0 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 29728 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 28265 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 33537 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 19304 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 17488 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 13652 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24217 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24218 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 19720 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 14334 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.5 COC(=O)C1=NC=C(C=O)N=C1 34597 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 35347 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 17801 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [0,0,0,0,0,0|2,1,0]=3 20 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 12160 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 22236 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 15747 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 34564 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 36395 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.5 N#Cc1ccc(C(=O)CN)cc1 20059 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 30393 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.3 CCC1=CC=C(B(O)O)C=C1 7884 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 27848 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 21650 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.3 COC1=CC=C(B(O)O)C=C1 15445 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.3 COC1=CC=C(B(O)O)C=C1 1867 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [1,0,0,0,0,0|0,0,0]=1 43 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [1,0,0,0,0,0|0,0,0]=1 44 B11R1.3 COC1=CC=C(C(N)=S)C=C1 13558 [1,0,0,0,0,0|1,1,0]=3 45 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.3 COC1=CN=C(C(=O)O)C=C1 15176 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.3 COC1=CN=C(C(=O)O)C=N1 32117 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.3 COC1=NC=C(B(O)O)C=C1 5047 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.3 COC1=NC=C(C(=O)O)C=C1 15177 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 1207 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.3 CSC1=CC=C(B(O)O)C=C1 9544 [1,0,0,0,0,0|1,1,1]=4 55 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [1,0,0,0,0,0|0,1,0]=2 56 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 10631 [1,0,0,0,0,0|1,1,1]=4 57 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 19745 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 16740 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 16844 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 34552 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7535 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7572 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 6700 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 14778 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [1,0,0,0,0,0|1,0,0]=2 80 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [1,0,0,0,0,0|0,0,0]=1 81 B11R1.22 COC(=O)C1=CC=C(C)N=N1 18664 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [1,0,0,0,0,0|1,0,0]=2 83 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 36193 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [1,0,0,0,0,0|1,0,0]=2 85 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [1,0,0,0,0,0|1,0,0]=2 86 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [1,0,0,0,0,0|1,0,0]=2 87 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [1,0,0,0,0,0|0,0,0]=1 88 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [1,0,0,0,0,0|0,0,0]=1 89 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 14326 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 27820 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.22 COC(=O)C1=CN=C(C)C=C1 13718 [1,0,0,0,0,0|1,0,0]=2 92 B11R1.22 COC(=O)C1=CN=C(C)N=C1 21597 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 13584 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 9777 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.22 COC(=O)C1=CN=C(F)C=C1 10629 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.22 COC(=O)C1=CN=C(N)C=C1 2418 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.22 COC(=O)C1=CN=C(N)N=C1 27978 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.22 COC(=O)C1=CNC(=O)N=C1 34673 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 10589 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 21032 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 21394 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.22 COC(=O)C1=NC=C(N)N=C1 32171 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.22 COC(=O)C1=NC=C(O)N=C1 9107 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.22 COC(=O)C1=NNC(=O)C=C1 19275 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 3743 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 3622 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 3483 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 3885 [1,0,0,0,0,0|2,0,0]=3 113 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [1,0,0,0,0,0|3,0,0]=4 120 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [1,0,0,0,0,0|3,0,0]=4 121 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [1,0,0,0,0,0|2,0,0]=3 127 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [1,0,0,0,0,0|1,0,1]=3 129 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [1,0,0,0,0,0|2,0,1]=4 130 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [1,0,0,0,0,0|2,0,1]=4 131 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [1,0,0,0,0,0|2,0,1]=4 132 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.83 COC1=CC=C(OC#N)C=C1 20087 [1,0,0,0,0,0|3,0,0]=4 134 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [1,0,0,0,0,0|1,0,0]=2 135 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 16858 [0,1,0,0,0,0|0,0,2]=3 136 B13R1.95 COC(=O)C1=C(Br)C=C(C#N)C=C1 30580 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.95 COC(=O)C1=C(Br)C=C(CBr)C=C1 14021 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 30681 [0,1,0,0,0,0|0,0,0]=1 139 B13R1.95 COC(=O)C1=C(C)C=C(C#N)C=C1 30526 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.95 COC(=O)C1=C(C)C=C(OC)C=C1 30625 [0,1,0,0,0,0|0,0,0]=1 141 B13R1.95 COC(=O)C1=C(Cl)C=C(C#N)C=C1 28581 [0,1,0,0,0,0|2,0,0]=3 142 B13R1.95 COC(=O)C1=C(Cl)C=C(C=O)C=C1 30739 [0,1,0,0,0,0|2,0,0]=3 143 B13R1.95 COC(=O)C1=C(F)C=C(C#N)C=C1 28603 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 30583 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.95 COC(=O)C1=C(F)C=C(OC)C=C1 3568 [0,1,0,0,0,0|0,0,0]=1 146 B13R1.95 COC(=O)C1=C(N)C=C(C#N)C=C1 30577 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 30495 [0,1,0,0,0,0|0,0,0]=1 148 B13R1.95 COC1=CC(F)=C(C(=O)CBr)C=C1 31202 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 12346 [0,1,0,0,0,0|2,0,0]=3 150 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 13649 [0,1,0,0,0,0|1,0,1]=3 151 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 30516 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.139 COC(=O)C1=CC=C(N=C=O)C=C1 28900 [0,1,0,0,0,0|1,0,1]=3 153 B13R1.452 CCOC(=O)C1=CN=C(SC)N=C1 14388 [0,1,0,0,0,0|2,1,0]=4 154 B13R1.452 COC1=CC=C(C(=O)CC#N)C=C1 10102 [0,1,0,0,0,0|1,0,1]=3 155 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 31186 [0,1,0,0,0,0|1,0,0]=2 156 B13R1.452 COC1=CC=C([C@H](N)CCO)C=C1 35532 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.537 CCC(=O)C1=CC=C(B(O)O)C=C1 32653 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.537 CN(C)C1=CC=C(C(=O)C=O)C=C1 12238 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.537 CNC(=O)C1=CC=C(B(O)O)C=C1 32649 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.537 COC(=O)C1=CC=C(B(O)O)C=C1 6095 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 4000 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.537 COC(=O)C1=CC=C(C(=O)[O-])C=C1 13264 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 24248 [0,1,0,0,0,0|1,0,0]=2 164 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 21390 [0,1,0,0,0,0|1,0,0]=2 165 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 21391 [0,1,0,0,0,0|1,0,0]=2 166 B13R1.537 COC(=O)C1=CC=C([N+](=O)[O-])C=C1 26389 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.537 COC(=O)C1=CN=C(C(=O)O)C=C1 26496 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.537 COC(=O)c1ccc(C(C)=O)cc1 22273 [0,1,0,0,0,0|1,0,0]=2 169 B13R1.3088 CCC(=O)C1=CC(F)=C(OC)C=C1 31236 [0,1,0,0,0,0|1,0,0]=2 170 B13R1.3088 COC(=O)C1=CC(Br)=C(C#N)C=C1 30655 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.3088 COC(=O)C1=CC(C)=C(C#N)C=C1 28608 [0,1,0,0,0,0|2,0,0]=3 172 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 30666 [0,1,0,0,0,0|2,0,0]=3 173 B13R1.3088 COC(=O)C1=CC(Cl)=C(C#N)C=C1 28582 [0,1,0,0,0,0|2,0,0]=3 174 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=O)C=C1 30588 [0,1,0,0,0,0|2,0,0]=3 175 B13R1.3088 COC(=O)C1=CC(Cl)=C(CBr)C=C1 30523 [0,1,0,0,0,0|2,0,0]=3 176 B13R1.3088 COC(=O)C1=CC(F)=C(C#N)C=C1 14063 [0,1,0,0,0,0|2,0,0]=3 177 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 30589 [0,1,0,0,0,0|2,0,0]=3 178 B13R1.3088 COC(=O)C1=CC(F)=C(CBr)C=C1 30665 [0,1,0,0,0,0|2,0,0]=3 179 B13R1.3088 COC(=O)C1=CC(F)=C(CO)C=C1 30658 [0,1,0,0,0,0|2,0,0]=3 180 B13R1.3088 COC(=O)C1=CC(F)=C(OC)C=C1 3569 [0,1,0,0,0,0|0,0,0]=1 181 B13R1.3088 COC(=O)C1=CC(I)=C(OC)C=C1 30720 [0,1,0,0,0,0|0,0,0]=1 182 B13R1.3088 COC(=O)C1=CC(N)=C(C#N)C=C1 30653 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 2033 [0,1,0,0,0,0|0,0,0]=1 184 B13R1.3088 COC(=O)C1=CC(O)=C(C#N)C=C1 30760 [0,1,0,0,0,0|2,0,0]=3 185 B13R1.3088 COC(=O)C1=CC(O)=C(OC)C=C1 27190 [0,1,0,0,0,0|0,0,0]=1 186 B13R1.3088 COC(=O)C1=CN=C(OC)C(Br)=C1 34471 [0,1,0,0,0,0|1,0,0]=2 187 B13R1.3088 COC(=O)C1=CN=C(OC)C(Cl)=C1 34214 [0,1,0,0,0,0|1,0,0]=2 188 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 34470 [0,1,0,0,0,0|1,0,0]=2 189 B13R1.3088 COC1=C(Br)C=C(C(=O)CBr)C=C1 31203 [0,1,0,0,0,0|2,0,0]=3 190 B11R0.120 C=C(CCC(=O)OC)C(=O)OC 27664 [0,0,1,0,0,0|1,0,2]=4 191 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 18002 [0,0,0,1,0,0|2,0,0]=3 192 B13R2.2130 COC1=CC=C2C(=C1)NN=C2C 32531 [0,0,0,1,0,0|3,0,0]=4 193 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 2031 [0,0,0,1,0,0|1,0,0]=2 194 B13R2.2130 COc1ccc2c(c1)CNC2=O 31624 [0,0,0,1,0,0|1,0,0]=2 195 B13R2.2130 N#CC1=CC=C2C(=O)CCC2=C1 25743 [0,0,0,1,0,0|3,0,0]=4 196 B13R2.2130 O=C1NCC2=CC(CO)=CC=C12 25141 [0,0,0,1,0,0|3,0,0]=4 197 B13R2.2130 O=CC1=CC=C2C(=O)NCC2=C1 25142 [0,0,0,1,0,0|3,0,0]=4 198 B11R1.44 COC(=O)C1=CC(C=O)=CN1 9148 [0,0,0,0,1,0|3,0,0]=4 199 B11R1.44 COC(=O)C1=CC=C(CCl)O1 24261 [0,0,0,0,1,0|3,0,0]=4 200 B11R1.44 COC(=O)C1=CSC(C=O)=C1 7741 [0,0,0,0,1,0|3,0,0]=4 201 B11R1.44 COC(=O)c1ccc(CBr)s1 23906 [0,0,0,0,1,0|3,0,0]=4 202 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 31476 [0,0,0,0,0,1|2,0,0]=3 203 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 31843 [0,0,0,0,0,1|2,0,0]=3 204 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 31845 [0,0,0,0,0,1|2,0,0]=3 205 B13R1.5 COC(=O)Cc1ccc(C#N)cc1 19607 [0,0,0,0,0,1|2,0,0]=3 206 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [2,0,0,0,0,0|0,0,1]=3 208 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [2,0,0,0,0,0|1,0,0]=3 209 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [2,0,0,0,0,0|1,0,1]=4 210 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [2,0,0,0,0,0|0,0,0]=2 211 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [2,0,0,0,0,0|1,0,0]=3 212 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [2,0,0,0,0,0|1,0,1]=4 213 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [2,0,0,0,0,0|1,0,1]=4 214 B10R1.3 COC1=CC=C(CN)C=C1 4428 [2,0,0,0,0,0|1,0,1]=4 215 B10R1.3 COC1=CC=C(CO)C=C1 19100 [2,0,0,0,0,0|0,0,1]=3 216 B10R1.3 COC1=CC=C(CS)C=C1 6839 [2,0,0,0,0,0|0,1,1]=4 217 B10R1.3 COC1=CC=C(NN)C=C1 4498 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.3 COC1=CC=C(SC)C=C1 10655 [2,0,0,0,0,0|0,1,0]=3 219 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [2,0,0,0,0,0|1,0,0]=3 220 B10R1.3 COC1=CN=C(CO)C=C1 34570 [2,0,0,0,0,0|1,0,1]=4 221 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [2,0,0,0,0,0|0,1,0]=3 223 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [2,0,0,0,0,0|0,1,1]=4 224 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [2,0,0,0,0,0|0,0,0]=2 231 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [2,0,0,0,0,0|1,0,0]=3 232 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [2,0,0,0,0,0|1,0,0]=3 234 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [2,0,0,0,0,0|0,0,0]=2 236 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [2,0,0,0,0,0|1,0,0]=3 238 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [2,0,0,0,0,0|1,0,0]=3 240 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [2,0,0,0,0,0|1,0,0]=3 242 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [2,0,0,0,0,0|1,0,1]=4 244 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [2,0,0,0,0,0|1,0,1]=4 245 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [2,0,0,0,0,0|1,0,0]=3 246 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [2,0,0,0,0,0|0,0,0]=2 247 B10R1.13 CC1=CC=C(C(=O)O)N=N1 18650 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [2,0,0,0,0,0|1,0,0]=3 249 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [2,0,0,0,0,0|0,1,0]=3 250 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [2,0,0,0,0,0|1,0,0]=3 252 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [2,0,0,0,0,0|1,0,1]=4 253 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [2,0,0,0,0,0|0,0,2]=4 254 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [2,0,0,0,0,0|1,0,0]=3 255 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.13 CC1=CN=C(C(=O)O)N=C1 35346 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [2,0,0,0,0,0|1,0,0]=3 258 B10R1.13 CC1=NC=C(C(=O)O)C=N1 13290 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [2,0,0,0,0,0|1,0,1]=4 262 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [2,0,0,0,0,0|1,1,0]=4 270 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [2,0,0,0,0,0|1,0,0]=3 271 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [2,0,0,0,0,0|2,0,0]=4 275 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [2,0,0,0,0,0|1,0,0]=3 279 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [2,0,0,0,0,0|1,0,0]=3 280 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [2,0,0,0,0,0|1,0,0]=3 281 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [2,0,0,0,0,0|1,0,0]=3 282 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [2,0,0,0,0,0|0,0,0]=2 283 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [2,0,0,0,0,0|0,1,0]=3 285 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [2,0,0,0,0,0|1,0,0]=3 289 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [2,0,0,0,0,0|1,0,1]=4 296 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [2,0,0,0,0,0|1,0,1]=4 297 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [2,0,0,0,0,0|1,0,1]=4 300 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [2,0,0,0,0,0|1,0,1]=4 301 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [2,0,0,0,0,0|1,0,0]=3 303 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [2,0,0,0,0,0|1,0,0]=3 304 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [2,0,0,0,0,0|1,0,0]=3 305 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [2,0,0,0,0,0|1,0,0]=3 307 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [2,0,0,0,0,0|2,0,0]=4 308 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.15 NNC(=O)c1ccccc1 21535 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [2,0,0,0,0,0|2,0,0]=4 318 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 35317 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [1,1,0,0,0,0|0,0,2]=4 320 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 10828 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 27549 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 28244 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 14420 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 30642 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [1,1,0,0,0,0|0,0,0]=2 326 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [1,1,0,0,0,0|0,0,0]=2 327 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 4133 [1,1,0,0,0,0|1,0,1]=4 328 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 33884 [1,1,0,0,0,0|1,0,1]=4 329 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 29594 [1,1,0,0,0,0|1,0,1]=4 331 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [1,1,0,0,0,0|0,0,0]=2 332 B12R1.48 COC1=C(Cl)C=C([C@H](C)O)C=C1 15581 [1,1,0,0,0,0|0,0,2]=4 333 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 19087 [1,1,0,0,0,0|1,0,1]=4 334 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 1850 [1,1,0,0,0,0|1,0,1]=4 335 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [1,1,0,0,0,0|0,0,0]=2 337 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [1,1,0,0,0,0|0,0,0]=2 338 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 2145 [1,1,0,0,0,0|1,0,1]=4 339 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [1,1,0,0,0,0|0,0,0]=2 340 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 5364 [1,1,0,0,0,0|1,0,1]=4 341 B12R1.48 COC1=C(N)C=C(B(O)O)C=C1 1749 [1,1,0,0,0,0|1,0,1]=4 342 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 11610 [1,1,0,0,0,0|1,0,1]=4 345 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [1,1,0,0,0,0|0,0,0]=2 346 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [1,1,0,0,0,0|0,0,0]=2 348 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 30638 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 4604 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 30636 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 27612 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 30603 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.48 O=CC1=C(F)C=C(C(=O)O)C=C1 30604 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 31199 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 1836 [1,1,0,0,0,0|1,0,1]=4 356 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 10868 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 2686 [1,1,0,0,0,0|0,0,0]=2 358 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 3306 [1,1,0,0,0,0|0,0,0]=2 359 B12R1.113 CCOC1=CC=C([N+](=O)[O-])C=C1 3190 [1,1,0,0,0,0|1,0,1]=4 360 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 32172 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.113 COCC1=CC=C(B(O)O)C=C1 29543 [1,1,0,0,0,0|1,0,1]=4 362 B12R1.113 N#CCC1=CC=C(C(=O)O)C=C1 30607 [1,1,0,0,0,0|1,0,1]=4 363 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 35913 [1,1,0,0,0,0|1,0,1]=4 364 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 30479 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 1734 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 3129 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 3143 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 25951 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 20027 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 33667 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 15338 [1,1,0,0,0,0|0,1,0]=3 372 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 1772 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 26269 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 15437 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.452 CC(=O)C1=C(O)C=C(C#N)C=C1 29274 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.452 CC1=C(C(=O)O)C=CC(C#N)=C1 30565 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.452 CNC1=CC(Cl)=C(C(=O)O)C=C1 24164 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 17209 [1,1,0,0,0,0|0,0,0]=2 379 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 31150 [1,1,0,0,0,0|1,0,1]=4 380 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 30466 [1,1,0,0,0,0|0,0,0]=2 381 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 4149 [1,1,0,0,0,0|1,0,1]=4 382 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 1781 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 14030 [1,1,0,0,0,0|0,0,0]=2 384 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 15367 [1,1,0,0,0,0|1,0,1]=4 385 B12R1.452 COC1=CC(F)=C(C(=O)Cl)C=C1 28648 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 4965 [1,1,0,0,0,0|0,0,0]=2 387 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 2548 [1,1,0,0,0,0|0,0,0]=2 388 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 4139 [1,1,0,0,0,0|1,0,1]=4 389 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 28384 [1,1,0,0,0,0|1,0,1]=4 390 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 11856 [1,1,0,0,0,0|0,0,0]=2 391 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 29252 [1,1,0,0,0,0|0,0,0]=2 392 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 5365 [1,1,0,0,0,0|1,0,1]=4 393 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 18895 [1,1,0,0,0,0|0,0,0]=2 394 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 3271 [1,1,0,0,0,0|0,0,0]=2 395 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 22230 [1,1,0,0,0,0|1,0,1]=4 396 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 15182 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 27964 [1,1,0,0,0,0|1,0,0]=3 398 B12R1.452 N#CC1=CC(Br)=C(C(=O)O)C=C1 30631 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 4603 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 30630 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 27325 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.9 CSS(=O)(=O)C1=CC=C(C)C=C1 26030 [1,1,0,0,0,0|1,1,0]=4 403 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 12072 [1,1,0,0,0,0|1,0,1]=4 404 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 3946 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 15489 [1,1,0,0,0,0|0,0,0]=2 407 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 3705 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 15179 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 3471 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 3886 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 20417 [1,1,0,0,0,0|0,0,0]=2 412 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 27408 [1,1,0,0,0,0|0,0,0]=2 413 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 12417 [1,1,0,0,0,0|2,0,0]=4 414 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 23611 [1,1,0,0,0,0|1,0,1]=4 415 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 12621 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.16 CCOC(=O)C1=NC=C(O)N=C1 30403 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 13267 [1,1,0,0,0,0|2,0,0]=4 418 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 13270 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 13250 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [1,1,0,0,0,0|2,0,0]=4 421 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 35873 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.367 CC1=C(C)C=C(C(=O)CBr)C=C1 31208 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.367 CC1=C(F)C=C(C(=O)CCl)C=C1 29141 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 29293 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 3967 [1,1,0,0,0,0|0,0,0]=2 426 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 18716 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 25997 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 30454 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 3970 [1,1,0,0,0,0|1,0,0]=3 430 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 3710 [1,1,0,0,0,0|1,0,0]=3 431 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 18887 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 2351 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [1,1,0,0,0,0|0,0,0]=2 434 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 10935 [1,1,0,0,0,0|0,0,0]=2 435 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 10804 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 30511 [1,1,0,0,0,0|0,0,0]=2 437 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 30521 [1,1,0,0,0,0|1,0,0]=3 438 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 16655 [1,1,0,0,0,0|0,0,0]=2 439 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 14795 [1,1,0,0,0,0|1,0,0]=3 440 B12R1.367 COC(=O)C1=CC(F)=C(I)C=C1 30688 [1,1,0,0,0,0|1,0,0]=3 441 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 28528 [1,1,0,0,0,0|1,0,0]=3 442 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 30515 [1,1,0,0,0,0|0,0,0]=2 443 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 10432 [1,1,0,0,0,0|1,0,0]=3 444 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 27778 [1,1,0,0,0,0|0,0,0]=2 445 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 16736 [1,1,0,0,0,0|1,0,0]=3 446 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 10930 [1,1,0,0,0,0|0,0,0]=2 447 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 26806 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 10509 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 4610 [1,1,0,0,0,0|1,0,0]=3 450 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 28531 [1,1,0,0,0,0|0,0,0]=2 451 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 30757 [1,1,0,0,0,0|1,0,0]=3 452 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 13647 [1,1,0,0,0,0|0,0,0]=2 453 B12R1.367 COC(=O)C1=CC(O)=C(F)C=C1 3567 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 31767 [1,1,0,0,0,0|1,0,0]=3 455 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 3149 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 34764 [1,1,0,0,0,0|2,0,0]=4 457 B12R1.367 COC(=O)C1=CN=C(Br)C(F)=C1 24635 [1,1,0,0,0,0|2,0,0]=4 458 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 12980 [1,1,0,0,0,0|2,0,0]=4 459 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 24636 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 9472 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 34542 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.367 COC(=O)c1ccc(F)c(N)c1 30508 [1,1,0,0,0,0|1,0,0]=3 463 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 3386 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 16796 [1,1,0,0,0,0|2,0,0]=4 465 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 24408 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 27629 [1,1,0,0,0,0|2,0,0]=4 467 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 27568 [1,1,0,0,0,0|2,0,0]=4 468 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 28779 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 22934 [1,1,0,0,0,0|2,0,0]=4 470 B12R1.1703 CNC(=O)c1ccc(N)cc1F 34919 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 14035 [1,1,0,0,0,0|0,0,0]=2 472 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 28546 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 28558 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 30570 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 34395 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 21350 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 30758 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 13977 [1,1,0,0,0,0|1,0,0]=3 479 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 26459 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=C1 3713 [1,1,0,0,0,0|1,0,0]=3 481 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 18760 [1,1,0,0,0,0|1,0,0]=3 482 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4647 [1,1,0,0,0,0|1,0,0]=3 483 B12R1.1703 COC(=O)C1=C(Cl)N=C(Cl)C=C1 36135 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 18624 [1,1,0,0,0,0|1,0,0]=3 485 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 15678 [1,1,0,0,0,0|1,0,0]=3 486 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 28644 [1,1,0,0,0,0|1,0,0]=3 487 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 28527 [1,1,0,0,0,0|1,0,0]=3 488 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 28639 [1,1,0,0,0,0|0,0,0]=2 489 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 4635 [1,1,0,0,0,0|1,0,0]=3 490 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 30496 [1,1,0,0,0,0|0,0,0]=2 491 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 4643 [1,1,0,0,0,0|1,0,0]=3 492 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 28524 [1,1,0,0,0,0|1,0,0]=3 493 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 30520 [1,1,0,0,0,0|1,0,0]=3 494 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 32352 [1,1,0,0,0,0|1,0,0]=3 495 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 35728 [1,1,0,0,0,0|0,0,0]=2 496 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O 4089 [1,1,0,0,0,0|1,0,0]=3 497 B12R1.1703 COC(=O)C1=CN=C(C)N=C1Cl 34359 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl 12979 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.1703 COC(=O)C1=CN=C(N)C=C1Cl 23577 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O 25858 [1,1,0,0,0,0|1,0,0]=3 501 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C 17156 [1,1,0,0,0,0|2,0,0]=4 502 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl 21385 [1,1,0,0,0,0|2,0,0]=4 503 B12R1.1703 COC(=O)c1ccc(Br)cc1Br 24437 [1,1,0,0,0,0|1,0,0]=3 504 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [1,1,0,0,0,0|1,0,1]=4 505 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [1,1,0,0,0,0|2,0,0]=4 506 B12R1.71 CCNCC1=CC=C(OC)C=C1 26458 [1,1,0,0,0,0|1,0,1]=4 507 B12R1.71 COC1=CC=C(CCCN)C=C1 13994 [1,1,0,0,0,0|1,0,1]=4 508 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [1,1,0,0,0,0|1,0,1]=4 509 B12R1.71 COC1=CC=C(COCCl)C=C1 24122 [1,1,0,0,0,0|0,0,1]=3 510 B12R1.116 COCC1=CC=C(COC)C=C1 9024 [1,1,0,0,0,0|0,0,1]=3 511 B12R1.179 COC(=O)C1=CC=C(CCO)S1 19512 [0,1,0,0,1,0|2,0,0]=4 512 B12R1.608 CCC1=CC(C(=O)OC)=C(N)S1 5228 [0,1,0,0,1,0|2,0,0]=4 513 B14R1.7 COC(=O)C(Br)C1=CC=C(OC)C=C1 34351 [0,1,0,0,0,1|0,0,0]=2 514 B14R1.7 COC1=CC=C(C(=O)N(C)OC)C=C1 13259 [0,1,0,0,0,1|2,0,0]=4 515 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 31854 [0,1,0,0,0,1|2,0,0]=4 516 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 31855 [0,1,0,0,0,1|2,0,0]=4 517 B14R1.954 CCOC(=O)CC1=CC=C(SC)C=C1 15278 [0,1,0,0,0,1|0,1,0]=3 518 B14R1.2879 COC(=O)CC1=CC=C(B(O)O)C=C1 32704 [0,1,0,0,0,1|2,0,0]=4 519 B14R1.2879 COC(=O)NC1=CC=C(B(O)O)C=C1 32648 [0,1,0,0,0,1|2,0,0]=4 520 B14R1.3714 COC(=O)CC1=C(Cl)C=C(OC)C=C1 10960 [0,1,0,0,0,1|0,0,0]=2 521 B14R1.1128 COC(=O)C1=C(Br)C=C([N+](=O)[O-])C=C1 11098 [0,2,0,0,0,0|2,0,0]=4 522 B14R1.1128 COC(=O)C1=C(Cl)C=C(B(O)O)C=C1 29593 [0,2,0,0,0,0|2,0,0]=4 523 B14R1.1128 COC(=O)C1=C(F)C=C(B(O)O)C=C1 17771 [0,2,0,0,0,0|2,0,0]=4 524 B14R1.1128 COC(=O)C1=C(F)C=C([N+](=O)[O-])C=C1 28660 [0,2,0,0,0,0|2,0,0]=4 525 B14R1.1128 COC(=O)C1=C(O)C=C([N+](=O)[O-])C=C1 35291 [0,2,0,0,0,0|2,0,0]=4 526 B14R1.2294 COC(=O)C1=C(C)C=C(OC)C(Br)=C1 28572 [0,2,0,0,0,0|0,0,0]=2 527 B14R1.2316 CCC(=O)C1=C(F)C(F)=C(OC)C=C1 29149 [0,2,0,0,0,0|1,0,0]=3 528 B14R1.2316 COC(=O)C1=C(C)C(Br)=C(OC)C=C1 30554 [0,2,0,0,0,0|0,0,0]=2 529 B14R1.2316 COC(=O)C1=C(F)C(F)=C(C#N)C=C1 30748 [0,2,0,0,0,0|2,0,0]=4 530 B14R1.2334 COC(=O)C1=C(CBr)C=C(C#N)C=C1 30501 [0,2,0,0,0,0|2,0,0]=4 531 B14R1.2334 COC(=O)C1=C(CBr)C=C(OC)C=C1 30616 [0,2,0,0,0,0|0,0,0]=2 532 B14R1.2334 COC(=O)C1=C(OC)C=C(C#N)C=C1 30692 [0,2,0,0,0,0|2,0,0]=4 533 B14R1.2334 COC(=O)C1=C(OC)C=C(CBr)C=C1 30524 [0,2,0,0,0,0|2,0,0]=4 534 B14R1.2334 COC1=CC(OC)=C(C(=O)CBr)C=C1 13433 [0,2,0,0,0,0|2,0,0]=4 535 B14R1.7234 CCOC(=O)C1=C(Br)C=C(OC)C=C1 17210 [0,2,0,0,0,0|0,0,0]=2 536 B14R1.65 CCCOC1=CC=C(C(=O)C=O)C=C1 12355 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.65 COC(=O)C1=CC=C(C#CCO)C=C1 32107 [0,2,0,0,0,0|1,0,0]=3 538 B14R1.717 CC(C)OC1=CC=C(C(=O)C=O)C=C1 12349 [0,2,0,0,0,0|2,0,0]=4 539 B14R1.717 COC(=O)C1=CC=C(CC(=O)O)C=C1 27266 [0,2,0,0,0,0|1,0,1]=4 540 B14R1.717 COC(=O)C1=CC=C(OC(=O)Cl)C=C1 28973 [0,2,0,0,0,0|0,0,1]=3 541 B14R1.717 O=C(CBr)C1=CC=C(OC(F)F)C=C1 33818 [0,2,0,0,0,0|2,0,0]=4 542 B14R1.718 COC(=O)C1=CC=C(B(O)OF)C=C1 17434 [0,2,0,0,0,0|1,0,0]=3 543 B14R1.718 COC(=O)C1=CC=C(C(=O)CBr)C=C1 35144 [0,2,0,0,0,0|1,0,0]=3 544 B14R1.718 COC(=O)C1=CC=C(C(=O)OC)C=C1 23835 [0,2,0,0,0,0|0,0,0]=2 545 B14R1.718 COC(=O)C1=CN=C(C(=O)OC)C=C1 27182 [0,2,0,0,0,0|1,0,0]=3 546 B14R1.610 CCOC(=O)C1=CC=C(B(O)O)C=C1 5178 [0,2,0,0,0,0|2,0,0]=4 547 B14R1.610 CCOC(=O)C1=CC=C(C(C)=O)C=C1 18162 [0,2,0,0,0,0|1,0,0]=3 548 B14R1.610 CCOC(=O)C1=CC=C(N(C)C)C=C1 20906 [0,2,0,0,0,0|1,0,0]=3 549 B14R1.628 CCOC(=O)C1=CC(Br)=C(C#N)C=C1 28549 [0,2,0,0,0,0|2,0,0]=4 550 B14R1.628 CCOC(=O)C1=CC(Cl)=C(C=O)C=C1 30609 [0,2,0,0,0,0|2,0,0]=4 551 B14R1.719 COC(=O)C1=CC=C(C(F)(F)F)C=C1 14120 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.719 COC(=O)C1=CC=C(S(=O)(=O)Cl)C=C1 23834 [0,2,0,0,0,0|1,1,0]=4 553 B14R1.719 COC(=O)C1=CC=C(S(C)(=O)=O)C=C1 24140 [0,2,0,0,0,0|0,1,0]=3 554 B14R1.719 COC(=O)C1=NC=C(S(C)(=O)=O)C=C1 18867 [0,2,0,0,0,0|1,1,0]=4 555 B14R1.747 COC(=O)C1=CC(C)=C([N+](=O)[O-])C=C1 2350 [0,2,0,0,0,0|2,0,0]=4 556 B14R1.747 COC(=O)C1=CC(Cl)=C(B(O)O)C=C1 29574 [0,2,0,0,0,0|2,0,0]=4 557 B14R1.747 COC(=O)C1=CC(F)=C([N+](=O)[O-])C=C1 15965 [0,2,0,0,0,0|2,0,0]=4 558 B14R1.747 COC(=O)C1=CC(N)=C(B(O)O)C=C1 26503 [0,2,0,0,0,0|2,0,0]=4 559 B14R1.747 COC(=O)C1=CC(N)=C([N+](=O)[O-])C=C1 28535 [0,2,0,0,0,0|2,0,0]=4 560 B14R1.747 COC(=O)C1=CC(O)=C([N+](=O)[O-])C=C1 20121 [0,2,0,0,0,0|2,0,0]=4 561 B14R1.1864 COC(=O)C1=CC(C#N)=C(OC)C=C1 30512 [0,2,0,0,0,0|0,0,0]=2 562 B14R1.1864 COC(=O)C1=CC(OC)=C(C=O)C=C1 22929 [0,2,0,0,0,0|2,0,0]=4 563 B14R1.1864 COC(=O)C1=CC(OC)=C(CBr)C=C1 2159 [0,2,0,0,0,0|2,0,0]=4 564 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 13009 [0,2,0,0,0,0|0,0,0]=2 565 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 12147 [0,2,0,0,0,0|2,0,0]=4 566 B14R1.12512 CCC(=O)C1=CC(F)=C(OC)C(F)=C1 4225 [0,2,0,0,0,0|1,0,0]=3 567 B14R1.12512 COC(=O)C1=CC(Cl)=C(C=O)C(Cl)=C1 30715 [0,2,0,0,0,0|2,0,0]=4 568 B14R1.12512 COC(=O)C1=CC(Cl)=C(CBr)C(Cl)=C1 30721 [0,2,0,0,0,0|2,0,0]=4 569 B14R1.12512 COC(=O)C1=CC(Cl)=C(OC)C(Cl)=C1 22881 [0,2,0,0,0,0|0,0,0]=2 570 B14R1.12512 COC(=O)C1=CC(F)=C(C=O)C(F)=C1 30742 [0,2,0,0,0,0|2,0,0]=4 571 B14R1.12512 COC(=O)C1=CC(F)=C(CBr)C(F)=C1 30747 [0,2,0,0,0,0|2,0,0]=4 572 B14R1.12512 COC(=O)c1cc(F)c(CCl)c(F)c1 30548 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 3966 [0,0,1,1,0,0|2,0,0]=4 574 B12R1.24 COC(=O)C1=C(C)C(C)=CC=C1 30575 [0,0,1,1,0,0|1,0,1]=4 575 B12R1.24 COC(=O)C1=C(Cl)C(C)=CC=C1 30754 [0,0,1,1,0,0|2,0,0]=4 576 B12R1.24 COC(=O)C1=C(F)C(C)=CC=C1 25286 [0,0,1,1,0,0|2,0,0]=4 577 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 10929 [0,0,1,1,0,0|2,0,0]=4 578 B12R1.24 COC(=O)C1=CC=CC(C)=C1O 16431 [0,0,1,1,0,0|2,0,0]=4 579 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 8220 [0,0,1,1,0,0|2,0,0]=4 580 B12R1.78 COC1=CC=C(C=O)C(OC)=N1 5105 [0,0,1,1,0,0|2,0,0]=4 581 B12R2.1384 O=C(O)C1=CC2=C(C=C1)C=C2 25599 [1,0,0,1,0,0|1,0,1]=4 582 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [1,0,0,1,0,0|1,0,0]=3 583 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [1,0,0,1,0,0|2,0,0]=4 584 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 25145 [1,0,0,1,0,0|2,0,0]=4 585 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 25214 [1,0,0,1,0,0|1,0,0]=3 586 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [1,0,0,1,0,0|2,0,0]=4 587 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [1,0,0,1,0,0|2,0,0]=4 588 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [1,0,0,1,0,0|2,0,0]=4 589 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [1,0,0,1,0,0|2,0,0]=4 590 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [1,0,0,1,0,0|1,0,0]=3 591 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [1,0,0,1,0,0|2,0,0]=4 592 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 35478 [1,0,0,1,0,0|2,0,0]=4 593 B12R2.612 O=C1NCC2=CC(F)=CC=C12 31701 [1,0,0,1,0,0|2,0,0]=4 594 B12R2.612 O=C1NCc2cc(O)ccc21 31625 [1,0,0,1,0,0|1,0,0]=3 595 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 20699 [1,0,0,1,0,0|1,0,0]=3 596 B12R2.44 COC1=CC2=C(C=CO2)C=C1 33547 [1,0,0,1,0,0|2,0,0]=4 597 B12R2.44 COC1=CC2=C(C=CS2)C=C1 27294 [1,0,0,1,0,0|2,0,0]=4 598 B12R2.44 COC1=CC=C2C=CNC2=C1 1701 [1,0,0,1,0,0|2,0,0]=4 599 B12R2.44 COC1=CC=C2CNCC2=C1 17685 [1,0,0,1,0,0|1,0,1]=4 600 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [1,0,0,1,0,0|2,0,0]=4 601 B14R2.2332 COC1=CC=C2CC(=O)CCC2=C1 13703 [0,0,0,1,0,1|1,0,0]=3 602 B14R2.2332 COC1=CC=C2CC(=O)COC2=C1 18378 [0,0,0,1,0,1|2,0,0]=4 603 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 8000 [0,0,0,1,0,1|2,0,0]=4 604 B14R2.152 COC1=CC=C2C(=C1)NN=C2C=O 7805 [0,1,0,1,0,0|2,0,0]=4 605 B14R2.152 COC1=CC=C2C(C=O)=CNC2=C1 7695 [0,1,0,1,0,0|2,0,0]=4 606 B14R2.1801 COC1=CC=C2C(=O)CCCC2=C1 11360 [0,1,0,1,0,0|1,0,0]=3 607 B14R2.1801 COC1=CC=C2C(=O)CCOC2=C1 17929 [0,1,0,1,0,0|1,0,0]=3 608 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 16724 [0,1,0,1,0,0|1,0,1]=4 609 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 18768 [0,1,0,1,0,0|1,0,1]=4 610 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=C2 25331 [0,1,0,1,0,0|0,0,1]=3 611 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 32307 [0,1,0,1,0,0|1,0,1]=4 612 B14R2.966 COC(=O)C1=CC=C2C=CNC2=C1 1696 [0,1,0,1,0,0|1,0,1]=4 613 B14R2.966 COC(=O)C1=CC=C2C=NNC2=C1 18064 [0,1,0,1,0,0|2,0,0]=4 614 B14R2.966 COC(=O)C1=CC=C2CNCC2=C1 27909 [0,1,0,1,0,0|1,0,0]=3 615 B14R2.966 COC(=O)C1=CC=C2NC=CC2=C1 7248 [0,1,0,1,0,0|1,0,1]=4 616 B14R2.966 COC(=O)C1=CC=C2NN=CC2=C1 18042 [0,1,0,1,0,0|1,0,1]=4 617 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 22975 [0,1,0,1,0,0|2,0,0]=4 618 B14R2.966 O=C(CCl)C1=CC2=C(C=C1)OCC2 29196 [0,1,0,1,0,0|2,0,0]=4 619 B14R2.966 O=CC(=O)C1=CC2=C(C=C1)OCO2 12143 [0,1,0,1,0,0|2,0,0]=4 620 B14R2.1812 COC1=CC=C2C(=O)OC(=O)C2=C1 17677 [0,1,0,1,0,0|0,0,1]=3 621 B14R2.1416 COC1=C(Cl)C=C2C(=O)CCC2=C1 17721 [0,1,0,1,0,0|1,0,0]=3 622 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [1,0,0,0,1,0|1,1,0]=4 623 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [1,0,0,0,1,0|2,0,0]=4 624 B10R1.14 COC(=O)C1=CC(O)=NO1 25470 [1,0,0,0,1,0|2,0,0]=4 625 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [1,0,0,0,1,0|2,0,0]=4 626 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [1,0,0,0,1,0|2,0,0]=4 627 B10R1.14 COC(=O)C1=CN(C)C=C1 25789 [1,0,0,0,1,0|1,0,0]=3 628 B10R1.14 COC(=O)C1=CN(C)C=N1 9002 [1,0,0,0,1,0|2,0,0]=4 629 B10R1.14 COC(=O)C1=CN(C)N=C1 23709 [1,0,0,0,1,0|2,0,0]=4 630 B10R1.14 COC(=O)C1=COC(C)=N1 11666 [1,0,0,0,1,0|2,0,0]=4 631 B10R1.14 COC(=O)C1=CSC(Br)=C1 27871 [1,0,0,0,1,0|2,0,0]=4 632 B10R1.14 COC(=O)C1=CSC(Br)=C1 32397 [1,0,0,0,1,0|2,0,0]=4 633 B10R1.14 COC(=O)C1=NC(C)=CS1 17196 [1,0,0,0,1,0|2,0,0]=4 634 B10R1.14 COC(=O)C1=NC=C(C)S1 23005 [1,0,0,0,1,0|2,0,0]=4 635 B10R1.14 COC(=O)C1=NN(C)C=C1 23715 [1,0,0,0,1,0|2,0,0]=4 636 B10R1.14 COC(=O)c1cnc(C)o1 23889 [1,0,0,0,1,0|2,0,0]=4 637 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [1,0,0,0,0,1|1,0,0]=3 638 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [1,0,0,0,0,1|1,0,0]=3 639 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [1,0,0,0,0,1|0,0,0]=2 640 B12R1.49 COC(=O)CC1=CCN(C)C=C1 13711 [1,0,0,0,0,1|1,0,1]=4 641 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 44763 [0,0,0,0,1,1|1,0,1]=4 642 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 21088 [0,0,0,0,1,1|2,0,0]=4 643 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 12631 [0,0,0,0,1,1|2,0,0]=4 644 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 17417 [0,0,0,0,1,1|2,0,0]=4 645 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 30509 [0,0,0,0,1,1|2,0,0]=4 646 B12R1.435 COC(=O)C1=CC(CCl)=CC=C1 19902 [0,0,0,0,1,1|2,0,0]=4 647 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 11178 [0,0,0,0,1,1|2,0,0]=4 648 B12R1.435 COC(=O)C1=CC(CN)=NC=C1 17871 [0,0,0,0,1,1|2,0,0]=4 649 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 16541 [0,0,0,0,1,1|1,0,0]=3 650 B12R1.435 COC(=O)C1=NC(OC)=CN=C1 32123 [0,0,0,0,1,1|1,0,0]=3 651 B12R1.435 COC(=O)c1cc(OC)ccn1 11083 [0,0,0,0,1,1|0,0,0]=2 652 B12R1.435 COC(=O)c1cccc(SCl)c1 28889 [0,0,0,0,1,1|1,1,0]=4 653 B12R1.435 COC1=CC(C(=O)NN)=NC=C1 26935 [0,0,0,0,1,1|2,0,0]=4 654 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 12325 [0,0,0,0,1,1|2,0,0]=4 655 B12R1.435 COc1cccc(C(=O)CN)c1 20065 [0,0,0,0,1,1|2,0,0]=4 656 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 8191 [0,0,0,0,0,2|2,0,0]=4