0 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.22 N#C[C@H](O)C1=CC=C(Br)C=C1 17476 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 17478 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 O=C=NC1=CC=C(Br)C=C1 23279 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.1 O=C=NC1=CC=C(F)C=C1 4996 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,0,0,0,0,0|1,0,2]=4 49 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,0,0,0,0,0|1,0,2]=4 50 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,0,0,0,0,0|1,0,2]=4 51 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,0,0,0,0,0|0,0,1]=2 54 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,0,0,0,0,0|1,0,1]=3 58 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,0,0,0,0,0|1,0,1]=3 59 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,0,0,0,0,0|1,0,1]=3 70 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,0,0,0,0,0|0,0,1]=2 83 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 6699 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,0,0,0,0,0|1,0,1]=3 102 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,0,0,0,0,0|1,0,1]=3 103 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,0,0,0,0,0|1,0,1]=3 104 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2098 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 24616 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2286 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 4436 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 5422 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 O=[N+]([O-])c1ccc(Br)cc1 27491 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [1,0,0,0,0,0|1,0,1]=3 137 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,0,0,0,0,0|1,0,1]=3 138 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,0,0,0,0,0|1,0,1]=3 139 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,0,0,0,0,0|1,0,1]=3 140 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,0,0,0,0,0|1,0,1]=3 144 B10R1.15 N#CC(N)c1ccccc1 28208 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,0,0,0,0,0|1,0,2]=4 149 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,0,0,0,0,0|1,0,2]=4 150 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,0,0,0,0,0|1,0,2]=4 151 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,0,0,0,0,0|1,0,2]=4 152 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,0,0,0,0,0|2,0,1]=4 153 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [0,1,0,0,0,0|1,0,1]=3 154 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 12160 [0,1,0,0,0,0|1,0,2]=4 158 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 22236 [0,1,0,0,0,0|1,0,2]=4 159 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 19386 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 5380 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 31444 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 20743 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 23753 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 5933 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [0,1,0,0,0,0|2,0,0]=3 170 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 5931 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 23439 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.367 O=CC(=O)C1=CC(Cl)=C(Cl)C=C1 12332 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 12210 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 12166 [0,1,0,0,0,0|2,0,1]=4 178 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 32472 [0,0,0,1,0,0|1,0,2]=4 179 B12R2.612 CC1=CSC2=C1C=CC(Br)=C2 32447 [0,0,0,1,0,0|1,1,1]=4 180 B12R2.612 CC1=CSC2=C1C=CC(Cl)=C2 33021 [0,0,0,1,0,0|1,1,1]=4 181 B12R2.612 CC1NCC2=CC(Br)=CC=C21 11459 [0,0,0,1,0,0|3,0,0]=4 182 B12R2.612 CC1NCC2=CC(Br)=CC=C21 16791 [0,0,0,1,0,0|3,0,0]=4 183 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 7946 [0,0,0,1,0,0|3,0,0]=4 184 B12R2.612 CN1C=CC2=CC(Cl)=CC=C21 16045 [0,0,0,1,0,0|3,0,0]=4 185 B12R2.612 CN1C=CC2=CC(F)=CC=C21 16044 [0,0,0,1,0,0|3,0,0]=4 186 B12R2.612 CN1C=CC2=CC(N)=CC=C21 9381 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 28125 [0,0,0,1,0,0|3,0,0]=4 188 B12R2.612 C[C@H]1NCC2=CC(Br)=CC=C21 11460 [0,0,0,1,0,0|3,0,0]=4 189 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [2,0,0,0,0,0|0,0,2]=4 192 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [2,0,0,0,0,0|1,0,1]=4 193 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [2,0,0,0,0,0|1,0,1]=4 194 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [2,0,0,0,0,0|1,0,1]=4 195 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [2,0,0,0,0,0|1,0,1]=4 196 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [2,0,0,0,0,0|0,0,0]=2 197 B9R1.1 CC1=CC=C(CN)C=C1 10199 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.1 CC1=CC=C(CO)C=N1 27403 [2,0,0,0,0,0|1,0,1]=4 199 B9R1.1 CC1=CC=C(NN)C=C1 4500 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.1 CC1=CN=C(C=O)C=N1 32176 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.1 CCC1=CC=C(C)C=C1 21843 [2,0,0,0,0,0|0,0,0]=2 205 B9R1.1 CCC1=CC=C(I)C=C1 3877 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.1 CCC1=CC=C(N)C=C1 26342 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.1 CCC1=CC=C(O)C=C1 3874 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.1 CCC1=CC=C(S)C=C1 6813 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.1 CCC1=CN=C(C)C=C1 10482 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.1 CCC1=CN=C(C)C=C1 18256 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 CCC1=NC=C(N)C=C1 25855 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.1 CCc1ccc(F)cc1 22752 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 CNC1=CC=C(I)C=C1 28328 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 COC1=CC=C(Br)C=C1 3726 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 COC1=CC=C(C)N=C1 6640 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.1 COC1=CC=C(F)C=C1 3475 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.1 COC1=CC=C(I)C=C1 3911 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.1 COC1=CC=C(N)C=C1 21392 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.1 COC1=CC=C(N)C=C1 36098 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.1 COC1=CC=C(O)C=C1 14584 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.1 COC1=CC=C(O)C=C1 2276 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 COC1=CC=C(S)C=C1 6822 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 COC1=NC=C(C)C=C1 6609 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.1 CSC1=CC=C(C)C=C1 10672 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.1 CSC1=CC=C(F)C=C1 10641 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.1 CSC1=CC=C(I)C=C1 10670 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.1 CSC1=CC=C(N)C=C1 10636 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.1 CSC1=CC=C(O)C=C1 15277 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.1 CSC1=CC=C(S)C=C1 6825 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.1 FC1=CC=C(CS)C=C1 6855 [2,0,0,0,0,0|1,1,0]=4 241 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.1 NC1=CC=C(CO)C=C1 7480 [2,0,0,0,0,0|1,0,1]=4 244 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.1 NCC1=CC=C(F)C=C1 3408 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.1 NCC1=CC=C(F)C=C1 4420 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.1 NCC1=CC=C(I)C=C1 3304 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.1 NCC1=CC=C(N)C=C1 5803 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.1 NCC1=CC=C(O)C=C1 26036 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [2,0,0,0,0,0|1,0,0]=3 253 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [2,0,0,0,0,0|1,0,0]=3 254 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [2,0,0,0,0,0|1,0,1]=4 267 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [2,0,0,0,0,0|1,0,1]=4 268 B9R1.1 OCC1=CC=C(F)C=C1 3487 [2,0,0,0,0,0|1,0,1]=4 269 B9R1.1 OCC1=CC=C(I)C=C1 4081 [2,0,0,0,0,0|1,0,1]=4 270 B9R1.1 OCC1=CC=C(O)C=C1 29320 [2,0,0,0,0,0|1,0,1]=4 271 B9R1.1 OCC1=CC=C(S)C=C1 6879 [2,0,0,0,0,0|1,0,1]=4 272 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [2,0,0,0,0,0|1,1,0]=4 273 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [2,0,0,0,0,0|1,1,0]=4 274 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.8 C=CCC1=CC=CC=C1 29358 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.8 C=CSC1=CC=CC=C1 10778 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.8 CCCC1=CC=CC=C1 10852 [2,0,0,0,0,0|1,0,1]=4 278 B9R1.8 CNCC1=CC=CC=C1 19910 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.8 CNCC1=CC=CC=C1 25218 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.8 CNCC1=CC=CC=C1 5801 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.8 COCC1=CC=CC=C1 15300 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.8 ClCCC1=CC=CC=C1 26674 [2,0,0,0,0,0|1,0,1]=4 283 B9R1.8 NCCc1ccccc1 21077 [2,0,0,0,0,0|1,0,1]=4 284 B9R1.8 NNCC1=CC=CC=C1 29056 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.8 NOCC1=CC=CC=C1 24804 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.8 NOCC1=CC=CC=C1 7095 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.8 ONCC1=CC=CC=C1 25520 [2,0,0,0,0,0|1,0,1]=4 288 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [2,0,0,0,0,0|1,0,1]=4 289 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [2,0,0,0,0,0|1,0,1]=4 290 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [2,0,0,0,0,0|1,0,1]=4 291 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.6 CC(N)C1=CC=CC=C1 21079 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.6 CP(C)C1=CC=CC=C1 6420 [2,0,0,0,0,0|1,0,1]=4 294 B9R1.6 C[C@@H](N)c1ccccc1 6026 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.6 C[C@@H](N)c1ccccc1 6060 [2,0,0,0,0,0|1,0,0]=3 296 B9R1.6 C[C@@H](N)c1ccccc1 9918 [2,0,0,0,0,0|1,0,0]=3 297 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [2,0,0,0,0,0|1,0,1]=4 298 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [2,0,0,0,0,0|1,0,1]=4 299 B9R1.6 C[C@@H](O)c1ccccc1 6851 [2,0,0,0,0,0|0,0,1]=3 300 B9R1.6 C[C@H](N)c1ccccc1 6025 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.6 C[C@H](N)c1ccccc1 6061 [2,0,0,0,0,0|1,0,0]=3 302 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [2,0,0,0,0,0|1,0,1]=4 303 B9R1.6 C[C@H](O)c1ccccc1 6858 [2,0,0,0,0,0|0,0,1]=3 304 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [2,0,0,0,0,0|1,0,1]=4 306 B11R1.1 CC1=CC=C(CSC#N)C=C1 31941 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.1 O=C=NCC1=CC=C(F)C=C1 28902 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 11046 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [1,1,0,0,0,0|0,0,1]=3 323 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 4171 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [1,1,0,0,0,0|0,0,0]=2 343 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.83 CSC1=CC=C(CC#N)C=C1 10715 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [1,1,0,0,0,0|0,0,1]=3 348 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [1,1,0,0,0,0|0,0,2]=4 349 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [1,1,0,0,0,0|0,0,2]=4 350 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [1,1,0,0,0,0|0,0,1]=3 351 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [1,1,0,0,0,0|0,0,1]=3 352 B11R1.3 CC(C)C1=CC=C(NN)C=C1 7533 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [1,1,0,0,0,0|0,0,1]=3 355 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 21650 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [1,1,0,0,0,0|0,0,1]=3 361 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [1,1,0,0,0,0|0,0,1]=3 366 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 10631 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.3 ClCC1=CC=C(C(Cl)Cl)C=C1 31325 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 34552 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 12455 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 7473 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 7476 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 7472 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.3 [C-]#[N+]C1=CC=C([C@@H](C)O)C=C1 14238 [1,1,0,0,0,0|0,0,2]=4 378 B11R1.3 [C-]#[N+]C1=CC=C([C@H](C)O)C=C1 14243 [1,1,0,0,0,0|0,0,2]=4 379 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 12522 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 3974 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 21472 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 6846 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 16914 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 26273 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 44754 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 36092 [1,1,0,0,0,0|0,0,1]=3 387 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 1659 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 10215 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11532 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11533 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 12609 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16860 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16861 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 17362 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 19403 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22148 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22657 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 26313 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 14054 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 15907 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 25606 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 18694 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 35241 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.19 CC1=CN=C(S(C)(=O)=O)C=C1 6580 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 10858 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 10874 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 10873 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 10832 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [1,1,0,0,0,0|0,0,1]=3 410 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 4100 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 29246 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [1,1,0,0,0,0|1,0,1]=4 416 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [1,1,0,0,0,0|1,0,1]=4 417 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [1,1,0,0,0,0|1,0,1]=4 419 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 25810 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [1,1,0,0,0,0|0,0,1]=3 424 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 3089 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 24416 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 3492 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [1,1,0,0,0,0|0,0,1]=3 430 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 3384 [1,1,0,0,0,0|1,0,1]=4 431 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 28245 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [1,1,0,0,0,0|0,0,1]=3 433 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 17446 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 34596 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 3822 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 15208 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 1592 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 28676 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [1,1,0,0,0,0|1,0,1]=4 446 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 3957 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 25919 [1,1,0,0,0,0|0,0,1]=3 449 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 28331 [1,1,0,0,0,0|0,0,1]=3 450 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 35463 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 14022 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 10329 [1,1,0,0,0,0|0,0,1]=3 454 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 1484 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.166 CC(=O)C1=C(Br)C=C(Br)C=C1 29275 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 29258 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 8533 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 28228 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 29261 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.166 CC(=O)C1=C(C)C=C(Br)C=C1 31226 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 3376 [1,1,0,0,0,0|0,0,1]=3 462 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29273 [1,1,0,0,0,0|1,0,1]=4 463 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 24792 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 3265 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 13619 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 4187 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 28238 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 29270 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 24789 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 4207 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 4213 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 24419 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 36301 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 27374 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 19929 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [1,1,0,0,0,0|0,0,1]=3 477 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 29061 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 13252 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 28229 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 3375 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 35906 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 4719 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 5342 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.166 CC1=CC(Br)=C([N+](=O)[O-])C=C1 31562 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.166 CC1=CC(C)=C(C(F)F)C=C1 28468 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 4567 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 4534 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 1395 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 1595 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 30572 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 4952 [1,1,0,0,0,0|1,0,1]=4 493 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 4030 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 25695 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.166 CC1=CC(O)=C([N+](=O)[O-])C=C1 25410 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 18270 [1,1,0,0,0,0|1,0,1]=4 497 B11R1.166 C[C@H](O)C1=C(Cl)C=C(F)C=C1 15575 [1,1,0,0,0,0|1,0,1]=4 498 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 21780 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.12 C\C=C(\C=O)C1=CC=CC=C1 10989 [1,1,0,0,0,0|0,0,1]=3 502 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [1,1,0,0,0,0|0,0,2]=4 503 B11R1.16 C[C@@H](N=C=O)c1ccccc1 8096 [1,1,0,0,0,0|0,0,1]=3 504 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 8097 [1,1,0,0,0,0|0,0,1]=3 505 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 12315 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.23 O=CC(=O)C1=CC(Cl)=CC=C1 12320 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [1,1,0,0,0,0|0,0,2]=4 508 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [1,1,0,0,0,0|0,0,0]=2 509 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [1,1,0,0,0,0|0,0,0]=2 510 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [1,1,0,0,0,0|0,0,0]=2 511 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [1,1,0,0,0,0|1,0,1]=4 520 B13R1.133 CC(NC1=CC=C(Br)C=C1)C(=O)O 35889 [0,1,0,0,0,1|1,0,0]=3 521 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [0,1,0,0,0,1|1,0,0]=3 522 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [0,1,0,0,0,1|1,0,0]=3 523 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O 13613 [0,1,0,0,0,1|1,0,0]=3 524 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [0,1,0,0,0,1|2,0,0]=4 525 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [0,1,0,0,0,1|2,0,0]=4 526 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [0,1,0,0,0,1|2,0,0]=4 527 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [0,1,0,0,0,1|2,0,0]=4 528 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [0,1,0,0,0,1|2,0,0]=4 529 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [0,1,0,0,0,1|2,0,0]=4 530 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [0,1,0,0,0,1|2,0,0]=4 532 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [0,1,0,0,0,1|2,0,0]=4 533 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [0,1,0,0,0,1|2,0,0]=4 534 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [0,1,0,0,0,1|2,0,0]=4 535 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [0,1,0,0,0,1|2,0,0]=4 536 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [0,1,0,0,0,1|2,0,0]=4 537 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] 35571 [0,1,0,0,0,1|2,0,0]=4 538 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [0,1,0,0,0,1|2,0,0]=4 539 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [0,1,0,0,0,1|2,0,0]=4 540 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [0,1,0,0,0,1|2,0,0]=4 541 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [0,1,0,0,0,1|2,0,0]=4 542 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [0,1,0,0,0,1|2,0,0]=4 543 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [0,1,0,0,0,1|2,0,0]=4 544 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [0,1,0,0,0,1|2,0,0]=4 545 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 19256 [0,1,0,0,0,1|2,0,0]=4 546 B13R1.36 CC(C(=O)O)C1=CC=C(CBr)C=C1 26052 [0,2,0,0,0,0|0,0,0]=2 547 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 15953 [0,2,0,0,0,0|1,0,0]=3 548 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 16007 [0,2,0,0,0,0|1,0,0]=3 549 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 16858 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 12346 [0,2,0,0,0,0|1,0,1]=4 551 B13R1.537 CN(C)C1=CC=C(C(=O)C=O)C=C1 12238 [0,2,0,0,0,0|1,0,1]=4 552 B13R1.522 CC(C)(C(=O)O)C1=CC=C(Br)C=C1 14768 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.522 CC(O)(C(=O)O)C1=CC=C(O)C=C1 20595 [0,2,0,0,0,0|1,0,0]=3 554 B13R1.331 COC(OC)C1=CC(Br)=C(C)C=C1 5385 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 13897 [0,2,0,0,0,0|1,0,0]=3 556 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 24070 [0,2,0,0,0,0|1,0,0]=3 557 B13R1.132 CC1=CC=C([C@H](N)CC(=O)O)C=C1 14199 [0,2,0,0,0,0|1,0,0]=3 558 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 14764 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 13896 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 17337 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 17328 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 17305 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 24048 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 20482 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 14200 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(F)C=C1 17300 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 13971 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 24046 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.163 NC(C(=O)O)C1=C(F)C=C(F)C=C1 31496 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.4656 CC1=CC(C)=C(C(=O)C=O)C(C)=C1 12220 [0,2,0,0,0,0|1,0,1]=4 571 B11R2.36 CC1=CC2=C(C=C1)N=CN2 7666 [1,0,0,1,0,0|2,0,0]=4 572 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [1,0,0,1,0,0|2,0,0]=4 573 B11R2.36 CC1=CC2=C(C=C1)OC=N2 8638 [1,0,0,1,0,0|2,0,0]=4 574 B11R2.36 CC1=CC2=C(C=CS2)C=C1 15767 [1,0,0,1,0,0|0,1,1]=4 575 B11R2.36 CC1=CC=C2C=CNC2=C1 7240 [1,0,0,1,0,0|1,0,1]=4 576 B11R2.36 CC1=CC=C2CNCC2=C1 33793 [1,0,0,1,0,0|2,0,0]=4 577 B11R2.36 CC1=CC=C2NC=CC2=C1 7238 [1,0,0,1,0,0|2,0,0]=4 578 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,1,0,0|1,0,1]=4 579 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [1,0,0,1,0,0|1,0,1]=4 580 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [1,0,0,1,0,0|0,1,1]=4 581 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [1,0,0,1,0,0|1,0,0]=3 582 B11R2.1 CC1CNC2=CC=CC=C21 15858 [1,0,0,1,0,0|1,0,1]=4 583 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [1,0,0,1,0,0|2,0,0]=4 584 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [1,0,0,1,0,0|2,0,0]=4 585 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [1,0,0,1,0,0|1,0,1]=4 586 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [1,0,0,1,0,0|1,0,1]=4 587 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [1,0,0,1,0,0|1,0,1]=4 588 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [1,0,0,1,0,0|1,0,1]=4 589 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 13606 [0,0,0,1,0,1|1,0,1]=4 590 B13R2.3028 CC1CC2=CC=C(Cl)C=C2C1=O 35003 [0,0,0,1,0,1|1,0,0]=3 591 B13R2.3028 CC1CC2=CC=C(F)C=C2C1=O 9661 [0,0,0,1,0,1|1,0,0]=3 592 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 5876 [0,0,0,1,0,1|1,0,1]=4 593 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=N2 34753 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.2130 COC1=CC=C2C(=C1)C=CN2C 13866 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.662 CC1=CC=C2C(C=O)=CNC2=C1 7241 [0,1,0,1,0,0|0,0,2]=4 596 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [1,0,0,0,1,0|1,0,1]=4 597 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [1,0,0,0,1,0|1,0,1]=4 598 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [1,0,0,0,1,0|1,0,1]=4