0 B10R0.91 C#CCCC(O)CCCCC MCULE-4675172890 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.91 C#CCCCC(=O)C=CC=O MCULE-9847225670 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.91 C#CCCCC(O)C=CC=O MCULE-4498847426 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.91 C=CCCC(C)CCCCC MCULE-1706757342 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.91 CCCCCC(=O)C=CC=O MCULE-7288937112 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.91 CCCCCC(C)CCC=O MCULE-9659356194 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.91 CCCCCC(O)/C=C/C=O MCULE-7787544395 [0,0,0,0,0,0|0,0,0]=0 7 B10R0.91 CCCCCC(O)C=CC=O MCULE-4013578316 [0,0,0,0,0,0|0,0,0]=0 8 B10R0.91 CCCCCC(O)CCCC MCULE-4028571026 [0,0,0,0,0,0|1,0,3]=4 9 B10R0.91 CCCCC[C@H](O)CCCC MCULE-3767339379 [0,0,0,0,0,0|1,0,3]=4 10 B10R0.91 CCCCC[C@H](O)CCCC MCULE-8364286143 [0,0,0,0,0,0|1,0,3]=4 11 B9R0.5 C=CCC(C)CCCCC MCULE-2730037142 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.5 C=CCC(O)CCCCC MCULE-6811117459 [1,0,0,0,0,0|0,0,1]=2 13 B9R0.5 C=COC(=O)CCCCC MCULE-9610448604 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.5 CCCCCC(C)CC=O MCULE-4528527314 [1,0,0,0,0,0|1,0,1]=3 15 B9R0.5 CCCCCC(O)CCC MCULE-8117002289 [1,0,0,0,0,0|0,0,3]=4 16 B9R0.5 CCCCCC(O)CCO MCULE-7307683143 [1,0,0,0,0,0|0,0,3]=4 17 B9R0.45 C(=C\CCCCCO)\CC MCULE-7910166129 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.45 CC/C=C/CC/C=C/C=O MCULE-2319284095 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.45 CC/C=C\CC/C=C/C=O MCULE-3029314831 [1,0,0,0,0,0|0,0,2]=3 21 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.45 CCC=CCCC=CC=O MCULE-1244351376 [1,0,0,0,0,0|0,0,2]=3 23 B9R0.45 CCC=CCCCCCO MCULE-1504274864 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.45 CCCC/C=C/C=C/C=O MCULE-8109760299 [1,0,0,0,0,0|0,0,2]=3 25 B9R0.45 CCCCC=CC=CC=O MCULE-6291163980 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [1,0,0,0,0,0|0,0,0]=1 27 B9R0.45 CCCCCC/C=C/CO MCULE-1969100525 [1,0,0,0,0,0|0,0,2]=3 28 B9R0.45 CCCCCC/C=C\CO MCULE-4688229291 [1,0,0,0,0,0|0,0,2]=3 29 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [1,0,0,0,0,0|0,0,0]=1 30 B9R0.45 CCCCCCC=CCO MCULE-8666977236 [1,0,0,0,0,0|0,0,2]=3 31 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [1,0,0,0,0,0|0,0,2]=3 32 B9R0.45 CCCCCCCN=C=O MCULE-8681396809 [1,0,0,0,0,0|1,0,2]=4 33 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [1,0,0,0,0,0|1,0,1]=3 34 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [1,0,0,0,0,0|1,0,1]=3 35 B11R0.46 CCCCCC(C)CCC(=O)O MCULE-3703948906 [0,1,0,0,0,0|1,0,2]=4 36 B11R0.46 CCCCCC(O)/C=C/C(=O)O MCULE-9091234698 [0,1,0,0,0,0|0,0,0]=1 37 B11R0.46 CCCCCC(O)C=CC(=O)O MCULE-5393476184 [0,1,0,0,0,0|0,0,0]=1 38 B11R0.46 CCCCCC(O)CCC(=O)N MCULE-6288630989 [0,1,0,0,0,0|0,0,2]=3 39 B11R0.46 CCCCNC(=O)C=CC(=O)O MCULE-6680900047 [0,1,0,0,0,0|1,0,2]=4 40 B11R0.81 CCCCCCC(=O)C=CC=O MCULE-3978841928 [0,1,0,0,0,0|0,0,2]=3 41 B11R0.147 CC(C)CCCC(C)CCC=O MCULE-6897293607 [0,1,0,0,0,0|1,0,2]=4 42 B11R0.152 CCCCCC(C=CC=O)OO MCULE-2269890087 [0,1,0,0,0,0|0,0,0]=1 43 B11R0.154 CCCCCC(O)CC(=O)OC MCULE-9477041708 [0,1,0,0,0,0|2,0,1]=4 44 B11R0.154 CCCCC[C@H](O)CC(=O)OC MCULE-4127190955 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.155 CC/C=C(\C)/C(O)CCCCC MCULE-6108670039 [0,1,0,0,0,0|1,0,1]=3 46 B11R0.155 CCC=C(C)C(O)CCCCC MCULE-7101178578 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.17 CCCCC1=C(C=CC=C1)O MCULE-2002461761 [0,0,0,1,0,0|1,0,2]=4 48 B11R1.27 CCCCCC1=CC=C(S1)Br MCULE-7557705843 [0,0,0,1,0,0|1,1,1]=4 49 B11R1.27 CCCCCC1C=CC(=O)O1 MCULE-7215901584 [0,0,0,1,0,0|0,0,0]=1 50 B11R1.27 CCCCCC1CCC(=O)O1 MCULE-8658118167 [0,0,0,1,0,0|0,0,2]=3 51 B11R1.27 CCCCCN1C=CC(=N1)N MCULE-9744281076 [0,0,0,1,0,0|3,0,0]=4 52 B11R1.27 CCCCC[C@H]1CCC(=O)O1 MCULE-5773106371 [0,0,0,1,0,0|0,0,2]=3 53 B11R1.27 CCCNCC1=CC=C(O1)C MCULE-6707495886 [0,0,0,1,0,0|2,0,1]=4 54 B11R1.27 CCCNCC1=CC=C(O1)C MCULE-8320633828 [0,0,0,1,0,0|2,0,1]=4 55 B11R1.27 O=C1CCC(O1)CCCCCl MCULE-9831879802 [0,0,0,1,0,0|1,0,2]=4 56 B11R1.28 CCCCCC1=CC=CC=C1 MCULE-8118768843 [0,0,0,1,0,0|2,0,1]=4 57 B11R1.28 CCCCCC1=CC=CC=N1 MCULE-5660438217 [0,0,0,1,0,0|2,0,1]=4 58 B11R1.28 CCCCCC1=CC=CN=C1 MCULE-2009971983 [0,0,0,1,0,0|2,0,1]=4 59 B11R1.182 CCCN1N=C(C=CC1=O)O MCULE-3113796444 [0,0,0,1,0,0|2,0,1]=4 60 B11R1.203 O=CCCC1CCCCCC1 MCULE-5898493972 [0,0,0,1,0,0|1,0,2]=4 61 B11R1.465 CCCCN1C(=O)C=CC1=O MCULE-3078317428 [0,0,0,1,0,0|1,0,2]=4 62 B8R0.1 C=CCC(O)CCCC MCULE-4055894447 [2,0,0,0,0,0|0,0,1]=3 63 B8R0.4 C=CCCCCCCBr MCULE-6451772855 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.4 C=CCCCCCCC MCULE-8103203416 [2,0,0,0,0,0|0,0,1]=3 65 B8R0.4 C=CCCCCCCCl MCULE-2359680024 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.4 C=CCCCCCCI MCULE-2548377676 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.4 C=CCCCCCCN MCULE-3465800348 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.4 C=CCCCCCCN MCULE-9820466293 [2,0,0,0,0,0|1,0,1]=4 69 B8R0.4 C=CCCCCCCO MCULE-8561904793 [2,0,0,0,0,0|1,0,1]=4 70 B8R0.4 C=CCCCCCNC MCULE-9487840122 [2,0,0,0,0,0|1,0,1]=4 71 B8R0.4 CC=CCCCCCC MCULE-2766900913 [2,0,0,0,0,0|0,0,1]=3 72 B8R0.4 CC=CCSCCCC MCULE-7318808486 [2,0,0,0,0,0|1,0,1]=4 73 B8R0.4 CCC/C=C/C=C/C=O MCULE-8835013975 [2,0,0,0,0,0|0,0,2]=4 74 B8R0.4 CCCC=CC=CC=O MCULE-2921829928 [2,0,0,0,0,0|0,0,2]=4 75 B8R0.4 CCCCC/C=C/C=O MCULE-9410244042 [2,0,0,0,0,0|0,0,0]=2 76 B8R0.4 CCCCC/C=C/CO MCULE-2538979274 [2,0,0,0,0,0|0,0,2]=4 77 B8R0.4 CCCCCC#CC=O MCULE-6367130572 [2,0,0,0,0,0|0,0,2]=4 78 B8R0.4 CCCCCC=CC=O MCULE-7640230490 [2,0,0,0,0,0|0,0,0]=2 79 B8R0.4 CCCCCC=CCO MCULE-7026544339 [2,0,0,0,0,0|0,0,2]=4 80 B8R0.4 CCCCCCC=CI MCULE-3614174427 [2,0,0,0,0,0|1,0,0]=3 81 B8R0.4 CCCCCCCC=O MCULE-7111365457 [2,0,0,0,0,0|0,0,1]=3 82 B8R0.4 CCCCCCN=C=O MCULE-6808788959 [2,0,0,0,0,0|1,0,1]=4 83 B8R0.4 CCCCCCNC=O MCULE-3719637754 [2,0,0,0,0,0|1,0,0]=3 84 B8R0.4 CCCCCCOC=O MCULE-1329787181 [2,0,0,0,0,0|1,0,0]=3 85 B8R0.4 CCCCCCON=O MCULE-9048754026 [2,0,0,0,0,0|2,0,0]=4 86 B8R0.4 O=CCCCCCCBr MCULE-3046622133 [2,0,0,0,0,0|1,0,1]=4 87 B8R0.6 C#CC(O)CCCCC MCULE-3860216745 [2,0,0,0,0,0|0,0,2]=4 88 B8R0.6 C#CC(O)CCCCC MCULE-6741270715 [2,0,0,0,0,0|0,0,2]=4 89 B8R0.6 C#C[C@@H](O)CCCCC MCULE-2098834943 [2,0,0,0,0,0|0,0,2]=4 90 B8R0.6 C#C[C@@H](O)CCCCC MCULE-4627033805 [2,0,0,0,0,0|0,0,2]=4 91 B8R0.6 C#C[C@H](O)CCCCC MCULE-6006340759 [2,0,0,0,0,0|0,0,2]=4 92 B8R0.6 C#C[C@H](O)CCCCC MCULE-8399407443 [2,0,0,0,0,0|0,0,2]=4 93 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [2,0,0,0,0,0|0,0,2]=4 94 B8R0.6 C=CC(O)CCCCC MCULE-3974016765 [2,0,0,0,0,0|0,0,0]=2 95 B8R0.6 CCCCCC(O)CC MCULE-6682377557 [2,0,0,0,0,0|0,0,2]=4 96 B8R0.6 CCCCCC(O)CCl MCULE-5610334497 [2,0,0,0,0,0|1,0,1]=4 97 B8R0.6 CCCCCC(O)CN MCULE-6091710122 [2,0,0,0,0,0|1,0,1]=4 98 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [2,0,0,0,0,0|0,0,2]=4 99 B8R0.6 [C@H](O)(CC)CCCCC MCULE-7121730436 [2,0,0,0,0,0|0,0,2]=4 100 B10R0.1 C=CCC(C)CCCCCC MCULE-9669056285 [1,1,0,0,0,0|1,0,1]=4 101 B10R0.3 CC(C)CCCC(C)CC=O MCULE-2720089798 [1,1,0,0,0,0|1,0,1]=4 102 B10R0.6 C=C(C)CC(C)CCCCC MCULE-9311251673 [1,1,0,0,0,0|1,0,1]=4 103 B10R0.6 CCCCCC(C)CC(=O)C MCULE-9366517192 [1,1,0,0,0,0|1,0,1]=4 104 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.6 CCCCCC(C)OC(=O)Cl MCULE-6347220296 [1,1,0,0,0,0|2,0,0]=4 106 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [1,1,0,0,0,0|1,0,1]=4 107 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [1,1,0,0,0,0|1,0,1]=4 108 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [1,1,0,0,0,0|0,0,1]=3 109 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [1,1,0,0,0,0|0,0,1]=3 110 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [1,1,0,0,0,0|0,0,1]=3 111 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [1,1,0,0,0,0|0,0,1]=3 112 B10R0.24 C=CCC(CC)CCCCC MCULE-3685970860 [1,1,0,0,0,0|1,0,1]=4 113 B10R0.83 CCCCCC(O)C(=O)OC MCULE-9996510127 [1,1,0,0,0,0|1,0,1]=4 114 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [1,1,0,0,0,0|0,0,2]=4 115 B10R0.78 CCCCC(O)CCC(=O)[O-] MCULE-9148086354 [1,1,0,0,0,0|0,0,2]=4 116 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [1,1,0,0,0,0|0,0,0]=2 117 B10R0.4 CC(C)CCCCCCC=O MCULE-8509627472 [1,1,0,0,0,0|0,0,2]=4 118 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,1,0,0,0,0|0,0,2]=4 119 B10R0.4 CCCCCC/C=C/B(O)O MCULE-2505509869 [1,1,0,0,0,0|1,0,1]=4 120 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [1,1,0,0,0,0|0,0,0]=2 121 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,1,0,0,0,0|0,0,2]=4 122 B10R0.4 CCCCCCC=CB(O)O MCULE-9573755662 [1,1,0,0,0,0|1,0,1]=4 123 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [1,1,0,0,0,0|0,0,0]=2 124 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [1,1,0,0,0,0|0,0,2]=4 125 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [1,1,0,0,0,0|0,0,2]=4 126 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [1,1,0,0,0,0|0,0,2]=4 127 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,1,0,0,0,0|0,0,2]=4 128 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [1,1,0,0,0,0|0,0,2]=4 129 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [1,1,0,0,0,0|1,0,1]=4 130 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [1,1,0,0,0,0|1,0,1]=4 131 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [1,1,0,0,0,0|1,0,1]=4 132 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,1,0,0,0,0|1,0,1]=4 133 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,1,0,0,0,0|1,0,1]=4 134 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,1,0,0,0,0|1,0,1]=4 135 B10R0.71 C=CC=CC=CCCCCC MCULE-9947050551 [1,1,0,0,0,0|1,0,1]=4 136 B10R0.71 CCCCC/C=C/C=C/C=O MCULE-8478423084 [1,1,0,0,0,0|0,0,1]=3 137 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [1,1,0,0,0,0|0,0,2]=4 138 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [1,1,0,0,0,0|0,0,2]=4 139 B10R0.71 CCCCCC=CC=CC=O MCULE-9055179345 [1,1,0,0,0,0|0,0,1]=3 140 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [1,1,0,0,0,0|0,0,2]=4 141 B10R0.71 CCCCCCC=CCCO MCULE-7637000822 [1,1,0,0,0,0|0,0,2]=4 142 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [1,1,0,0,0,0|0,0,0]=2 143 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [1,1,0,0,0,0|0,0,2]=4 144 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,1,0,0,0,0|0,0,2]=4 145 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,1,0,0,0,0|0,0,2]=4 146 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,1,0,0,0,0|0,0,2]=4 147 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,1,0,0,0,0|0,0,2]=4 148 B10R0.74 C=CC(=O)OCCCCCC MCULE-5221212930 [1,1,0,0,0,0|2,0,0]=4 149 B10R0.74 CCCCCCCC(C)C=O MCULE-6740449093 [1,1,0,0,0,0|0,0,2]=4 150 B12R0.142 CCCCCC(O)CCC(=O)NC MCULE-6293429988 [0,2,0,0,0,0|0,0,2]=4 151 B12R0.142 CCCCCC(O)CCC(=O)NN MCULE-5752578751 [0,2,0,0,0,0|0,0,2]=4 152 B12R0.255 CCCCCCC(O)CCC(=O)O MCULE-5591309975 [0,2,0,0,0,0|0,0,2]=4 153 B12R0.255 CCCCCCC(O)CCC(=O)[O-] MCULE-4395510611 [0,2,0,0,0,0|0,0,2]=4 154 B12R0.233 CCCCCC(O)CCCC(=O)O MCULE-2335278488 [0,2,0,0,0,0|0,0,2]=4 155 B12R0.233 CCCCCC(O)CCCC(=O)[O-] MCULE-7035156488 [0,2,0,0,0,0|0,0,2]=4 156 B10R1.19 O=CC1CCCCCC1Cl MCULE-2719076051 [1,0,0,1,0,0|1,0,1]=4 157 B10R1.21 CCCCCC1=CC=CO1 MCULE-7495475438 [1,0,0,1,0,0|0,0,1]=3 158 B10R1.21 CCCCCC1=CC=CS1 MCULE-5834588939 [1,0,0,1,0,0|0,1,1]=4 159 B10R1.21 CCCNCC1=CC=CO1 MCULE-6122894463 [1,0,0,1,0,0|1,0,1]=4 160 B10R1.21 CCCNCC1=CC=CO1 MCULE-8770938830 [1,0,0,1,0,0|1,0,1]=4 161 B10R1.21 CNCCCC1=CC=CO1 MCULE-7583228791 [1,0,0,1,0,0|1,0,1]=4 162 B10R1.24 CCCCCC1CC(=O)C1 MCULE-5494050284 [1,0,0,1,0,0|1,0,1]=4 163 B10R1.25 CCC1CCC(CC1=O)C MCULE-6201444288 [1,0,0,1,0,0|1,0,1]=4 164 B10R1.85 C=CCC1CCCCCC1 MCULE-7344516120 [1,0,0,1,0,0|1,0,1]=4 165 B10R1.85 O=CCC1CCCCCC1 MCULE-6382907203 [1,0,0,1,0,0|1,0,1]=4 166 B10R1.130 CCCN1C[C@H](CC1=O)O MCULE-6013783989 [1,0,0,1,0,0|1,0,1]=4 167 B10R1.245 CC1CCCC(N1C=O)C MCULE-1960868095 [1,0,0,1,0,0|2,0,0]=4 168 B10R1.377 C=CCC1(CCCCC1)N MCULE-1008545775 [1,0,0,1,0,0|1,0,1]=4 169 B10R1.377 C=CCC1(CCCCC1)O MCULE-2678449677 [1,0,0,1,0,0|0,0,1]=3 170 B10R1.377 C=CCC1(CCNCC1)O MCULE-8976091742 [1,0,0,1,0,0|1,0,1]=4 171 B10R1.377 C=CCC1(CCNCC1)O MCULE-9090307677 [1,0,0,1,0,0|1,0,1]=4 172 B10R1.377 C=CCC1(CCOCC1)O MCULE-1138503019 [1,0,0,1,0,0|1,0,1]=4 173 B10R1.377 O=CCC1(CCOCC1)O MCULE-1529294494 [1,0,0,1,0,0|1,0,1]=4 174 B10R1.16 CCCCC1CCC(=O)O1 MCULE-2172174471 [1,0,0,1,0,0|0,0,2]=4 175 B10R1.17 O=CC=CC1CCCCC1 MCULE-6888009707 [1,0,0,1,0,0|1,0,0]=3 176 B10R1.17 O=CCOC1CCCCO1 MCULE-5185852140 [1,0,0,1,0,0|1,0,1]=4 177 B10R1.7 CC1CCCCCCC1=O MCULE-5002473983 [1,0,0,1,0,0|0,0,2]=4 178 B10R1.20 CCC1CCCCC1C=O MCULE-1484578990 [1,0,0,1,0,0|0,0,2]=4 179 B10R1.161 COC1=CCCCCCC1 MCULE-3500334234 [1,0,0,1,0,0|2,0,0]=4 180 B10R1.161 COC1=CCCCCCC1 MCULE-4140921077 [1,0,0,1,0,0|2,0,0]=4 181 B10R1.161 O=CC1=CCCCCCC1 MCULE-3035020921 [1,0,0,1,0,0|0,0,0]=2 182 B10R1.161 O=CC1=CCCCCCC1 MCULE-5359478815 [1,0,0,1,0,0|0,0,0]=2 183 B10R1.161 O=CC1CCCCCCC1 MCULE-6277104874 [1,0,0,1,0,0|0,0,2]=4 184 B12R1.29 CCCC[C@@H](N)C1=CC=C(O1)Br MCULE-2468587597 [0,1,0,1,0,0|1,0,1]=4 185 B12R1.29 CCCC[C@@H](N)C1=CC=C(O1)Br MCULE-5775660544 [0,1,0,1,0,0|1,0,1]=4 186 B12R1.29 CCCC[C@@H](N)C1=CC=C(O1)C MCULE-5741084945 [0,1,0,1,0,0|1,0,1]=4 187 B12R1.29 CCCC[C@@H](N)C1=CC=C(O1)C MCULE-6958862499 [0,1,0,1,0,0|1,0,1]=4 188 B12R1.29 CCCC[C@@H](N)C1=CC=C(O1)Cl MCULE-8563669110 [0,1,0,1,0,0|1,0,1]=4 189 B12R1.29 CCCC[C@@H](N)C1=CC=C(O1)Cl MCULE-9648008995 [0,1,0,1,0,0|1,0,1]=4 190 B12R1.29 CCCC[C@H](N)C1=CC=C(O1)Br MCULE-2536785420 [0,1,0,1,0,0|1,0,1]=4 191 B12R1.29 CCCC[C@H](N)C1=CC=C(O1)Br MCULE-7674981371 [0,1,0,1,0,0|1,0,1]=4 192 B12R1.29 CCCC[C@H](N)C1=CC=C(O1)C MCULE-1914067518 [0,1,0,1,0,0|1,0,1]=4 193 B12R1.29 CCCC[C@H](N)C1=CC=C(O1)C MCULE-9368290694 [0,1,0,1,0,0|1,0,1]=4 194 B12R1.29 CCCC[C@H](N)C1=CC=C(O1)Cl MCULE-7226871277 [0,1,0,1,0,0|1,0,1]=4 195 B12R1.29 CCCC[C@H](N)C1=CC=C(O1)Cl MCULE-8872994999 [0,1,0,1,0,0|1,0,1]=4 196 B12R1.1343 CC(=O)C=CN1CCCCCC1 MCULE-1379549021 [0,1,0,1,0,0|2,0,0]=4 197 B12R1.3110 O=C(O)C#CC1(CCCCC1)O MCULE-9539141010 [0,1,0,1,0,0|0,0,2]=4 198 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [0,1,0,1,0,0|0,0,2]=4 199 B12R1.7 CCCCNCC1=CC=C(O1)C MCULE-3958159648 [0,1,0,1,0,0|1,0,1]=4 200 B12R1.7 CCCCNCC1=CC=C(O1)C MCULE-7263798679 [0,1,0,1,0,0|1,0,1]=4 201 B12R1.7 CCCCOCC1CNC(=O)O1 MCULE-6966705652 [0,1,0,1,0,0|1,0,1]=4 202 B12R1.267 CCCCCC1=CC=CC=C1O MCULE-4285273619 [0,1,0,1,0,0|1,0,1]=4 203 B12R1.567 CCCCCN1C(=O)C=CC1=O MCULE-3133283629 [0,1,0,1,0,0|0,0,2]=4 204 B12R1.1410 CCCCCC1OC1C=CC=O MCULE-4436934736 [0,1,0,1,0,0|0,0,0]=2 205 B12R1.1410 CCCCC[C@H]1O[C@@H]1C=CC=O MCULE-6093862797 [0,1,0,1,0,0|0,0,0]=2 206 B12R1.28 CCCCCC1=CC=CC(=O)O1 MCULE-5618749422 [0,1,0,1,0,0|0,0,1]=3 207 B12R1.28 CCCCCC1CC=CC(=O)O1 MCULE-9666662342 [0,1,0,1,0,0|0,0,0]=2 208 B12R1.28 CCCCCC1CCCC(=O)O1 MCULE-2527242599 [0,1,0,1,0,0|0,0,2]=4 209 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 MCULE-1286702458 [0,1,0,1,0,0|0,0,0]=2 210 B12R1.28 CCCCC[C@H]1CC=CC(=O)O1 MCULE-7838361683 [0,1,0,1,0,0|0,0,0]=2 211 B12R1.35 CCCCC[C@@H](N)C1=CC=CN1 MCULE-5084500437 [0,1,0,1,0,0|2,0,0]=4 212 B12R1.35 CCCCC[C@@H](N)C1=CC=CN1 MCULE-9989674876 [0,1,0,1,0,0|2,0,0]=4 213 B12R1.35 CCCCC[C@@H](N)C1=CC=CO1 MCULE-3897190513 [0,1,0,1,0,0|1,0,1]=4 214 B12R1.35 CCCCC[C@@H](N)C1=CC=CO1 MCULE-8397581315 [0,1,0,1,0,0|1,0,1]=4 215 B12R1.35 CCCCC[C@@H](N)C1=CC=CS1 MCULE-6939860108 [0,1,0,1,0,0|1,1,0]=4 216 B12R1.35 CCCCC[C@@H](N)C1=CC=CS1 MCULE-7718306647 [0,1,0,1,0,0|1,1,0]=4 217 B12R1.35 CCCCC[C@@H](N)C1=COC=C1 MCULE-6211059746 [0,1,0,1,0,0|1,0,1]=4 218 B12R1.35 CCCCC[C@@H](N)C1=COC=C1 MCULE-7579761233 [0,1,0,1,0,0|1,0,1]=4 219 B12R1.35 CCCCC[C@@H](N)C1=CSC=C1 MCULE-5007945584 [0,1,0,1,0,0|1,1,0]=4 220 B12R1.35 CCCCC[C@@H](N)C1=CSC=C1 MCULE-9845103967 [0,1,0,1,0,0|1,1,0]=4 221 B12R1.35 CCCCC[C@H](N)C1=CC=CN1 MCULE-2325635744 [0,1,0,1,0,0|2,0,0]=4 222 B12R1.35 CCCCC[C@H](N)C1=CC=CN1 MCULE-8205164858 [0,1,0,1,0,0|2,0,0]=4 223 B12R1.35 CCCCC[C@H](N)C1=CC=CO1 MCULE-5124246463 [0,1,0,1,0,0|1,0,1]=4 224 B12R1.35 CCCCC[C@H](N)C1=CC=CO1 MCULE-9369734470 [0,1,0,1,0,0|1,0,1]=4 225 B12R1.35 CCCCC[C@H](N)C1=CC=CS1 MCULE-5589423144 [0,1,0,1,0,0|1,1,0]=4 226 B12R1.35 CCCCC[C@H](N)C1=CC=CS1 MCULE-9380878341 [0,1,0,1,0,0|1,1,0]=4 227 B12R1.35 CCCCC[C@H](N)C1=COC=C1 MCULE-5001800389 [0,1,0,1,0,0|1,0,1]=4 228 B12R1.35 CCCCC[C@H](N)C1=COC=C1 MCULE-5274082962 [0,1,0,1,0,0|1,0,1]=4 229 B12R1.35 CCCCC[C@H](N)C1=CSC=C1 MCULE-1845019914 [0,1,0,1,0,0|1,1,0]=4 230 B12R1.35 CCCCC[C@H](N)C1=CSC=C1 MCULE-5914753905 [0,1,0,1,0,0|1,1,0]=4 231 B12R1.1123 CCCC1CC(C(=O)NC1=O)C MCULE-8704647112 [0,1,0,1,0,0|2,0,0]=4 232 B12R2.2918 O=C1CCC2(O1)CCCCC2 MCULE-2524698119 [0,0,0,2,0,0|0,0,2]=4 233 B12R2.2918 O=C1COC2(O1)CCCCC2 MCULE-2313287382 [0,0,0,2,0,0|1,0,1]=4 234 B12R2.2918 O=C1NCC2(O1)CCCCC2 MCULE-5479893010 [0,0,0,2,0,0|1,0,1]=4 235 B12R2.1172 O=C1C=C[C@@]2(CCO[C@@H]2C1)O MCULE-2730960810 [0,0,0,2,0,0|1,0,0]=3 236 B12R2.1172 [C@@H]12CC(=O)C=C[C@@]1(CCO2)O MCULE-7141669330 [0,0,0,2,0,0|1,0,0]=3