0 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CBr B123239 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CCl C589048 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC M102228 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.5 CCC1=CC=C(C=C1)C(=O)CC E135751 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN E344439 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.5 CC[N+]1=CC=C(C=C1)C(=O)OC E156132 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.5 CN(C=O)C1=CC=C(C=C1)OC M158114 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN A483234 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC M192837 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC M168091 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C M138639 [0,0,0,0,0,0|1,0,1]=2 11 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N M158125 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.5 COC(=O)C1=CC=C(C=C1)C=C M123351 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O M157838 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.5 COC(=O)C1=CC=C(C=C1)CBr M123161 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl M135465 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.5 COC(=O)C1=CC=C(C=C1)CN M158180 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.5 COC(=O)C1=CC=C(C=C1)CO M158185 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O M178757 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.5 COC(=O)C1=CN=C(C=C1)CO H138998 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O M491770 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.5 COC(=O)C1=NC=C(C=C1)CBr M193936 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.5 COC1=CC=C(C=C1)C(=NO)N N589395 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr B101897 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl M132969 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.5 COC1=CC=C(C=C1)C(=O)CN A134954 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.5 COC1=CC=C(C=C1)C(=O)NN M158283 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.5 COC1=CC=C(C=C1)C(=O)OC M117669 [0,0,0,0,0,0|0,0,0]=0 28 B11R1.3 B(C1=CC=C(C=C1)CC)(O)O E103180 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O M109431 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O M103215 [1,0,0,0,0,0|1,1,1]=4 31 B11R1.3 B(C1=CN=C(C=C1)OC)(O)O M102581 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O E137978 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] S299909 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.3 C1=CC(=CC=C1C#N)C(=O)Cl C153684 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.3 C1=CC(=CC=C1C#N)C(=O)N C153736 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.3 C1=CC(=CC=C1C#N)C(=O)O C108511 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.3 C1=CC(=CC=C1C(=O)O)NN H101716 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.3 C1=CC(=CC=C1C(=O)O)NN H106992 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O F109559 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.3 C1=CC(=CC=C1CBr)C(=O)O B152291 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.3 C1=CC(=CC=C1CBr)C(=O)O B471433 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.3 C1=CC(=CC=C1CCl)C(=O)Cl C103225 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.3 C1=CC(=CC=C1CCl)C(=O)N C186877 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.3 C1=CC(=CC=C1CCl)C(=O)O C137487 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.3 C1=CC(=CC=C1CN)C(=O)O A111957 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.3 C1=CC(=CC=C1CO)C(=O)O H117675 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.3 C1=CC(=NC=C1C#N)C(=O)O C135964 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.3 C1=CC(=NC=C1C(=O)O)C#N W136839 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.3 C1=CC(=NC=C1C(=O)O)NN H173382 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O V117230 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.3 CC(=C)C1=CC=C(C=C1)OC M587638 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N C153682 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O A169740 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.3 CC(=O)C1=CC=C(C=C1)NC A196189 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.3 CC(=O)C1=CC=C(C=C1)OC M103875 [1,0,0,0,0,0|0,0,0]=1 56 B11R1.3 CC(=O)C1=CC=C(C=C1)SC M101852 [1,0,0,0,0,0|0,1,0]=2 57 B11R1.3 CC(=O)C1=CN=C(C=C1)OC A115779 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.3 CC(C)C1=CC=C(C=C1)OC I157470 [1,0,0,0,0,0|1,0,1]=3 59 B11R1.3 CC(C1=CC=C(C=C1)OC)N M100571 [1,0,0,0,0,0|1,0,1]=3 60 B11R1.3 CC(C1=CC=C(C=C1)OC)N M106421 [1,0,0,0,0,0|1,0,1]=3 61 B11R1.3 CC(C1=CC=C(C=C1)OC)N M185667 [1,0,0,0,0,0|1,0,1]=3 62 B11R1.3 CC(C1=CC=C(C=C1)OC)O M169629 [1,0,0,0,0,0|0,0,2]=3 63 B11R1.3 CCC1=CC=C(C=C1)C(=O)C E156360 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl E103224 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.3 CCC1=CC=C(C=C1)C(=O)O E156333 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.3 CCC1=CC=C(C=C1)C(C)C E404444 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] E137916 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.3 CCC1=NC=C(C=N1)C(=O)O E479410 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.3 CN(C)C1=CC=C(C=C1)OC M194673 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.3 CNC1=CC=C(C=C1)C(=O)O M158381 [1,0,0,0,0,0|1,0,0]=2 71 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] M140177 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.3 COC1=CC=C(C=C1)C(=N)N M158469 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl M100611 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.3 COC1=CC=C(C=C1)C(=O)N M158329 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.3 COC1=CC=C(C=C1)C(=O)O M104368 [1,0,0,0,0,0|0,0,0]=1 76 B11R1.3 COC1=CC=C(C=C1)C(=O)O M119543 [1,0,0,0,0,0|0,0,0]=1 77 B11R1.3 COC1=CC=C(C=C1)C(=S)N M101893 [1,0,0,0,0,0|1,1,0]=3 78 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] N105584 [1,0,0,0,0,0|1,0,1]=3 79 B11R1.3 COC1=CN=C(C=C1)C(=N)N M586506 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.3 COC1=NC=C(C=C1)C(=O)N J413630 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.3 COC1=NC=C(C=C1)C(=O)O M185906 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.3 COC1=NC=C(C=C1)[N+](=O)[O-] M158827 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.3 COC1=NC=C(N=C1)C(=O)O M339526 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.3 COC1=NN=C(C=C1)C(=O)O M176803 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.3 CSC1=CC=C(C=C1)C(=O)O M158295 [1,0,0,0,0,0|0,1,0]=2 86 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] N101833 [1,0,0,0,0,0|1,1,1]=4 87 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br B187187 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br D113568 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br D128625 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl B135176 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F B123244 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O B151940 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.22 C1=CC(=CC=C1C(=O)CCl)Br B122004 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F C138866 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.22 C1=CC(=CC=C1C(=O)CCl)O C123253 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br A136664 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.22 C1=CC(=CC=C1C(=O)CN)F A184615 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br B152172 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.22 C1=CC(=CC=C1C(=O)NN)Cl C153811 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.22 C1=CC(=CC=C1C(=O)NN)F F156619 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.22 C1=CC(=CC=C1C(=O)NN)N A151536 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.22 C1=CC(=CC=C1C(=O)NN)O H106356 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.22 CC(=NO)C1=CC=C(C=C1)O H157119 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.22 CC1=CC=C(C=C1)C(=NO)N M168234 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr M113665 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.22 CC1=CC=C(C=C1)C(=O)NN M158580 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.22 CC1=CC=C(C=C1)C(=O)OC M110633 [1,0,0,0,0,0|0,0,0]=1 108 B11R1.22 CC1=CN=C(C=C1)C(=O)OC M192593 [1,0,0,0,0,0|1,0,0]=2 109 B11R1.22 CC1=CN=C(C=N1)C(=O)OC M184412 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.22 CC1=NC=C(C=C1)C(=O)OC M128103 [1,0,0,0,0,0|1,0,0]=2 111 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br B137954 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.22 CCC(=O)C1=CC=C(C=C1)C M102232 [1,0,0,0,0,0|1,0,0]=2 113 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl C109480 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.22 CCC(=O)C1=CC=C(C=C1)F F156638 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.22 CCC(=O)C1=CC=C(C=C1)N A419382 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.22 CCC(=O)C1=CC=C(C=C1)O H107590 [1,0,0,0,0,0|1,0,0]=2 117 B11R1.22 CCC(C)C1=CC=C(C=C1)O S161081 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br N183369 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.22 CNC(=O)C1=CC=C(C=C1)N A151421 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.22 CNC(=O)C1=CN=C(C=C1)Cl C193841 [1,0,0,0,0,0|3,0,0]=4 121 B11R1.22 COC(=N)C1=CC=C(C=C1)O B301321 [1,0,0,0,0,0|1,0,0]=2 122 B11R1.22 COC(=O)C1=CC=C(C=C1)Br M157997 [1,0,0,0,0,0|1,0,0]=2 123 B11R1.22 COC(=O)C1=CC=C(C=C1)Cl M158002 [1,0,0,0,0,0|1,0,0]=2 124 B11R1.22 COC(=O)C1=CC=C(C=C1)F F108020 [1,0,0,0,0,0|1,0,0]=2 125 B11R1.22 COC(=O)C1=CC=C(C=C1)I I101961 [1,0,0,0,0,0|1,0,0]=2 126 B11R1.22 COC(=O)C1=CC=C(C=C1)N M111661 [1,0,0,0,0,0|1,0,0]=2 127 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108620 [1,0,0,0,0,0|0,0,0]=1 128 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108621 [1,0,0,0,0,0|0,0,0]=1 129 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108622 [1,0,0,0,0,0|0,0,0]=1 130 B11R1.22 COC(=O)C1=CC=C(C=C1)O M111496 [1,0,0,0,0,0|0,0,0]=1 131 B11R1.22 COC(=O)C1=CC=C(C=C1)O M427229 [1,0,0,0,0,0|0,0,0]=1 132 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M102796 [1,0,0,0,0,0|0,0,1]=2 133 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M102797 [1,0,0,0,0,0|0,0,1]=2 134 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M140627 [1,0,0,0,0,0|0,0,1]=2 135 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] M133680 [1,0,0,0,0,0|1,0,1]=3 136 B11R1.22 COC(=O)C1=CN=C(C=C1)Br M175933 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.22 COC(=O)C1=CN=C(C=C1)Cl M158734 [1,0,0,0,0,0|2,0,0]=3 138 B11R1.22 COC(=O)C1=CN=C(C=C1)N M157823 [1,0,0,0,0,0|2,0,0]=3 139 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl M115555 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.22 COC(=O)C1=CN=C(C=N1)N M587135 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl M176018 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.22 COC(=O)C1=CN=C(N=C1)N M121866 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M157821 [1,0,0,0,0,0|1,0,1]=3 144 B11R1.22 COC(=O)C1=COC(=O)C=C1 M102239 [1,0,0,0,0,0|1,0,1]=3 145 B11R1.22 COC(=O)C1=NC=C(C=C1)Br M124673 [1,0,0,0,0,0|2,0,0]=3 146 B11R1.22 COC(=O)C1=NC=C(C=C1)Cl M181170 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.22 COC(=O)C1=NC=C(C=C1)F M171909 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.22 COC(=O)C1=NC=C(C=C1)N M177143 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.22 COC(=O)C1=NC=C(C=C1)O M176070 [1,0,0,0,0,0|1,0,0]=2 150 B11R1.22 COC(=O)C1=NC=C(C=N1)Br M178067 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.22 COC(=O)C1=NN=C(C=C1)Cl M177070 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.22 COC(=O)C1=NNC(=O)C=C1 M176985 [1,0,0,0,0,0|2,0,1]=4 153 B11R1.83 CC=CC1=CC=C(C=C1)OC A111314 [1,0,0,0,0,0|1,0,0]=2 154 B11R1.83 CC=CC1=CC=C(C=C1)OC A119294 [1,0,0,0,0,0|1,0,0]=2 155 B11R1.83 CC=CC1=CC=C(C=C1)OC P136392 [1,0,0,0,0,0|1,0,0]=2 156 B11R1.83 CC=CC1=CC=C(C=C1)OC T423891 [1,0,0,0,0,0|1,0,0]=2 157 B11R1.83 CCC1=CC=C(C=C1)OCC E156094 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.83 CCCC1=CC=C(C=C1)OC M586236 [1,0,0,0,0,0|1,0,1]=3 159 B11R1.83 CNCC1=CC=C(C=C1)OC M121878 [1,0,0,0,0,0|1,0,1]=3 160 B11R1.83 CNCC1=CC=C(C=C1)OC M187530 [1,0,0,0,0,0|1,0,1]=3 161 B11R1.83 COC1=CC=C(C=C1)CC#N M124732 [1,0,0,0,0,0|2,0,1]=4 162 B11R1.83 COC1=CC=C(C=C1)CC=C A151340 [1,0,0,0,0,0|1,0,2]=4 163 B11R1.83 COC1=CC=C(C=C1)CC=C A421524 [1,0,0,0,0,0|1,0,2]=4 164 B11R1.83 COC1=CC=C(C=C1)CC=O M193998 [1,0,0,0,0,0|2,0,1]=4 165 B11R1.83 COC1=CC=C(C=C1)CCBr M353698 [1,0,0,0,0,0|2,0,1]=4 166 B11R1.83 COC1=CC=C(C=C1)CCN M106422 [1,0,0,0,0,0|2,0,1]=4 167 B11R1.83 COC1=CC=C(C=C1)CCO M124605 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.83 COC1=CC=C(C=C1)CCO M493169 [1,0,0,0,0,0|2,0,1]=4 169 B11R1.83 COC1=CC=C(C=C1)CNN M175563 [1,0,0,0,0,0|2,0,1]=4 170 B11R1.83 COC1=CC=C(C=C1)CON A479616 [1,0,0,0,0,0|1,0,1]=3 171 B11R1.83 COC1=CC=C(C=C1)N=C=O M157830 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.83 COC1=CC=C(C=C1)N=C=S M140587 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.83 COC1=CC=C(C=C1)N=C=S M473065 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.83 COC1=CC=C(C=C1)NC=O M158339 [1,0,0,0,0,0|3,0,0]=4 175 B11R1.83 COC1=CC=C(C=C1)OC#N M300697 [1,0,0,0,0,0|3,0,0]=4 176 B11R1.83 COCC1=CC=C(C=C1)OC M158116 [1,0,0,0,0,0|0,0,1]=2 177 B13R1.36 CN(C)C(=O)C1=CC=C(C=C1)C#N C353027 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.39 COC1=CC=C(C=C1)C(OC)OC A111315 [0,1,0,0,0,0|0,0,2]=3 179 B13R1.95 CC1=C(C=CC(=C1)C#N)C(=O)OC M189415 [0,1,0,0,0,0|2,0,0]=3 180 B13R1.95 CC1=C(C=CC(=C1)CBr)C(=O)OC M293926 [0,1,0,0,0,0|2,0,0]=3 181 B13R1.95 CC1=C(C=CC(=C1)OC)C(=O)OC M404666 [0,1,0,0,0,0|0,0,0]=1 182 B13R1.95 CCC(=O)C1=C(C=C(C=C1)OC)O H156891 [0,1,0,0,0,0|1,0,0]=2 183 B13R1.95 COC(=O)C1=C(C=C(C=C1)C#N)F M191574 [0,1,0,0,0,0|2,0,0]=3 184 B13R1.95 COC1=CC(=C(C=C1)C(=O)OC)Br M182040 [0,1,0,0,0,0|0,0,0]=1 185 B13R1.95 COC1=CC(=C(C=C1)C(=O)OC)Cl M586230 [0,1,0,0,0,0|0,0,0]=1 186 B13R1.95 COC1=CC(=C(C=C1)C(=O)OC)N M193617 [0,1,0,0,0,0|0,0,0]=1 187 B13R1.95 COC1=CC(=C(C=C1)C(=O)OC)O M158144 [0,1,0,0,0,0|0,0,0]=1 188 B13R1.139 CCOC1=CC=C(C=C1)C(=O)OC M137124 [0,1,0,0,0,0|0,0,0]=1 189 B13R1.139 COC(=O)C1=CC=C(C=C1)CC#N M122567 [0,1,0,0,0,0|1,0,1]=3 190 B13R1.139 COC(=O)C1=CC=C(C=C1)N=C=O M168826 [0,1,0,0,0,0|1,0,1]=3 191 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC M158246 [0,1,0,0,0,0|1,0,0]=2 192 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#C E586271 [0,1,0,0,0,0|1,0,1]=3 193 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#N E156444 [0,1,0,0,0,0|2,0,0]=3 194 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr E330588 [0,1,0,0,0,0|2,0,0]=3 195 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CCl E156519 [0,1,0,0,0,0|2,0,0]=3 196 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN E331243 [0,1,0,0,0,0|2,0,0]=3 197 B13R1.452 CCOC(=O)C1=CC=C(C=C1)OC E189236 [0,1,0,0,0,0|0,0,0]=1 198 B13R1.452 CCOC(=O)C1=CN=C(C=N1)OC E193830 [0,1,0,0,0,0|2,0,0]=3 199 B13R1.452 CCOC(=O)C1=NC=C(C=C1)C#N E358689 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N M123308 [0,1,0,0,0,0|1,0,1]=3 201 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl C140247 [0,1,0,0,0,0|1,0,0]=2 202 B13R1.537 B(C1=CC=C(C=C1)C(=O)NC)(O)O N180149 [0,1,0,0,0,0|3,0,0]=4 203 B13R1.537 B(C1=CC=C(C=C1)C(=O)OC)(O)O M101104 [0,1,0,0,0,0|2,0,0]=3 204 B13R1.537 C1=CC(=CC=C1C(=O)ON)[N+](=O)[O-] O159945 [0,1,0,0,0,0|3,0,0]=4 205 B13R1.537 CC(=O)C1=CC=C(C=C1)C(=O)OC M123077 [0,1,0,0,0,0|1,0,0]=2 206 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)OC M404763 [0,1,0,0,0,0|1,0,0]=2 207 B13R1.537 CC(C1=CC=C(C=C1)C(=O)OC)Br M191325 [0,1,0,0,0,0|1,0,0]=2 208 B13R1.537 CC(C1=CC=C(C=C1)C(=O)OC)N R188058 [0,1,0,0,0,0|1,0,0]=2 209 B13R1.537 CC(C1=CC=C(C=C1)C(=O)OC)N S195269 [0,1,0,0,0,0|1,0,0]=2 210 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)OC M132215 [0,1,0,0,0,0|1,0,0]=2 211 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)Cl M123590 [0,1,0,0,0,0|2,0,0]=3 212 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)O M106178 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)[O-] P160358 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.537 COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] E106598 [0,1,0,0,0,0|2,0,0]=3 215 B13R1.537 COC(=O)C1=CN=C(C=C1)C(=O)O M182201 [0,1,0,0,0,0|3,0,0]=4 216 B13R1.537 COC(=O)C1=NC=C(C=C1)C(=O)O M182200 [0,1,0,0,0,0|3,0,0]=4 217 B13R1.3088 CC1=C(C=CC(=C1)C(=O)OC)C#N M192371 [0,1,0,0,0,0|2,0,0]=3 218 B13R1.3088 CC1=C(C=CC(=C1)C(=O)OC)C=O M588352 [0,1,0,0,0,0|2,0,0]=3 219 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C#N)F M183310 [0,1,0,0,0,0|2,0,0]=3 220 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)Br M590655 [0,1,0,0,0,0|2,0,0]=3 221 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)F M186393 [0,1,0,0,0,0|2,0,0]=3 222 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)O M588382 [0,1,0,0,0,0|2,0,0]=3 223 B13R1.3088 COC(=O)C1=CC(=C(C=C1)CBr)Cl M186394 [0,1,0,0,0,0|2,0,0]=3 224 B13R1.3088 COC(=O)C1=CC(=C(C=C1)CO)F M188422 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)Br M133815 [0,1,0,0,0,0|0,0,0]=1 226 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)Cl M170014 [0,1,0,0,0,0|0,0,0]=1 227 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)F M133676 [0,1,0,0,0,0|0,0,0]=1 228 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)I M158187 [0,1,0,0,0,0|0,0,0]=1 229 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)N M120338 [0,1,0,0,0,0|0,0,0]=1 230 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)O M136715 [0,1,0,0,0,0|0,0,0]=1 231 B13R2.2130 C1C2=C(C=CC(=C2)C#N)C(=O)O1 C108039 [0,0,0,1,0,0|2,0,0]=3 232 B13R2.2130 CC1=C2C=CC(=CC2=NN1)OC M186574 [0,0,0,1,0,0|3,0,0]=4 233 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 M119751 [0,0,0,1,0,0|1,0,0]=2 234 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 M587449 [0,0,0,1,0,0|2,0,0]=3 235 B11R1.44 COC(=O)C1=CC(=CN1)C=O M184375 [0,0,0,0,1,0|3,0,0]=4 236 B11R1.44 COC(=O)C1=CC=C(N1)C=O M180030 [0,0,0,0,1,0|3,0,0]=4 237 B11R1.44 COC(=O)C1=CC=C(O1)C=O M354352 [0,0,0,0,1,0|3,0,0]=4 238 B11R1.44 COC(=O)C1=CC=C(O1)CO M335385 [0,0,0,0,1,0|3,0,0]=4 239 B11R1.44 COC(=O)C1=CSC(=C1)C=O F136718 [0,0,0,0,1,0|3,0,0]=4 240 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O B301263 [0,0,0,0,0,1|3,0,0]=4 241 B13R1.5 COC(=O)CC1=CC=C(C=C1)C#N M184991 [0,0,0,0,0,1|2,0,0]=3 242 B13R1.5 COC(=O)CC1=CC=C(C=C1)C=O M590868 [0,0,0,0,0,1|2,0,0]=3 243 B13R1.5 COC(=O)CC1=CC=C(C=C1)CBr M194828 [0,0,0,0,0,1|2,0,0]=3 244 B13R1.5 COC1=CC=C(C=C1)CC(=O)OC M158713 [0,0,0,0,0,1|0,0,0]=1 245 B10R0.59 COC(=O)CC=CC(=O)OC D170731 [1,0,1,0,0,0|1,0,1]=4 246 B10R1.3 C#CC1=CC=C(C=C1)C=O E139128 [2,0,0,0,0,0|1,0,1]=4 247 B10R1.3 C1=CC(=CC=C1C=O)C#N F100751 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.3 C1=CC(=CC=C1C=O)C=O P105980 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.3 C1=CC(=CC=C1CBr)C=O B184885 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.3 C1=CC(=CC=C1CCl)C=O C194802 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.3 C1=CC(=CC=C1CO)C=O H193722 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.3 C=CC1=CC=C(C=C1)C=O V587715 [2,0,0,0,0,0|1,0,1]=4 253 B10R1.3 CCC1=CC=C(C=C1)C=O E102795 [2,0,0,0,0,0|1,0,0]=3 254 B10R1.3 CCC1=CC=C(C=C1)CC D107652 [2,0,0,0,0,0|1,0,1]=4 255 B10R1.3 CCC1=CC=C(C=C1)CC D107653 [2,0,0,0,0,0|1,0,1]=4 256 B10R1.3 CCC1=CC=C(C=C1)CO E156110 [2,0,0,0,0,0|1,0,1]=4 257 B10R1.3 CCC1=CC=C(C=C1)OC E137475 [2,0,0,0,0,0|0,0,1]=3 258 B10R1.3 CNC1=CC=C(C=C1)OC I133933 [2,0,0,0,0,0|1,0,0]=3 259 B10R1.3 COC1=CC=C(C=C1)C#C M111332 [2,0,0,0,0,0|0,0,2]=4 260 B10R1.3 COC1=CC=C(C=C1)C#N M111093 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.3 COC1=CC=C(C=C1)C=C M103131 [2,0,0,0,0,0|0,0,1]=3 262 B10R1.3 COC1=CC=C(C=C1)C=O A108955 [2,0,0,0,0,0|0,0,0]=2 263 B10R1.3 COC1=CC=C(C=C1)C=O A108956 [2,0,0,0,0,0|0,0,0]=2 264 B10R1.3 COC1=CC=C(C=C1)C=O A108957 [2,0,0,0,0,0|0,0,0]=2 265 B10R1.3 COC1=CC=C(C=C1)C=O A108958 [2,0,0,0,0,0|0,0,0]=2 266 B10R1.3 COC1=CC=C(C=C1)C=O P421001 [2,0,0,0,0,0|0,0,0]=2 267 B10R1.3 COC1=CC=C(C=C1)CCl M491599 [2,0,0,0,0,0|1,0,1]=4 268 B10R1.3 COC1=CC=C(C=C1)CN M123767 [2,0,0,0,0,0|1,0,1]=4 269 B10R1.3 COC1=CC=C(C=C1)CO M107568 [2,0,0,0,0,0|0,0,1]=3 270 B10R1.3 COC1=CC=C(C=C1)CS M101790 [2,0,0,0,0,0|0,1,1]=4 271 B10R1.3 COC1=CC=C(C=C1)CS M414622 [2,0,0,0,0,0|0,1,1]=4 272 B10R1.3 COC1=CC=C(C=C1)OC D104711 [2,0,0,0,0,0|0,0,0]=2 273 B10R1.3 COC1=CC=C(C=C1)OC D137778 [2,0,0,0,0,0|0,0,0]=2 274 B10R1.3 COC1=CC=C(C=C1)SC M101846 [2,0,0,0,0,0|0,1,0]=3 275 B10R1.3 COC1=CC=C(C=C1)[N+]#N M123217 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.3 COC1=CC=C(C=C1)[N+]#[C-] M165558 [2,0,0,0,0,0|1,0,1]=4 277 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [2,0,0,0,0,0|1,0,0]=3 278 B10R1.3 COC1=CN=C(C=C1)CO M190450 [2,0,0,0,0,0|1,0,1]=4 279 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [2,0,0,0,0,0|1,0,0]=3 280 B10R1.3 COC1=NC=C(C=C1)CO M176865 [2,0,0,0,0,0|1,0,1]=4 281 B10R1.3 COC1=NC=C(C=N1)C=O F337248 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.3 COC1=NN=C(C=C1)OC D303761 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.3 CSC1=CC=C(C=C1)C=O P133663 [2,0,0,0,0,0|0,1,0]=3 284 B10R1.3 CSC1=CC=C(C=C1)CO M101850 [2,0,0,0,0,0|0,1,1]=4 285 B10R1.13 B(C1=CC=C(C=C1)C)(O)O P290670 [2,0,0,0,0,0|1,0,1]=4 286 B10R1.13 B(C1=CC=C(C=C1)C)(O)O P396101 [2,0,0,0,0,0|1,0,1]=4 287 B10R1.13 B(C1=CC=C(C=C1)C)(O)O T111324 [2,0,0,0,0,0|1,0,1]=4 288 B10R1.13 B(C1=CC=C(C=C1)O)(O)O C107574 [2,0,0,0,0,0|1,0,1]=4 289 B10R1.13 C1=CC(=CC=C1C(=N)N)O H121877 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Br B103223 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Cl C106079 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F F109226 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.13 C1=CC(=CC=C1C(=O)Cl)I I157591 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.13 C1=CC(=CC=C1C(=O)N)Br B133990 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl C153725 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.13 C1=CC(=CC=C1C(=O)N)F F109724 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.13 C1=CC(=CC=C1C(=O)N)I I135499 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.13 C1=CC(=CC=C1C(=O)N)N A107276 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.13 C1=CC(=CC=C1C(=O)N)O H157094 [2,0,0,0,0,0|1,0,0]=3 300 B10R1.13 C1=CC(=CC=C1C(=O)O)Br B104344 [2,0,0,0,0,0|1,0,0]=3 301 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104333 [2,0,0,0,0,0|1,0,0]=3 302 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104334 [2,0,0,0,0,0|1,0,0]=3 303 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C433417 [2,0,0,0,0,0|1,0,0]=3 304 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105088 [2,0,0,0,0,0|1,0,0]=3 305 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105089 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.13 C1=CC(=CC=C1C(=O)O)I I105098 [2,0,0,0,0,0|1,0,0]=3 307 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108862 [2,0,0,0,0,0|1,0,0]=3 308 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108863 [2,0,0,0,0,0|1,0,0]=3 309 B10R1.13 C1=CC(=CC=C1C(=O)O)N A421766 [2,0,0,0,0,0|1,0,0]=3 310 B10R1.13 C1=CC(=CC=C1C(=O)O)N A432150 [2,0,0,0,0,0|1,0,0]=3 311 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108508 [2,0,0,0,0,0|0,0,0]=2 312 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108509 [2,0,0,0,0,0|0,0,0]=2 313 B10R1.13 C1=CC(=CC=C1C(=O)O)O P427231 [2,0,0,0,0,0|0,0,0]=2 314 B10R1.13 C1=CC(=CC=C1C(=O)O)S M100780 [2,0,0,0,0,0|0,1,0]=3 315 B10R1.13 C1=CC(=CC=C1C(=O)O)S M431355 [2,0,0,0,0,0|0,1,0]=3 316 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F S358726 [2,0,0,0,0,0|1,0,1]=4 317 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111607 [2,0,0,0,0,0|1,0,1]=4 318 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111608 [2,0,0,0,0,0|1,0,1]=4 319 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A167159 [2,0,0,0,0,0|1,0,1]=4 320 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A474259 [2,0,0,0,0,0|1,0,1]=4 321 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105643 [2,0,0,0,0,0|0,0,1]=3 322 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105644 [2,0,0,0,0,0|0,0,1]=3 323 B10R1.13 C1=CC(=CC=C1C(=S)N)O H101894 [2,0,0,0,0,0|1,1,0]=4 324 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N108643 [2,0,0,0,0,0|1,0,1]=4 325 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N591132 [2,0,0,0,0,0|1,0,1]=4 326 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O P572406 [2,0,0,0,0,0|1,0,1]=4 327 B10R1.13 C1=CC(=NC=C1Br)C(=O)O B151859 [2,0,0,0,0,0|2,0,0]=4 328 B10R1.13 C1=CC(=NC=C1C(=O)O)Br B151851 [2,0,0,0,0,0|2,0,0]=4 329 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl C128115 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.13 C1=CC(=NC=C1C(=O)O)F F170170 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.13 C1=CC(=NC=C1C(=O)O)N A113866 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O C137081 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.13 C1=CC(=NC=C1F)C(=O)O F137992 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.13 C1=CC(=NC=C1N)C(=O)O A123111 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.13 C1=CC(=NC=C1O)C(=O)O H156934 [2,0,0,0,0,0|1,0,0]=3 336 B10R1.13 C1=CC(=O)NC=C1C(=O)O H108017 [2,0,0,0,0,0|1,0,1]=4 337 B10R1.13 C1=CC(=O)NC=C1C(=O)O H108018 [2,0,0,0,0,0|1,0,1]=4 338 B10R1.13 C1=CC(=O)NC=C1C(=O)O H424315 [2,0,0,0,0,0|1,0,1]=4 339 B10R1.13 C1=CC(=O)OC=C1C(=O)O C153427 [2,0,0,0,0,0|1,0,1]=4 340 B10R1.13 C1=CC(=O)OC=C1C(=O)O C197213 [2,0,0,0,0,0|1,0,1]=4 341 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] I157692 [2,0,0,0,0,0|1,0,1]=4 342 B10R1.13 CC(=C)C1=CC=C(C=C1)F F156644 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.13 CC(=C)C1=CC=C(C=C1)O P193379 [2,0,0,0,0,0|1,0,0]=3 344 B10R1.13 CC(=O)C1=CC=C(C=C1)Br B106981 [2,0,0,0,0,0|1,0,0]=3 345 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl C103870 [2,0,0,0,0,0|1,0,0]=3 346 B10R1.13 CC(=O)C1=CC=C(C=C1)F F101384 [2,0,0,0,0,0|1,0,0]=3 347 B10R1.13 CC(=O)C1=CC=C(C=C1)I I107027 [2,0,0,0,0,0|1,0,0]=3 348 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110613 [2,0,0,0,0,0|1,0,0]=3 349 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110614 [2,0,0,0,0,0|1,0,0]=3 350 B10R1.13 CC(=O)C1=CC=C(C=C1)N A151685 [2,0,0,0,0,0|1,0,0]=3 351 B10R1.13 CC(=O)C1=CC=C(C=C1)O H102969 [2,0,0,0,0,0|0,0,0]=2 352 B10R1.13 CC(=O)C1=CC=C(C=C1)S M407301 [2,0,0,0,0,0|0,1,0]=3 353 B10R1.13 CC(=O)C1=CN=C(C=C1)Br B115765 [2,0,0,0,0,0|2,0,0]=4 354 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl A151743 [2,0,0,0,0,0|2,0,0]=4 355 B10R1.13 CC(=O)C1=CN=C(C=C1)F F186855 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.13 CC(=O)C1=NC=C(C=C1)Br B182791 [2,0,0,0,0,0|2,0,0]=4 357 B10R1.13 CC(=O)C1=NC=C(C=C1)O H194521 [2,0,0,0,0,0|1,0,0]=3 358 B10R1.13 CC(C)C1=CC=C(C=C1)O I101756 [2,0,0,0,0,0|1,0,1]=4 359 B10R1.13 CC(C1=CC=C(C=C1)O)O H192225 [2,0,0,0,0,0|0,0,2]=4 360 B10R1.13 CC1=CC=C(C=C1)C(=C)C I157628 [2,0,0,0,0,0|1,0,0]=3 361 B10R1.13 CC1=CC=C(C=C1)C(=N)N M135239 [2,0,0,0,0,0|2,0,0]=4 362 B10R1.13 CC1=CC=C(C=C1)C(=O)C M106726 [2,0,0,0,0,0|0,0,0]=2 363 B10R1.13 CC1=CC=C(C=C1)C(=O)C M140798 [2,0,0,0,0,0|0,0,0]=2 364 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl T106376 [2,0,0,0,0,0|1,0,0]=3 365 B10R1.13 CC1=CC=C(C=C1)C(=O)N P160467 [2,0,0,0,0,0|1,0,0]=3 366 B10R1.13 CC1=CC=C(C=C1)C(=O)O T104320 [2,0,0,0,0,0|0,0,0]=2 367 B10R1.13 CC1=CC=C(C=C1)C(=O)O T119535 [2,0,0,0,0,0|0,0,0]=2 368 B10R1.13 CC1=CC=C(C=C1)C(=O)O T305431 [2,0,0,0,0,0|0,0,0]=2 369 B10R1.13 CC1=CC=C(C=C1)C(=S)N M140148 [2,0,0,0,0,0|1,1,0]=4 370 B10R1.13 CC1=CC=C(C=C1)C(C)C D102667 [2,0,0,0,0,0|1,0,1]=4 371 B10R1.13 CC1=CC=C(C=C1)C(C)C D118512 [2,0,0,0,0,0|1,0,1]=4 372 B10R1.13 CC1=CC=C(C=C1)C(C)C I105448 [2,0,0,0,0,0|1,0,1]=4 373 B10R1.13 CC1=CC=C(C=C1)C(C)C I105449 [2,0,0,0,0,0|1,0,1]=4 374 B10R1.13 CC1=CC=C(C=C1)C(C)C I105451 [2,0,0,0,0,0|1,0,1]=4 375 B10R1.13 CC1=CC=C(C=C1)C(C)N D113666 [2,0,0,0,0,0|1,0,1]=4 376 B10R1.13 CC1=CC=C(C=C1)C(C)N P160184 [2,0,0,0,0,0|1,0,1]=4 377 B10R1.13 CC1=CC=C(C=C1)C(C)N R160847 [2,0,0,0,0,0|1,0,1]=4 378 B10R1.13 CC1=CC=C(C=C1)C(C)O P160711 [2,0,0,0,0,0|0,0,2]=4 379 B10R1.13 CC1=CC=C(C=C1)N(C)C N158974 [2,0,0,0,0,0|2,0,0]=4 380 B10R1.13 CC1=CC=C(C=C1)S(=O)C M304998 [2,0,0,0,0,0|1,0,0]=3 381 B10R1.13 CC1=CC=C(C=C1)S(=O)N I168991 [2,0,0,0,0,0|2,0,0]=4 382 B10R1.13 CC1=CC=C(C=C1)S(=O)N S161364 [2,0,0,0,0,0|2,0,0]=4 383 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] L348763 [2,0,0,0,0,0|1,0,1]=4 384 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S100400 [2,0,0,0,0,0|1,0,1]=4 385 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S100401 [2,0,0,0,0,0|1,0,1]=4 386 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S161159 [2,0,0,0,0,0|1,0,1]=4 387 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N104645 [2,0,0,0,0,0|1,0,1]=4 388 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N104647 [2,0,0,0,0,0|1,0,1]=4 389 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N118455 [2,0,0,0,0,0|1,0,1]=4 390 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N119545 [2,0,0,0,0,0|1,0,1]=4 391 B10R1.13 CC1=CN=C(C=C1)C(=O)C A185017 [2,0,0,0,0,0|1,0,0]=3 392 B10R1.13 CC1=CN=C(C=C1)C(=O)O M193433 [2,0,0,0,0,0|1,0,0]=3 393 B10R1.13 CC1=CN=C(C=N1)C(=O)O M106709 [2,0,0,0,0,0|2,0,0]=4 394 B10R1.13 CC1=NC=C(C=C1)C(=O)C A123439 [2,0,0,0,0,0|1,0,0]=3 395 B10R1.13 CC1=NC=C(C=C1)C(=O)N M139191 [2,0,0,0,0,0|2,0,0]=4 396 B10R1.13 CC1=NC=C(C=C1)C(=O)O M128104 [2,0,0,0,0,0|1,0,0]=3 397 B10R1.13 CC1=NC=C(C=N1)C(=O)O M120447 [2,0,0,0,0,0|2,0,0]=4 398 B10R1.13 CN(C)C1=CC=C(C=C1)O D194230 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.13 CS(=O)C1=CC=C(C=C1)Br B188392 [2,0,0,0,0,0|2,0,0]=4 400 B10R1.13 C[S+](C)C1=CC=C(C=C1)O H156984 [2,0,0,0,0,0|2,0,0]=4 401 B10R1.1 CC1=CC=C(C=C1)CNC N300479 [2,0,0,0,0,0|1,0,1]=4 402 B10R1.1 CCCC1=CC=C(C=C1)C P160392 [2,0,0,0,0,0|1,0,1]=4 403 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [2,0,0,0,0,0|1,0,1]=4 404 B10R1.1 CCNC1=CC=C(C=C1)C N158982 [2,0,0,0,0,0|2,0,0]=4 405 B10R1.1 CCOC1=CC=C(C=C1)O E124314 [2,0,0,0,0,0|2,0,0]=4 406 B10R1.1 COCC1=CC=C(C=C1)Br B181671 [2,0,0,0,0,0|1,0,1]=4 407 B10R1.1 COCC1=CC=C(C=C1)O M170858 [2,0,0,0,0,0|0,0,1]=3 408 B10R1.15 C#CC(=O)C1=CC=CC=C1 P303550 [2,0,0,0,0,0|1,0,1]=4 409 B10R1.15 C1=CC=C(C=C1)C(=O)C#N B101370 [2,0,0,0,0,0|2,0,0]=4 410 B10R1.15 C1=CC=C(C=C1)C(=O)C=O P165810 [2,0,0,0,0,0|2,0,0]=4 411 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B103328 [2,0,0,0,0,0|2,0,0]=4 412 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B131582 [2,0,0,0,0,0|2,0,0]=4 413 B10R1.15 C1=CC=C(C=C1)C(=O)CCl C475739 [2,0,0,0,0,0|2,0,0]=4 414 B10R1.15 C1=CC=C(C=C1)C(=O)CN A123237 [2,0,0,0,0,0|2,0,0]=4 415 B10R1.15 C1=CC=C(C=C1)C(=O)CO H102370 [2,0,0,0,0,0|2,0,0]=4 416 B10R1.15 C1=CC=C(C=C1)C(=O)NN B104697 [2,0,0,0,0,0|2,0,0]=4 417 B10R1.15 C1=CC=C(C=C1)C(=O)NO B152659 [2,0,0,0,0,0|2,0,0]=4 418 B10R1.15 C1=CC=C(C=C1)C(=O)N[O-] S161112 [2,0,0,0,0,0|2,0,0]=4 419 B10R1.15 C=CC(=O)C1=CC=CC=C1 P304587 [2,0,0,0,0,0|1,0,1]=4 420 B10R1.15 CCC(=C)C1=CC=CC=C1 B302726 [2,0,0,0,0,0|2,0,0]=4 421 B10R1.15 CCC(=O)C1=CN=CC=C1 P131764 [2,0,0,0,0,0|2,0,0]=4 422 B10R1.15 CNC(=O)C1=CC=CC=C1 N304144 [2,0,0,0,0,0|1,0,0]=3 423 B10R1.15 CNC(=O)C1=CN=CC=C1 N159805 [2,0,0,0,0,0|2,0,0]=4 424 B10R1.15 CNC(=O)C1=CN=CC=C1 N420708 [2,0,0,0,0,0|2,0,0]=4 425 B10R1.15 COC(=N)C1=CC=CC=C1 M158319 [2,0,0,0,0,0|1,0,0]=3 426 B10R1.15 COC(=N)C1=CC=CC=N1 M157825 [2,0,0,0,0,0|2,0,0]=4 427 B10R1.15 COC(=O)C1=CC=CC=C1 M108588 [2,0,0,0,0,0|0,0,0]=2 428 B10R1.15 COC(=O)C1=CC=CC=C1 M108589 [2,0,0,0,0,0|0,0,0]=2 429 B10R1.15 COC(=O)C1=CC=CC=C1 M108590 [2,0,0,0,0,0|0,0,0]=2 430 B10R1.15 COC(=O)C1=CC=CC=C1 M108591 [2,0,0,0,0,0|0,0,0]=2 431 B10R1.15 COC(=O)C1=CC=CC=C1 M282394 [2,0,0,0,0,0|0,0,0]=2 432 B10R1.15 COC(=O)C1=CC=CC=N1 M157799 [2,0,0,0,0,0|1,0,0]=3 433 B10R1.15 COC(=O)C1=CC=NC=C1 M157816 [2,0,0,0,0,0|1,0,0]=3 434 B10R1.15 COC(=O)C1=CN=CC=C1 M120395 [2,0,0,0,0,0|1,0,0]=3 435 B10R1.15 COC(=O)C1=CN=CC=C1 M426993 [2,0,0,0,0,0|1,0,0]=3 436 B10R1.15 COC(=O)C1=NC=CC=N1 M129074 [2,0,0,0,0,0|2,0,0]=4 437 B10R1.15 COC(=O)C1=NC=CN=C1 M158371 [2,0,0,0,0,0|2,0,0]=4 438 B10R1.15 COS(=O)C1=CC=CC=C1 M158264 [2,0,0,0,0,0|1,0,0]=3 439 B10R1.15 C\C=C(\C)/C1=CC=CC=C1 C348081 [2,0,0,0,0,0|2,0,0]=4 440 B12R1.6 CC(C)(C)C1=CC=C(C=C1)OC T162716 [1,1,0,0,0,0|1,0,1]=4 441 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)O E301009 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl M106423 [1,1,0,0,0,0|1,0,1]=4 443 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)N M165982 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.48 B(C1=CC(=C(C=C1)OC)C)(O)O M138383 [1,1,0,0,0,0|1,0,1]=4 445 B12R1.48 B(C1=CC(=C(C=C1)OC)Cl)(O)O C104324 [1,1,0,0,0,0|1,0,1]=4 446 B12R1.48 B(C1=CC(=C(C=C1)OC)F)(O)O F120101 [1,1,0,0,0,0|1,0,1]=4 447 B12R1.48 C1=CC(=C(C=C1C(=O)O)Br)C=O B195839 [1,1,0,0,0,0|2,0,0]=4 448 B12R1.48 C1=CC(=C(C=C1C(=O)O)F)C#N W132802 [1,1,0,0,0,0|2,0,0]=4 449 B12R1.48 C1=CC(=C(C=C1C(=O)O)O)C=O F135039 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.48 CC(=O)C1=CC(=C(C=C1)C#N)F A588129 [1,1,0,0,0,0|2,0,0]=4 451 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Br B192945 [1,1,0,0,0,0|0,0,0]=2 452 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl C154061 [1,1,0,0,0,0|0,0,0]=2 453 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)F F123262 [1,1,0,0,0,0|0,0,0]=2 454 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)O H139073 [1,1,0,0,0,0|0,0,0]=2 455 B12R1.48 CC(C1=CC(=C(C=C1)OC)Br)O B330553 [1,1,0,0,0,0|0,0,2]=4 456 B12R1.48 CC(C1=CC(=C(C=C1)OC)F)O F357165 [1,1,0,0,0,0|0,0,2]=4 457 B12R1.48 CC1=C(C=CC(=C1)C(=O)O)C#N C194823 [1,1,0,0,0,0|2,0,0]=4 458 B12R1.48 CC1=C(C=CC(=C1)C(=O)O)OC M158249 [1,1,0,0,0,0|0,0,0]=2 459 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])OC M134178 [1,1,0,0,0,0|1,0,1]=4 460 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F F124505 [1,1,0,0,0,0|1,0,0]=3 461 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N A151420 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br B151835 [1,1,0,0,0,0|0,0,0]=2 463 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl C136170 [1,1,0,0,0,0|0,0,0]=2 464 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F F121780 [1,1,0,0,0,0|0,0,0]=2 465 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I I157660 [1,1,0,0,0,0|0,0,0]=2 466 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N A113935 [1,1,0,0,0,0|0,0,0]=2 467 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O I113428 [1,1,0,0,0,0|0,0,0]=2 468 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br B153121 [1,1,0,0,0,0|1,0,1]=4 469 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl C153293 [1,1,0,0,0,0|1,0,1]=4 470 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F F122599 [1,1,0,0,0,0|1,0,1]=4 471 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])O M100616 [1,1,0,0,0,0|1,0,1]=4 472 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] N159808 [1,1,0,0,0,0|1,0,1]=4 473 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)Br B189935 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.48 COC1=C(N=C(C=C1)C(=O)O)Br B492065 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.113 B(C1=CC=C(C=C1)COC)(O)O M183389 [1,1,0,0,0,0|1,0,1]=4 476 B12R1.113 B(C1=CC=C(C=C1)OCC)(O)O E103207 [1,1,0,0,0,0|1,0,1]=4 477 B12R1.113 C1=CC(=CC=C1C(=O)O)N=C=S C349354 [1,1,0,0,0,0|1,0,1]=4 478 B12R1.113 C1=CC(=CC=C1C(=O)O)N=[N+]=[N-] A136691 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.113 C1=CC(=CC=C1CC#N)C(=O)O C184848 [1,1,0,0,0,0|1,0,1]=4 480 B12R1.113 C1=CC(=CC=C1CCBr)C(=O)O B123906 [1,1,0,0,0,0|1,0,0]=3 481 B12R1.113 CC(=O)C1=CC=C(C=C1)N=C=O A170590 [1,1,0,0,0,0|1,0,1]=4 482 B12R1.113 CC(=O)C1=CC=C(C=C1)N=C=S A140590 [1,1,0,0,0,0|1,0,1]=4 483 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C P138618 [1,1,0,0,0,0|1,0,0]=3 484 B12R1.113 CCCC1=CC=C(C=C1)C(=O)Cl P133875 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O P160279 [1,1,0,0,0,0|1,0,0]=3 486 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O E331267 [1,1,0,0,0,0|1,0,0]=3 487 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C E103881 [1,1,0,0,0,0|0,0,0]=2 488 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl E131914 [1,1,0,0,0,0|1,0,0]=3 489 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O E113366 [1,1,0,0,0,0|0,0,0]=2 490 B12R1.113 CCOC1=CC=C(C=C1)[N+](=O)[O-] N159806 [1,1,0,0,0,0|1,0,1]=4 491 B12R1.113 CCOC1=NC=C(C=C1)C(=O)O E349238 [1,1,0,0,0,0|1,0,0]=3 492 B12R1.113 CCSC1=CC=C(C=C1)C(=O)O E166949 [1,1,0,0,0,0|0,1,0]=3 493 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O A100554 [1,1,0,0,0,0|2,0,0]=4 494 B12R1.256 B(C1=CC=C(C=C1)C(=O)O)(O)O C101099 [1,1,0,0,0,0|2,0,0]=4 495 B12R1.256 C1=CC(=CC=C1C(=O)N)C(=O)O T162190 [1,1,0,0,0,0|2,0,0]=4 496 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P108506 [1,1,0,0,0,0|2,0,0]=4 497 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P303203 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P303204 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P420255 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N104356 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N104357 [1,1,0,0,0,0|2,0,0]=4 502 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N119544 [1,1,0,0,0,0|2,0,0]=4 503 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N305342 [1,1,0,0,0,0|2,0,0]=4 504 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N433134 [1,1,0,0,0,0|2,0,0]=4 505 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C D155466 [1,1,0,0,0,0|2,0,0]=4 506 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C D154226 [1,1,0,0,0,0|1,0,0]=3 507 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)Cl A301460 [1,1,0,0,0,0|2,0,0]=4 508 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O A151401 [1,1,0,0,0,0|1,0,0]=3 509 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C D123258 [1,1,0,0,0,0|1,0,0]=3 510 B12R1.256 CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] N105745 [1,1,0,0,0,0|2,0,0]=4 511 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C I121833 [1,1,0,0,0,0|1,0,0]=3 512 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O I107765 [1,1,0,0,0,0|1,0,0]=3 513 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O D155093 [1,1,0,0,0,0|1,0,0]=3 514 B12R1.452 B(C1=C(C=C(C=C1)OC)C)(O)O M102154 [1,1,0,0,0,0|1,0,1]=4 515 B12R1.452 B(C1=C(C=C(C=C1)OC)Cl)(O)O C102575 [1,1,0,0,0,0|1,0,1]=4 516 B12R1.452 B(C1=C(C=C(C=C1)OC)F)(O)O F120093 [1,1,0,0,0,0|1,0,1]=4 517 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O C111119 [1,1,0,0,0,0|2,0,0]=4 518 B12R1.452 C1=CC(=C(C=C1CO)F)C(=O)O F168590 [1,1,0,0,0,0|2,0,0]=4 519 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F F123261 [1,1,0,0,0,0|0,0,0]=2 520 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N A303698 [1,1,0,0,0,0|0,0,0]=2 521 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O H111081 [1,1,0,0,0,0|0,0,0]=2 522 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O H111082 [1,1,0,0,0,0|0,0,0]=2 523 B12R1.452 CC1=C(C=CC(=C1)C#N)C(=O)O C587953 [1,1,0,0,0,0|2,0,0]=4 524 B12R1.452 CC1=C(C=CC(=C1)OC)C(=O)O W137647 [1,1,0,0,0,0|0,0,0]=2 525 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] M122605 [1,1,0,0,0,0|1,0,1]=4 526 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O M140197 [1,1,0,0,0,0|1,0,0]=3 527 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Br B186370 [1,1,0,0,0,0|0,0,0]=2 528 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl C123875 [1,1,0,0,0,0|0,0,0]=2 529 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F F124306 [1,1,0,0,0,0|0,0,0]=2 530 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I I589429 [1,1,0,0,0,0|0,0,0]=2 531 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N A123844 [1,1,0,0,0,0|0,0,0]=2 532 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O M158290 [1,1,0,0,0,0|0,0,0]=2 533 B12R1.452 COC1=CC(=C(C=C1)C(C)=O)O P407787 [1,1,0,0,0,0|0,0,0]=2 534 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])Br B196145 [1,1,0,0,0,0|1,0,1]=4 535 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F F184588 [1,1,0,0,0,0|1,0,1]=4 536 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])N M121857 [1,1,0,0,0,0|1,0,1]=4 537 B12R1.452 COC1=NC(=C(C=C1)C(=O)O)Cl C170633 [1,1,0,0,0,0|1,0,0]=3 538 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)NC M130028 [1,1,0,0,0,0|2,0,0]=4 539 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)OC M105176 [1,1,0,0,0,0|1,0,0]=3 540 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)OC M105177 [1,1,0,0,0,0|1,0,0]=3 541 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br B123235 [1,1,0,0,0,0|2,0,0]=4 542 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl D137588 [1,1,0,0,0,0|2,0,0]=4 543 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F C123479 [1,1,0,0,0,0|2,0,0]=4 544 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N M186346 [1,1,0,0,0,0|1,0,1]=4 545 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl M123481 [1,1,0,0,0,0|1,0,0]=3 546 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl C154065 [1,1,0,0,0,0|2,0,0]=4 547 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F F194057 [1,1,0,0,0,0|2,0,0]=4 548 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O H156888 [1,1,0,0,0,0|1,0,0]=3 549 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br E139030 [1,1,0,0,0,0|1,0,0]=3 550 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C E102804 [1,1,0,0,0,0|0,0,0]=2 551 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl E133577 [1,1,0,0,0,0|1,0,0]=3 552 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F F102053 [1,1,0,0,0,0|1,0,0]=3 553 B12R1.16 CCOC(=O)C1=CC=C(C=C1)I E103133 [1,1,0,0,0,0|1,0,0]=3 554 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N B339999 [1,1,0,0,0,0|1,0,0]=3 555 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N B413165 [1,1,0,0,0,0|1,0,0]=3 556 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N B422751 [1,1,0,0,0,0|1,0,0]=3 557 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D110733 [1,1,0,0,0,0|1,0,0]=3 558 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D274248 [1,1,0,0,0,0|1,0,0]=3 559 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D292253 [1,1,0,0,0,0|1,0,0]=3 560 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397439 [1,1,0,0,0,0|1,0,0]=3 561 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397448 [1,1,0,0,0,0|1,0,0]=3 562 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397464 [1,1,0,0,0,0|1,0,0]=3 563 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397468 [1,1,0,0,0,0|1,0,0]=3 564 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397487 [1,1,0,0,0,0|1,0,0]=3 565 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D420136 [1,1,0,0,0,0|1,0,0]=3 566 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N E107204 [1,1,0,0,0,0|1,0,0]=3 567 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N E107205 [1,1,0,0,0,0|1,0,0]=3 568 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N E427010 [1,1,0,0,0,0|1,0,0]=3 569 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C100456 [1,1,0,0,0,0|0,0,0]=2 570 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C128522 [1,1,0,0,0,0|0,0,0]=2 571 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C128525 [1,1,0,0,0,0|0,0,0]=2 572 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C128526 [1,1,0,0,0,0|0,0,0]=2 573 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C163049 [1,1,0,0,0,0|0,0,0]=2 574 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O E105141 [1,1,0,0,0,0|0,0,0]=2 575 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O E105142 [1,1,0,0,0,0|0,0,0]=2 576 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O E105144 [1,1,0,0,0,0|0,0,0]=2 577 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O E420899 [1,1,0,0,0,0|0,0,0]=2 578 B12R1.16 CCOC(=O)C1=CC=C(C=C1)[O-] S303517 [1,1,0,0,0,0|0,0,1]=3 579 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Br B181171 [1,1,0,0,0,0|2,0,0]=4 580 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C E175747 [1,1,0,0,0,0|1,0,0]=3 581 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl E119969 [1,1,0,0,0,0|2,0,0]=4 582 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N E170125 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.16 CCOC(=O)C1=CN=C(N=C1)C E175727 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 H182312 [1,1,0,0,0,0|1,0,1]=4 585 B12R1.20 CC(C(=O)C1=CC=C(C=C1)Br)Br D124677 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Br B136567 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Cl C354254 [1,1,0,0,0,0|2,0,0]=4 588 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Br B184768 [1,1,0,0,0,0|2,0,0]=4 589 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)F F183280 [1,1,0,0,0,0|2,0,0]=4 590 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br N182286 [1,1,0,0,0,0|2,0,0]=4 591 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O C124498 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.367 C1=CC(=C(C=C1C(=O)NO)O)O D331612 [1,1,0,0,0,0|2,0,0]=4 593 B12R1.367 CC1=C(C=C(C=C1)C(=O)NC)N A479169 [1,1,0,0,0,0|1,0,0]=3 594 B12R1.367 CC1=C(C=C(C=C1)C(=O)NN)C D589098 [1,1,0,0,0,0|2,0,0]=4 595 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Br M158178 [1,1,0,0,0,0|0,0,0]=2 596 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)C M184192 [1,1,0,0,0,0|0,0,0]=2 597 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl M137275 [1,1,0,0,0,0|0,0,0]=2 598 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I M123944 [1,1,0,0,0,0|0,0,0]=2 599 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)N M123717 [1,1,0,0,0,0|0,0,0]=2 600 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)O M183983 [1,1,0,0,0,0|0,0,0]=2 601 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)Br M131991 [1,1,0,0,0,0|1,0,0]=3 602 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)F M182232 [1,1,0,0,0,0|1,0,0]=3 603 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)I M138980 [1,1,0,0,0,0|1,0,0]=3 604 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)N M120088 [1,1,0,0,0,0|1,0,0]=3 605 B12R1.367 CC1=CC(=NC=C1Br)C(=O)OC B187716 [1,1,0,0,0,0|2,0,0]=4 606 B12R1.367 CC1=NC=C(N=C1Br)C(=O)OC M586476 [1,1,0,0,0,0|2,0,0]=4 607 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl D123482 [1,1,0,0,0,0|2,0,0]=4 608 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F D353579 [1,1,0,0,0,0|2,0,0]=4 609 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O D353594 [1,1,0,0,0,0|1,0,0]=3 610 B12R1.367 CN1C=C(C=CC1=O)C(=O)OC P136688 [1,1,0,0,0,0|1,0,1]=4 611 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)Cl M158206 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)F M186951 [1,1,0,0,0,0|1,0,0]=3 613 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)N M184633 [1,1,0,0,0,0|1,0,0]=3 614 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)O M137981 [1,1,0,0,0,0|1,0,0]=3 615 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Br M492116 [1,1,0,0,0,0|1,0,0]=3 616 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)I M588893 [1,1,0,0,0,0|1,0,0]=3 617 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)N A135510 [1,1,0,0,0,0|1,0,0]=3 618 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)Br M186785 [1,1,0,0,0,0|1,0,0]=3 619 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)Cl M183040 [1,1,0,0,0,0|1,0,0]=3 620 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F M133405 [1,1,0,0,0,0|1,0,0]=3 621 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)N M184067 [1,1,0,0,0,0|1,0,0]=3 622 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)O M158794 [1,1,0,0,0,0|1,0,0]=3 623 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)Br M138554 [1,1,0,0,0,0|1,0,0]=3 624 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)F M165526 [1,1,0,0,0,0|1,0,0]=3 625 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)O M181795 [1,1,0,0,0,0|1,0,0]=3 626 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br M137986 [1,1,0,0,0,0|1,0,0]=3 627 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Cl M137062 [1,1,0,0,0,0|1,0,0]=3 628 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)F M182306 [1,1,0,0,0,0|1,0,0]=3 629 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)N M122710 [1,1,0,0,0,0|1,0,0]=3 630 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O M185711 [1,1,0,0,0,0|1,0,0]=3 631 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Br M138621 [1,1,0,0,0,0|0,0,0]=2 632 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Cl M123942 [1,1,0,0,0,0|0,0,0]=2 633 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)I M122562 [1,1,0,0,0,0|0,0,0]=2 634 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N M343179 [1,1,0,0,0,0|0,0,0]=2 635 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)O D137522 [1,1,0,0,0,0|0,0,0]=2 636 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Cl M185220 [1,1,0,0,0,0|2,0,0]=4 637 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)I M182741 [1,1,0,0,0,0|2,0,0]=4 638 B12R1.367 COC(=O)C1=CNC(=O)C(=C1)Br M184162 [1,1,0,0,0,0|1,0,1]=4 639 B12R1.367 COC(=O)C1=NC(=C(C=C1)Br)Cl M586633 [1,1,0,0,0,0|2,0,0]=4 640 B12R1.367 COC(=O)C1=NC(=C(C=C1)F)Br M586605 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN D155347 [1,1,0,0,0,0|2,0,0]=4 642 B12R1.1703 CC1=C(C=CC(=C1)Br)C(=O)OC M616599 [1,1,0,0,0,0|1,0,0]=3 643 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC M587667 [1,1,0,0,0,0|1,0,0]=3 644 B12R1.1703 CC1=C(C=CC(=C1)I)C(=O)OC M189428 [1,1,0,0,0,0|1,0,0]=3 645 B12R1.1703 CC1=C(C=CC(=C1)O)C(=O)OC M304038 [1,1,0,0,0,0|0,0,0]=2 646 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)N M182309 [1,1,0,0,0,0|0,0,0]=2 647 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O M140196 [1,1,0,0,0,0|0,0,0]=2 648 B12R1.1703 CC1=CC(=CN=C1C(=O)OC)Br M182766 [1,1,0,0,0,0|2,0,0]=4 649 B12R1.1703 CC1=CC(=NC=C1C(=O)OC)Cl M586678 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl D154244 [1,1,0,0,0,0|2,0,0]=4 651 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)F)F D136496 [1,1,0,0,0,0|2,0,0]=4 652 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)O)O D154234 [1,1,0,0,0,0|1,0,0]=3 653 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Br)F B152533 [1,1,0,0,0,0|2,0,0]=4 654 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl M404664 [1,1,0,0,0,0|1,0,0]=3 655 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)F M182210 [1,1,0,0,0,0|1,0,0]=3 656 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N M181265 [1,1,0,0,0,0|1,0,0]=3 657 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O M168776 [1,1,0,0,0,0|1,0,0]=3 658 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Br M404719 [1,1,0,0,0,0|1,0,0]=3 659 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl M158020 [1,1,0,0,0,0|1,0,0]=3 660 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)I M587764 [1,1,0,0,0,0|1,0,0]=3 661 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N M134073 [1,1,0,0,0,0|1,0,0]=3 662 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)O M182977 [1,1,0,0,0,0|1,0,0]=3 663 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Br M185835 [1,1,0,0,0,0|1,0,0]=3 664 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl M136912 [1,1,0,0,0,0|1,0,0]=3 665 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F M158805 [1,1,0,0,0,0|1,0,0]=3 666 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)N M183119 [1,1,0,0,0,0|1,0,0]=3 667 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)O M137586 [1,1,0,0,0,0|1,0,0]=3 668 B12R1.1703 COC(=O)C1=C(C=C(C=C1)I)F M302730 [1,1,0,0,0,0|1,0,0]=3 669 B12R1.1703 COC(=O)C1=C(C=C(C=C1)I)O M158025 [1,1,0,0,0,0|1,0,0]=3 670 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl M184630 [1,1,0,0,0,0|1,0,0]=3 671 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)F M186340 [1,1,0,0,0,0|1,0,0]=3 672 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O M135513 [1,1,0,0,0,0|1,0,0]=3 673 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl M189470 [1,1,0,0,0,0|0,0,0]=2 674 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)F F578860 [1,1,0,0,0,0|0,0,0]=2 675 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O M117626 [1,1,0,0,0,0|0,0,0]=2 676 B12R1.1703 COC(=O)C1=C(C=C(C=N1)Br)Cl M172639 [1,1,0,0,0,0|2,0,0]=4 677 B12R1.1703 COC(=O)C1=C(C=C(C=N1)Br)N M171901 [1,1,0,0,0,0|2,0,0]=4 678 B12R1.1703 COC(=O)C1=C(C=C(C=N1)F)N M586257 [1,1,0,0,0,0|2,0,0]=4 679 B12R1.1703 COC(=O)C1=C(N=C(C=C1)Br)Cl M166091 [1,1,0,0,0,0|2,0,0]=4 680 B12R1.1703 COC(=O)C1=C(N=C(C=C1)Cl)Cl M158732 [1,1,0,0,0,0|2,0,0]=4 681 B12R1.1703 COC(=O)C1=CN=C(C=C1Cl)Cl M177087 [1,1,0,0,0,0|2,0,0]=4 682 B12R1.1703 COC(=O)C1=CN=C(C=C1N)Cl M586811 [1,1,0,0,0,0|2,0,0]=4 683 B12R1.4 CC(=O)CC1=CC=C(C=C1)OC P102234 [1,1,0,0,0,0|1,0,1]=4 684 B12R1.4 CC(=O)NC1=CC=C(C=C1)OC P160200 [1,1,0,0,0,0|2,0,0]=4 685 B12R1.71 CNCCC1=CC=C(C=C1)OC N159070 [1,1,0,0,0,0|1,0,1]=4 686 B12R1.71 COC1=CC=C(C=C1)C=CC#N M158789 [1,1,0,0,0,0|1,0,1]=4 687 B12R1.71 COC1=CC=C(C=C1)C=CC=O T135720 [1,1,0,0,0,0|1,0,1]=4 688 B12R1.71 COC1=CC=C(C=C1)CCCBr B341751 [1,1,0,0,0,0|1,0,1]=4 689 B12R1.71 COC1=CC=C(C=C1)CCCO M134198 [1,1,0,0,0,0|1,0,1]=4 690 B12R1.71 COC1=CC=C(C=C1)COC=O A302664 [1,1,0,0,0,0|0,0,2]=4 691 B12R1.71 COC1=CC=C(C=C1)OCCN M589303 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.116 CCOC1=CC=C(C=C1)OCC D155736 [1,1,0,0,0,0|2,0,0]=4 693 B12R1.116 COCC1=CC=C(C=C1)COC B153001 [1,1,0,0,0,0|0,0,1]=3 694 B12R1.359 CC(=O)N1C=CC(=C1)C(=O)OC M166808 [0,1,0,0,1,0|2,0,0]=4 695 B14R1.7 CN(C(=O)C1=CC=C(C=C1)OC)OC N404257 [0,1,0,0,0,1|2,0,0]=4 696 B14R1.7 COC1=CC=C(C=C1)C(C(=O)OC)Br M589299 [0,1,0,0,0,1|0,0,0]=2 697 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)OC E156538 [0,1,0,0,0,1|0,0,0]=2 698 B14R1.2879 COC(=O)CC1=CC=C(C=C1)C(=O)O M590464 [0,1,0,0,0,1|2,0,0]=4 699 B14R1.2879 COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] M588615 [0,1,0,0,0,1|2,0,0]=4 700 B14R1.212 COC1=CC=C(C=C1)C(=O)C(F)(F)F T162003 [0,2,0,0,0,0|2,0,0]=4 701 B14R1.1128 B(C1=CC(=C(C=C1)C(=O)OC)Cl)(O)O C404129 [0,2,0,0,0,0|2,0,0]=4 702 B14R1.1128 B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O F120102 [0,2,0,0,0,0|2,0,0]=4 703 B14R1.1128 B(C1=CC(=C(C=C1)C(=O)OC)O)(O)O H586594 [0,2,0,0,0,0|2,0,0]=4 704 B14R1.1128 CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC M158172 [0,2,0,0,0,0|2,0,0]=4 705 B14R1.1128 COC(=O)C1=C(C=C(C=C1)C(=O)O)N M158133 [0,2,0,0,0,0|2,0,0]=4 706 B14R1.1128 COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br M137927 [0,2,0,0,0,0|2,0,0]=4 707 B14R1.1128 COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl M158022 [0,2,0,0,0,0|2,0,0]=4 708 B14R1.1128 COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F M184248 [0,2,0,0,0,0|2,0,0]=4 709 B14R1.1128 COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])O M489789 [0,2,0,0,0,0|2,0,0]=4 710 B14R1.2334 COC(=O)C1=C(C=C(C=C1)C#N)CBr M587563 [0,2,0,0,0,0|2,0,0]=4 711 B14R1.2334 COC1=CC(=C(C=C1)C(=O)OC)CBr M181716 [0,2,0,0,0,0|0,0,0]=2 712 B14R1.2334 COC1=CC(=C(C=C1)C(=O)OC)OC M158710 [0,2,0,0,0,0|0,0,0]=2 713 B14R1.2334 COC1=NC(=C(C=C1)C(=O)OC)OC M194418 [0,2,0,0,0,0|1,0,0]=3 714 B14R1.2334 COC1=NC(=NC=C1C(=O)OC)OC M181720 [0,2,0,0,0,0|2,0,0]=4 715 B14R1.25 CCOC(=O)C1=CC=C(C=C1)N=C=O E169460 [0,2,0,0,0,0|1,0,1]=4 716 B14R1.25 CCOC1=CC=C(C=C1)C(=O)OCC E136135 [0,2,0,0,0,0|0,0,0]=2 717 B14R1.717 CC(C)OC1=CC=C(C=C1)C(=O)OC M157899 [0,2,0,0,0,0|0,0,0]=2 718 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(=O)O M588258 [0,2,0,0,0,0|1,0,1]=4 719 B14R1.718 COC(=O)C1=CC=C(C=C1)C(=O)CBr B345247 [0,2,0,0,0,0|1,0,0]=3 720 B14R1.718 COC(=O)C1=CC=C(C=C1)C(=O)OC D106859 [0,2,0,0,0,0|0,0,0]=2 721 B14R1.718 COC(=O)C1=CC=C(C=C1)C(=O)OC D106860 [0,2,0,0,0,0|0,0,0]=2 722 B14R1.718 COC(=O)C1=CN=C(C=C1)C(=O)OC D187590 [0,2,0,0,0,0|1,0,0]=3 723 B14R1.610 B(C1=CC=C(C=C1)C(=O)NOC)(O)O O187029 [0,2,0,0,0,0|2,0,0]=4 724 B14R1.610 B(C1=CC=C(C=C1)C(=O)OCC)(O)O E101998 [0,2,0,0,0,0|2,0,0]=4 725 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(=O)C E137216 [0,2,0,0,0,0|1,0,0]=3 726 B14R1.610 CCOC(=O)C1=CC=C(C=C1)N(C)C E130033 [0,2,0,0,0,0|1,0,0]=3 727 B14R1.610 CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] E111835 [0,2,0,0,0,0|2,0,0]=4 728 B14R1.719 CC(C)(C)C1=CC=C(C=C1)C(=O)OC M115328 [0,2,0,0,0,0|1,0,0]=3 729 B14R1.719 CCC(=O)C1=CC=C(C=C1)C(C)(C)C B136722 [0,2,0,0,0,0|2,0,0]=4 730 B14R1.719 COC(=O)C1=CC=C(C=C1)C(F)(F)F M120314 [0,2,0,0,0,0|2,0,0]=4 731 B14R1.719 COC(=O)C1=CC=C(C=C1)S(=O)(=O)C M182988 [0,2,0,0,0,0|0,1,0]=3 732 B14R1.719 COC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl M186100 [0,2,0,0,0,0|1,1,0]=4 733 B14R1.747 B(C1=C(C=C(C=C1)C(=O)OC)C)(O)O M191176 [0,2,0,0,0,0|2,0,0]=4 734 B14R1.747 B(C1=C(C=C(C=C1)C(=O)OC)Cl)(O)O M185502 [0,2,0,0,0,0|2,0,0]=4 735 B14R1.747 B(C1=C(C=C(C=C1)C(=O)OC)F)(O)O F139059 [0,2,0,0,0,0|2,0,0]=4 736 B14R1.747 B(C1=C(C=C(C=C1)C(=O)OC)N)(O)O A184145 [0,2,0,0,0,0|2,0,0]=4 737 B14R1.747 CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-] M158182 [0,2,0,0,0,0|2,0,0]=4 738 B14R1.747 COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F M182305 [0,2,0,0,0,0|2,0,0]=4 739 B14R1.747 COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O M122443 [0,2,0,0,0,0|2,0,0]=4 740 B14R1.1864 COC1=C(C=C(C=C1)C(=O)CBr)OC B587795 [0,2,0,0,0,0|2,0,0]=4 741 B14R1.1864 COC1=C(C=C(C=C1)C(=O)OC)C#N M123943 [0,2,0,0,0,0|0,0,0]=2 742 B14R1.1864 COC1=C(C=C(C=C1)C(=O)OC)OC M101637 [0,2,0,0,0,0|0,0,0]=2 743 B14R1.1864 COC1=C(C=CC(=C1)C(=O)OC)CBr M158715 [0,2,0,0,0,0|2,0,0]=4 744 B14R1.12512 COC1=C(C=C(C=C1O)C(=O)OC)O M158098 [0,2,0,0,0,0|0,0,0]=2 745 B12R1.24 CC1=C(C(=CC=C1)C(=O)OC)Br M131723 [0,0,1,1,0,0|2,0,0]=4 746 B12R1.24 CC1=C(C(=CC=C1)C(=O)OC)N M158179 [0,0,1,1,0,0|2,0,0]=4 747 B12R1.24 CC1=C(C(=CC=C1)C(=O)OC)O M168843 [0,0,1,1,0,0|2,0,0]=4 748 B12R1.78 COC1=CC(=C(C=C1)C=O)OC D155985 [0,0,1,1,0,0|2,0,0]=4 749 B12R1.78 COC1=NC(=C(C=C1)C=O)OC D185402 [0,0,1,1,0,0|2,0,0]=4 750 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O H139103 [1,0,0,1,0,0|2,0,0]=4 751 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)N1 B138992 [1,0,0,1,0,0|2,0,0]=4 752 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 B133970 [1,0,0,1,0,0|1,0,0]=3 753 B12R2.612 C1C2=C(C=CC(=C2)Cl)C(=O)N1 C194866 [1,0,0,1,0,0|2,0,0]=4 754 B12R2.612 C1C2=C(C=CC(=C2)Cl)C(=O)O1 C185101 [1,0,0,1,0,0|1,0,0]=3 755 B12R2.612 C1C2=C(C=CC(=C2)F)C(=O)N1 F586841 [1,0,0,1,0,0|2,0,0]=4 756 B12R2.612 C1C2=C(C=CC(=C2)F)C(=O)O1 F186112 [1,0,0,1,0,0|1,0,0]=3 757 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 A175776 [1,0,0,1,0,0|2,0,0]=4 758 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 A479320 [1,0,0,1,0,0|1,0,0]=3 759 B12R2.612 C1C2=C(C=CC(=C2)O)C(=O)O1 H589460 [1,0,0,1,0,0|0,0,0]=2 760 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)Br B103113 [1,0,0,1,0,0|2,0,0]=4 761 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)Cl C107757 [1,0,0,1,0,0|2,0,0]=4 762 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F F123321 [1,0,0,1,0,0|2,0,0]=4 763 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I I342342 [1,0,0,1,0,0|2,0,0]=4 764 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)O H103118 [1,0,0,1,0,0|1,0,0]=3 765 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M123329 [1,0,0,1,0,0|1,0,0]=3 766 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M194482 [1,0,0,1,0,0|2,0,0]=4 767 B12R2.44 COC1=CC2=C(C=C1)C=CN2 M123429 [1,0,0,1,0,0|2,0,0]=4 768 B14R2.2332 COC1=CC2=C(CC(=O)CC2)C=C1 M119739 [0,0,0,1,0,1|1,0,0]=3 769 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O M123093 [0,0,0,1,0,1|2,0,0]=4 770 B14R2.329 COC1=CC=C(C=C1)C(=O)C2CC2 C472600 [0,1,0,1,0,0|1,0,0]=3 771 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 M157922 [0,1,0,1,0,0|2,0,0]=4 772 B14R2.1801 COC1=CC2=C(C=C1)C(=O)C=CN2 H120275 [0,1,0,1,0,0|1,0,1]=4 773 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCC2 M119777 [0,1,0,1,0,0|1,0,0]=3 774 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCO2 M303696 [0,1,0,1,0,0|1,0,0]=3 775 B14R2.966 CCC(=O)C1=CC2=C(C=C1)OCO2 M137155 [0,1,0,1,0,0|1,0,0]=3 776 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=CN2 I124845 [0,1,0,1,0,0|1,0,1]=4 777 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=NN2 I133251 [0,1,0,1,0,0|2,0,0]=4 778 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 M158017 [0,1,0,1,0,0|1,0,1]=4 779 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 M181077 [0,1,0,1,0,0|1,0,1]=4 780 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 M158570 [0,1,0,1,0,0|1,0,1]=4 781 B14R2.966 COC(=O)C1=CC2=C(C=C1)NCC2 M181438 [0,1,0,1,0,0|1,0,0]=3 782 B14R2.966 COC(=O)C1=CC2=C(C=C1)NN=C2 M170497 [0,1,0,1,0,0|1,0,1]=4 783 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 M188302 [0,1,0,1,0,0|0,0,1]=3 784 B14R2.966 COC(=O)C1=CC2=NNN=C2C=C1 M179487 [0,1,0,1,0,0|2,0,0]=4 785 B14R2.966 COC(=O)C1=CC2=NSN=C2C=C1 M300031 [0,1,0,1,0,0|1,1,0]=4 786 B14R2.1812 COC1=CC2=C(C=C1)C(=O)OC2=O M183418 [0,1,0,1,0,0|0,0,1]=3 787 B14R2.5719 C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1 C184704 [0,1,0,1,0,0|2,0,0]=4 788 B14R2.1802 COC1=C(C2=C(C=C1)C(=O)CC2)Cl C195987 [0,1,0,1,0,0|1,0,0]=3 789 B10R0.46 COC(=O)CC(=C)C(=O)OC D154394 [0,0,1,0,1,0|1,0,1]=4 790 B10R1.14 CC1=CC(=NN1)C(=O)OC M138556 [1,0,0,0,1,0|2,0,0]=4 791 B10R1.14 CC1=CC(=NO1)C(=O)OC M106702 [1,0,0,0,1,0|2,0,0]=4 792 B10R1.14 CC1=CC=C(N1)C(=O)OC M586547 [1,0,0,0,1,0|1,0,0]=3 793 B10R1.14 CC1=CC=C(O1)C(=O)OC M192320 [1,0,0,0,1,0|1,0,0]=3 794 B10R1.14 CC1=CC=C(S1)C(=O)OC M182448 [1,0,0,0,1,0|1,0,0]=3 795 B10R1.14 CC1=CSC(=N1)C(=O)OC M587284 [1,0,0,0,1,0|2,0,0]=4 796 B10R1.14 CCC(=O)C1=CC=C(O1)C M158535 [1,0,0,0,1,0|2,0,0]=4 797 B10R1.14 CN1C=C(N=C1)C(=O)OC M174960 [1,0,0,0,1,0|2,0,0]=4 798 B10R1.14 COC(=O)C1=CC(=CN1)Br M139460 [1,0,0,0,1,0|2,0,0]=4 799 B10R1.14 COC(=O)C1=CC(=CS1)Br M176961 [1,0,0,0,1,0|2,0,0]=4 800 B10R1.14 COC(=O)C1=CC(=CS1)N A187877 [1,0,0,0,1,0|2,0,0]=4 801 B10R1.14 COC(=O)C1=CC=C(N1)Cl M587682 [1,0,0,0,1,0|2,0,0]=4 802 B10R1.14 COC(=O)C1=CC=C(O1)Br M137548 [1,0,0,0,1,0|2,0,0]=4 803 B10R1.14 COC(=O)C1=CC=C(S1)Br M176962 [1,0,0,0,1,0|2,0,0]=4 804 B10R1.14 COC(=O)C1=CC=C(S1)Cl M303523 [1,0,0,0,1,0|2,0,0]=4 805 B10R1.14 COC(=O)C1=CSC(=C1)Br M195606 [1,0,0,0,1,0|2,0,0]=4 806 B10R1.14 COC(=O)C1=CSC(=C1)Cl M176259 [1,0,0,0,1,0|2,0,0]=4 807 B12R1.49 CC1=CC=C(C=C1)CC(=O)OC M158718 [1,0,0,0,0,1|0,0,0]=2 808 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O N491195 [1,0,0,0,0,1|1,0,0]=3 809 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br M176451 [1,0,0,0,0,1|1,0,0]=3 810 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl M158186 [1,0,0,0,0,1|1,0,0]=3 811 B12R1.49 COC(=O)CC1=CC=C(C=C1)I M589746 [1,0,0,0,0,1|1,0,0]=3 812 B12R1.49 COC(=O)CC1=CC=C(C=C1)O M117442 [1,0,0,0,0,1|0,0,0]=2 813 B12R1.49 COC(=O)CC1=NC=C(C=C1)Br M178211 [1,0,0,0,0,1|2,0,0]=4 814 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC M184135 [0,0,0,0,1,1|1,0,0]=3 815 B12R1.435 CCC1=NC(=CC=C1)C(=O)OC M189455 [0,0,0,0,1,1|2,0,0]=4 816 B12R1.435 COC(=O)C1=CC(=NC=C1)C=O M586778 [0,0,0,0,1,1|2,0,0]=4 817 B12R1.435 COC(=O)C1=CC=CC(=C1)C#C M302153 [0,0,0,0,1,1|1,0,1]=4 818 B12R1.435 COC(=O)C1=CC=CC(=C1)C#N C353029 [0,0,0,0,1,1|2,0,0]=4 819 B12R1.435 COC(=O)C1=CC=CC(=C1)C=O M170769 [0,0,0,0,1,1|2,0,0]=4 820 B12R1.435 COC(=O)C1=CC=CC(=C1)CBr M122545 [0,0,0,0,1,1|2,0,0]=4 821 B12R1.435 COC(=O)C1=CN=CC(=C1)CO M190484 [0,0,0,0,1,1|2,0,0]=4 822 B12R1.435 COC(=O)C1=NC=CC(=C1)CO M192691 [0,0,0,0,1,1|2,0,0]=4 823 B12R1.435 COC1=CC(=NC=C1)C(=O)NN M182353 [0,0,0,0,1,1|2,0,0]=4 824 B12R1.435 COC1=CC(=NC=C1)C(=O)OC M138622 [0,0,0,0,1,1|0,0,0]=2 825 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O M189890 [0,0,0,0,1,1|2,0,0]=4 826 B12R1.435 COC1=CC=CC(=C1)C(=O)CBr M158725 [0,0,0,0,1,1|2,0,0]=4 827 B12R1.435 COC1=CC=CC(=C1)C(=O)NN M158285 [0,0,0,0,1,1|2,0,0]=4 828 B12R1.435 COC1=CC=CC(=N1)C(=O)OC M169135 [0,0,0,0,1,1|1,0,0]=3 829 B12R1.435 COC1=CN=CC(=C1)C(=O)OC M169361 [0,0,0,0,1,1|0,0,0]=2 830 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)C=O E136405 [0,0,0,0,0,2|2,0,0]=4 831 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)CBr M188544 [0,0,0,0,0,2|2,0,0]=4 832 B14R1.5 COC1=CC=C(C=C1)CCC(=O)OC M167615 [0,0,0,0,0,2|0,0,0]=2 833 B14R1.5 COC1=CC=C(C=C1)COC(=O)NN M168184 [0,0,0,0,0,2|2,0,0]=4