,0,0]=0 5 B11R0.180 CCCC(=O)SCC[N+](C)(C)C MCULE-2436087085 [0,0,0,0,0,0|0,0,0]=0 6 B11R0.180 CCCC(=O)SCC[N+](C)(C)C MCULE-7424906268 [0,0,0,0,0,0|0,0,0]=0 7 B11R0.180 CCNC(=O)CCNC(C)(C)C MCULE-7498149512 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.180 CCOC(=O)CCCC(C)(C)C MCULE-1861999091 [0,0,0,0,0,0|3,0,0]=3 9 B11R0.180 CCOC(=O)CCNC(C)(C)C MCULE-3589466050 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.180 C[N+](C)(C)CCNC(=O)/C=N/O MCULE-1849893825 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.180 C[N+](C)(C)CCNC(=O)/C=N/O MCULE-8801026060 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.3 CC(C)CCOC(=O)CCCl MCULE-2125847369 [1,0,0,0,0,0|2,1,0]=4 13 B10R0.3 CCCC(=O)OCCC(C)C MCULE-8558213018 [1,0,0,0,0,0|1,1,0]=3 14 B10R0.3 CCOC(=O)CCCC(C)C MCULE-5911402423 [1,0,0,0,0,0|3,0,0]=4 15 B10R0.3 CCOC(=O)CCCN(C)C MCULE-7611481357 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.3 CN(C)CCNC(=O)CCN MCULE-4083188278 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.3 CN(C)CCNC(=O)CCN MCULE-7552273657 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.3 CNCC(=O)NCCN(C)C MCULE-3322419042 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.3 CNCC(=O)NCCN(C)C MCULE-4496329167 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.22 C[N+](C)(C)CCCCCCBr MCULE-3345086466 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.22 C[N+](C)(C)CCCCCCBr MCULE-6715758621 [1,0,0,0,0,0|2,0,1]=4 22 B10R0.60 C=CC(=O)OCC[N+](C)(C)C MCULE-6271573439 [1,0,0,0,0,0|0,1,2]=4 23 B10R0.60 C=CC(=O)OCC[N+](C)(C)C MCULE-9847015860 [1,0,0,0,0,0|0,1,2]=4 24 B10R0.60 CC(C)(C)CCNC(=O)CCl MCULE-7708571812 [1,0,0,0,0,0|3,0,0]=4 25 B10R0.60 CCC(=O)OCC[N+](C)(C)C MCULE-6521370136 [1,0,0,0,0,0|0,1,0]=2 26 B10R0.60 CCC(=O)OCC[N+](C)(C)C MCULE-7044709441 [1,0,0,0,0,0|0,1,0]=2 27 B10R0.60 CCC(=O)SCC[N+](C)(C)C MCULE-2683955467 [1,0,0,0,0,0|0,0,0]=1 28 B10R0.60 CCC(=O)SCC[N+](C)(C)C MCULE-6669741142 [1,0,0,0,0,0|0,0,0]=1 29 B10R0.60 COC(=O)CCC[N+](C)(C)C MCULE-1742884419 [1,0,0,0,0,0|2,0,0]=3 30 B10R0.60 COC(=O)CCC[N+](C)(C)C MCULE-7352462914 [1,0,0,0,0,0|2,0,0]=3 31 B10R0.60 COC(=O)CCN[N+](C)(C)C MCULE-1995785484 [1,0,0,0,0,0|3,0,0]=4 32 B10R0.60 COC(=O)CCN[N+](C)(C)C MCULE-2669664445 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.60 COC(=O)CCN[N+](C)(C)C MCULE-6776208805 [1,0,0,0,0,0|3,0,0]=4 34 B10R0.60 C[N+](C)(C)CCOC(=O)CBr MCULE-5291465183 [1,0,0,0,0,0|1,1,0]=3 35 B10R0.60 C[N+](C)(C)CCOC(=O)CBr MCULE-6766438834 [1,0,0,0,0,0|1,1,0]=3 36 B12R0.78 CCOC(=O)CC(C)CC(C)(C)C MCULE-9123139185 [0,1,0,0,0,0|3,0,0]=4 37 B12R0.178 CCOC(=O)C(=O)CCC(C)(C)C MCULE-4770141887 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.1019 CC(C)(C)C1CCCC(=O)CC1 MCULE-1464304007 [0,0,0,1,0,0|2,0,0]=3 39 B12R1.1019 CC(C)(C)C1CCNC(=O)CC1 MCULE-2082939736 [0,0,0,1,0,0|3,0,0]=4 40 B12R1.1561 CCOC(=O)C1CC1C(C)(C)C MCULE-6699270324 [0,0,0,1,0,0|3,0,0]=4 41 B10R0.109 CCOC(=O)CCC(C)(C)C MCULE-1533611542 [0,0,0,0,1,0|2,0,0]=3 42 B10R0.109 CCOC(=O)CCC(C)(C)N MCULE-3087911509 [0,0,0,0,1,0|3,0,0]=4 43 B10R0.109 CCOC(=O)CCC(C)(C)N MCULE-6167344816 [0,0,0,0,1,0|3,0,0]=4 44 B10R0.109 CCOC(=O)CCC(C)(C)O MCULE-1751003927 [0,0,0,0,1,0|3,0,0]=4 45 B10R0.109 CCOC(=O)CNC(C)(C)C MCULE-2126584312 [0,0,0,0,1,0|3,0,0]=4 46 B10R0.109 CCOC(=O)CSC(C)(C)C MCULE-1591896652 [0,0,0,0,1,0|3,0,0]=4 47 B12R0.72 CCOC(=O)CCCCC(C)(C)C MCULE-3689975273 [0,0,0,0,0,1|3,0,0]=4 48 B9R0.1 CCC(=O)OCCC(C)C MCULE-3753568890 [2,0,0,0,0,0|1,1,0]=4 49 B9R0.5 CCCC(=O)NCCSC MCULE-3226358337 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.5 CCCCCC(=O)CCC MCULE-5706146235 [2,0,0,0,0,0|2,0,0]=4 51 B9R0.5 CCCCNC(=O)CCC MCULE-7141834161 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.5 CCCCOC(=O)CCC MCULE-3979612740 [2,0,0,0,0,0|1,1,0]=4 53 B9R0.38 CCCCCCC(C)(C)C MCULE-9273320974 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.38 CCCCCC[N+](C)(C)C MCULE-1452936831 [2,0,0,0,0,0|0,0,1]=3 55 B9R0.38 CCCCCC[N+](C)(C)C MCULE-9999169380 [2,0,0,0,0,0|0,0,1]=3 56 B9R0.38 CCCCCC[N+](C)(C)[O-] MCULE-5890458220 [2,0,0,0,0,0|1,0,1]=4 57 B9R0.38 C[N+](C)(C)CCCCCBr MCULE-8199326199 [2,0,0,0,0,0|1,0,1]=4 58 B9R0.38 C[N+](C)(C)CCCCCBr MCULE-9180512799 [2,0,0,0,0,0|1,0,1]=4 59 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8496483723 [2,0,0,0,0,0|1,0,0]=3 60 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8521440659 [2,0,0,0,0,0|1,0,0]=3 61 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4295517590 [2,0,0,0,0,0|0,1,0]=3 62 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4407610890 [2,0,0,0,0,0|0,1,0]=3 63 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-6461445841 [2,0,0,0,0,0|0,1,0]=3 64 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-7765616505 [2,0,0,0,0,0|0,1,0]=3 65 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-9336983715 [2,0,0,0,0,0|0,1,0]=3 66 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-2411681405 [2,0,0,0,0,0|0,0,0]=2 67 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-4617747505 [2,0,0,0,0,0|0,0,0]=2 68 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-6838656617 [2,0,0,0,0,0|0,0,0]=2 69 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-7762832237 [2,0,0,0,0,0|0,0,0]=2 70 B9R0.56 CC(=O)SCC[Si](C)(C)C MCULE-5870722900 [2,0,0,0,0,0|1,0,0]=3 71 B9R0.56 C[N+](C)(C)CCCC(=O)O MCULE-2639547018 [2,0,0,0,0,0|2,0,0]=4 72 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] MCULE-4081752151 [2,0,0,0,0,0|2,0,0]=4 73 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-5642570831 [2,0,0,0,0,0|1,1,0]=4 74 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-9644162883 [2,0,0,0,0,0|1,1,0]=4 75 B9R0.56 C[N+](C)(C)CCSC(=[NH2+])N MCULE-1815112393 [2,0,0,0,0,0|2,0,0]=4 76 B9R0.56 C[N+](C)(C)CCSC(=[NH2+])N MCULE-7114533051 [2,0,0,0,0,0|2,0,0]=4 77 B11R0.6 CC(C)CCOC(=O)CC(C)C MCULE-9963100536 [1,1,0,0,0,0|1,1,0]=4 78 B11R0.145 CCC(Br)C(=O)NCCC(C)C MCULE-2238686221 [1,1,0,0,0,0|2,0,0]=4 79 B11R0.145 CCC(C)C(=O)OCCC(C)C MCULE-8979882825 [1,1,0,0,0,0|1,1,0]=4 80 B11R0.147 CCCCC(=O)OCCC(C)C MCULE-6555868856 [1,1,0,0,0,0|1,1,0]=4 81 B11R0.151 CCCCCCC(C)[N+](C)(C)C MCULE-1202586057 [1,1,0,0,0,0|1,0,1]=4 82 B11R0.151 CCCCCCC(C)[N+](C)(C)C MCULE-2462169715 [1,1,0,0,0,0|1,0,1]=4 83 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-8224932542 [1,1,0,0,0,0|1,0,1]=4 84 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-8271976836 [1,1,0,0,0,0|1,0,1]=4 85 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-9239605360 [1,1,0,0,0,0|1,0,1]=4 86 B11R0.159 C[N+](C)(C)CCCCCCCBr MCULE-7277093189 [1,1,0,0,0,0|1,0,1]=4 87 B11R0.159 C[N+](C)(C)CCCCCCCBr MCULE-9862560854 [1,1,0,0,0,0|1,0,1]=4 88 B11R0.318 C=C(C)C(=O)OCC[N+](C)(C)C MCULE-4004386657 [1,1,0,0,0,0|0,1,1]=4 89 B11R0.318 C=C(C)C(=O)OCC[N+](C)(C)C MCULE-6057517651 [1,1,0,0,0,0|0,1,1]=4 90 B11R0.318 C=C(C)C(=O)OCC[N+](C)(C)C MCULE-6703532855 [1,1,0,0,0,0|0,1,1]=4 91 B11R0.54 CCOC(=O)CC(O)C(C)(C)C MCULE-3161594441 [0,1,0,0,1,0|2,0,0]=4 92 B11R0.54 CCOC(=O)C[C@@H](O)C(C)(C)C MCULE-3053403276 [0,1,0,0,1,0|2,0,0]=4 93 B11R0.54 CCOC(=O)C[C@H](O)C(C)(C)C MCULE-3956298068 [0,1,0,0,1,0|2,0,0]=4 94 B11R0.54 [C@H](O)(CC(=O)OCC)C(C)(C)C MCULE-9243420120 [0,1,0,0,1,0|2,0,0]=4 95 B11R0.250 CCCS(=O)(=O)CCC(C)(C)C MCULE-1925016092 [0,1,0,0,1,0|2,0,0]=4 96 B11R0.337 CC(C)CC(=O)CNC(C)(C)C MCULE-2302204920 [0,1,0,0,1,0|2,0,0]=4 97 B11R0.337 CC(C)CC(=O)CNC(C)(C)C MCULE-3377096654 [0,1,0,0,1,0|2,0,0]=4 98 B11R0.337 CC(C)CC(=O)CNC(C)(C)C MCULE-3478937492 [0,1,0,0,1,0|2,0,0]=4 99 B13R0.1987 CC(C)(C)OC(=O)NCC[N+](C)(C)C MCULE-1607631158 [0,2,0,0,0,0|2,0,0]=4 100 B13R0.1987 CC(C)(C)OC(=O)NCC[N+](C)(C)C MCULE-7571818266 [0,2,0,0,0,0|2,0,0]=4 101 B13R0.1987 CC(C)(C)OC(=O)NCC[N+](C)(C)C MCULE-9181598545 [0,2,0,0,0,0|2,0,0]=4 102 B13R0.351 C[N+](C)(C)CCOC(=O)CCC(=O)O MCULE-2808445340 [0,2,0,0,0,0|0,1,1]=4 103 B13R0.351 C[N+](C)(C)CCOC(=O)CCC(=O)O MCULE-5919336413 [0,2,0,0,0,0|0,1,1]=4 104 B13R0.351 C[N+](C)(C)CCOC(=O)CCC(=O)[O-] MCULE-4116304866 [0,2,0,0,0,0|0,1,1]=4 105 B11R1.90 CC(C)CCC1CCCC1=O MCULE-2083601882 [1,0,0,1,0,0|2,0,0]=4 106 B11R1.90 CN(C)CCN1CCCC1=O MCULE-9901171170 [1,0,0,1,0,0|1,0,1]=4 107 B11R1.90 C[NH+](C)CCN1CCCC1=O MCULE-1540535266 [1,0,0,1,0,0|1,0,0]=3 108 B11R1.157 CC(C)CC1CCCC(=O)C1 MCULE-5163692856 [1,0,0,1,0,0|2,0,0]=4 109 B11R1.166 CC(C)C1CCC(=O)CC1C MCULE-1915798198 [1,0,0,1,0,0|2,0,0]=4 110 B11R1.565 CC(C)C1CCCC(=O)CC1 MCULE-1197832012 [1,0,0,1,0,0|2,0,0]=4 111 B11R1.1121 C[N+](C)(C)C1CCCCCC1 MCULE-1066540162 [1,0,0,1,0,0|1,0,1]=4 112 B11R1.1121 C[N+](C)(C)C1CCCCCC1 MCULE-7358478996 [1,0,0,1,0,0|1,0,1]=4 113 B11R1.19 CC(C)(C)C1CCC(=O)CC1 MCULE-7473209514 [1,0,0,1,0,0|2,0,0]=4 114 B11R1.19 C[Si](C)(C)C1CCC(=O)CC1 MCULE-5643539080 [1,0,0,1,0,0|2,0,0]=4 115 B11R1.155 CC(C)(C)C1CC(=O)CCN1 MCULE-5192089684 [0,0,0,1,1,0|2,0,0]=4 116 B11R1.155 CC(C)(C)C1CC(=O)CCN1 MCULE-7000594000 [0,0,0,1,1,0|2,0,0]=4 117 B11R1.155 CC(C)(C)C1CC(=O)CCO1 MCULE-5826329986 [0,0,0,1,1,0|2,0,0]=4 118 B11R1.155 CC(C)(C)C1CCCC(=O)C1 MCULE-8313965756 [0,0,0,1,1,0|1,0,0]=3 119 B11R1.155 CC(C)(C)N1CCCC(=O)C1 MCULE-1047835029 [0,0,0,1,1,0|2,0,0]=4 120 B11R1.155 CC(C)(C)N1CCCC(=O)C1 MCULE-2437591995 [0,0,0,1,1,0|2,0,0]=4 121 B11R1.155 CC(C)(C)[C@@H]1CCCC(=O)C1 MCULE-7211183919 [0,0,0,1,1,0|1,0,0]=3 122 B11R1.155 CC(C)(C)[C@H]1CCCC(=O)C1 MCULE-1680632415 [0,0,0,1,1,0|1,0,0]=3 123 B13R1.1517 CCCC(=O)C1CCOC(C1)(C)C MCULE-4513371078 [0,0,0,1,0,1|2,0,0]=4 124 B13R1.157 CC(C)(C)CCN1CCNCC1=O MCULE-4812676739 [0,1,0,1,0,0|2,0,0]=4 125 B13R1.894 C[N+](C)(C)CC1OC(=O)CCC1=O MCULE-1414312371 [0,1,0,1,0,0|0,1,1]=4 126 B13R1.894 C[N+](C)(C)CC1OC(=O)CCC1=O MCULE-1709281251 [0,1,0,1,0,0|0,1,1]=4 127 B13R2.12956 C[N+]1(CC2CC(=O)CC(C2)C1)C MCULE-4207384802 [0,0,0,2,0,0|1,0,0]=3 128 B13R2.12956 C[N+]1(CC2CC(=O)CC(C2)C1)C MCULE-5477014207 [0,0,0,2,0,0|1,0,0]=3 129 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [1,0,0,0,1,0|2,0,0]=4 130 B9R0.48 CCCC(=O)OCC(C)C MCULE-5762939087 [1,0,0,0,1,0|1,1,0]=4 131 B9R0.48 CCOC(=O)CCC(C)C MCULE-1386486394 [1,0,0,0,1,0|2,0,0]=4 132 B9R0.48 CCOC(=O)CCN(C)C MCULE-6461752502 [1,0,0,0,1,0|1,0,1]=4 133 B9R0.21 CCC(=O)CNC(C)(C)C MCULE-3702592474 [1,0,0,0,1,0|2,0,0]=4 134 B9R0.21 CCC(=O)CNC(C)(C)C MCULE-8902561178 [1,0,0,0,1,0|2,0,0]=4 135 B9R0.44 CCCC(=O)OC(C)(C)C MCULE-8182416948 [0,0,0,0,2,0|1,1,0]=4 136 B9R0.44 CCOC(=O)CC(C)(C)C MCULE-8926986105 [0,0,0,0,2,0|2,0,0]=4 137 B9R0.44 CCOC(=O)C[Si](C)(C)C MCULE-9125093065 [0,0,0,0,2,0|2,0,0]=4 138 B9R0.44 COCC(=O)CC(C)(C)C MCULE-6887395316 [0,0,0,0,2,0|2,0,0]=4