0 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 26789 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.56 CC(=O)C1=CC(C#N)=C(Br)C=C1 31206 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.56 CC(=O)C1=CC(C#N)=C(F)C=C1 31187 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 28703 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 30639 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.56 CCC1=C(F)C=CC(C(=O)O)=C1 25823 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 28522 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 2536 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 5130 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 2628 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 17400 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 2625 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 29618 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 2668 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 3332 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 33662 [0,0,0,0,0,0|1,0,1]=2 23 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [0,0,0,0,0,0|0,0,0]=0 24 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [0,0,0,0,0,0|1,0,0]=1 25 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 16519 [0,0,0,0,0,0|1,0,1]=2 26 B12R1.56 COC1=CC(C(=O)O)=CNC1=O 26785 [0,0,0,0,0,0|1,0,1]=2 27 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1Cl 24171 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.56 COc1cc([N+](=O)[O-])cc[n+]1[O-] 6597 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.56 COc1cc([N+](=O)[O-])ccc1F 1055 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.56 CSC1=C(Br)C=CC([N+](=O)[O-])=C1 3033 [0,0,0,0,0,0|2,1,1]=4 31 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 30573 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=N1 19879 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.56 N#CC1=C(F)C=CC(C(=O)O)=C1 4601 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 30606 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 16076 [0,0,0,0,0,0|2,0,0]=2 36 B12R1.56 N#CC1=C(O)C=CC([N+](=O)[O-])=C1 27609 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 30476 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 25762 [0,0,0,0,0,0|2,0,0]=2 39 B12R1.56 O=CC1=C(O)C=CC([N+](=O)[O-])=C1 2052 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 4100 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 29246 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 25810 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 3089 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 24416 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 3492 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 3384 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 28245 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 3804 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 12553 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.21 CC1=C(C)C=C(B(O)O)C=C1 1832 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [1,0,0,0,0,0|1,0,0]=2 72 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.21 CC1=C(Cl)C=CC(B(O)O)=C1 29622 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 28594 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 30641 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 2137 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 5146 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 25412 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 1593 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 28676 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [1,0,0,0,0,0|1,0,0]=2 86 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 27627 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 35463 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [1,0,0,0,0,0|1,0,0]=2 90 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 4512 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 33878 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [1,0,0,0,0,0|1,0,0]=2 93 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 1484 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 32616 [1,0,0,0,0,0|1,0,1]=3 95 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [1,0,0,0,0,0|0,0,0]=1 96 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 17549 [1,0,0,0,0,0|1,0,1]=3 97 B11R1.21 CC1=CC(C(=O)O)=CN=C1F 5143 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1O 1113 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 25391 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.21 NC(=O)C1=CC(Cl)=C(Cl)C=C1 3462 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 3459 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 35464 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [1,0,0,0,0,0|1,0,0]=2 110 B11R1.21 NC1=C(O)C=C([N+](=O)[O-])C=C1 8201 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [1,0,0,0,0,0|1,0,0]=2 112 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 14489 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.21 O=C(Cl)C1=CC(Br)=C(F)C=C1 25457 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 26090 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 28589 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 14796 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 9825 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [1,0,0,0,0,0|2,0,0]=3 126 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [1,0,0,0,0,0|1,0,0]=2 127 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [1,0,0,0,0,0|1,0,0]=2 133 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [1,0,0,0,0,0|2,0,0]=3 136 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [1,0,0,0,0,0|1,0,0]=2 138 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [1,0,0,0,0,0|1,0,0]=2 139 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [1,0,0,0,0,0|1,0,0]=2 140 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [1,0,0,0,0,0|1,0,0]=2 141 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [1,0,0,0,0,0|1,0,0]=2 142 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 18329 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [1,0,0,0,0,0|0,0,0]=1 144 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 29226 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=N1 29224 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 29225 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 29097 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 17514 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 24637 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 12922 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 12968 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 29238 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24638 [1,0,0,0,0,0|3,0,0]=4 154 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 21829 [1,0,0,0,0,0|3,0,0]=4 155 B11R1.21 O=C(O)C1=CN=C(F)C(Cl)=C1 36069 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 18429 [1,0,0,0,0,0|3,0,0]=4 157 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 10618 [1,0,0,0,0,0|2,0,0]=3 158 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 18622 [1,0,0,0,0,0|2,0,1]=4 159 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 18908 [1,0,0,0,0,0|2,0,1]=4 160 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 4122 [1,0,0,0,0,0|2,0,1]=4 161 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 31132 [1,0,0,0,0,0|2,0,1]=4 162 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 1475 [1,0,0,0,0,0|2,0,1]=4 163 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 4123 [1,0,0,0,0,0|2,0,1]=4 164 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 22910 [1,0,0,0,0,0|1,0,1]=3 165 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 29592 [1,0,0,0,0,0|2,0,1]=4 166 B11R1.21 OB(O)C1=CC(F)=C(O)C=C1 18807 [1,0,0,0,0,0|2,0,1]=4 167 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 27874 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 32617 [1,0,0,0,0,0|2,0,1]=4 169 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 36178 [1,0,0,0,0,0|1,0,1]=3 170 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 31237 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 23456 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 12649 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.266 CCC1=CC=CC(B(O)O)=C1 28829 [1,0,0,0,0,0|2,0,1]=4 174 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 3092 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.266 COC1=CC(C(=O)O)=CN=C1 27158 [1,0,0,0,0,0|1,0,0]=2 176 B11R1.266 COC1=CC(C(=O)O)=NC=C1 16686 [1,0,0,0,0,0|1,0,0]=2 177 B11R1.266 COC1=CC(C(=O)O)=NC=N1 27976 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.266 COC1=CC(C(C)=O)=NC=C1 33636 [1,0,0,0,0,0|2,0,0]=3 179 B11R1.266 COC1=CC(C(N)=O)=NC=C1 9294 [1,0,0,0,0,0|2,0,0]=3 180 B11R1.266 COC1=CC=CC(B(O)O)=C1 1866 [1,0,0,0,0,0|1,0,1]=3 181 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 35489 [1,0,0,0,0,0|1,0,0]=2 182 B11R1.266 COC1=CC=CC(C(=O)O)=C1 9012 [1,0,0,0,0,0|0,0,0]=1 183 B11R1.266 COC1=CC=CC(C(=O)O)=N1 15165 [1,0,0,0,0,0|1,0,0]=2 184 B11R1.266 COC1=CC=CC(C(=O)O)=N1 17144 [1,0,0,0,0,0|1,0,0]=2 185 B11R1.266 COC1=CC=CC(C(C)=O)=C1 9201 [1,0,0,0,0,0|1,0,0]=2 186 B11R1.266 COC1=CC=CC(C(N)=O)=N1 16543 [1,0,0,0,0,0|2,0,0]=3 187 B11R1.266 COC1=CC=CC([C@@H](C)O)=C1 15587 [1,0,0,0,0,0|1,0,1]=3 188 B11R1.266 COC1=CC=CC([C@H](C)N)=C1 24749 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.266 COC1=CN=CC(B(O)O)=C1 29500 [1,0,0,0,0,0|2,0,1]=4 190 B11R1.266 COC1=CN=CC(C(=O)O)=N1 27952 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.266 COC1=NC=CC(B(O)O)=C1 17079 [1,0,0,0,0,0|2,0,1]=4 192 B11R1.266 COC1=NC=CC(C(=O)O)=C1 9293 [1,0,0,0,0,0|1,0,0]=2 193 B11R1.266 COC1=NC=CC(C(=O)O)=N1 32428 [1,0,0,0,0,0|2,0,0]=3 194 B11R1.266 CSC1=CC([N+](=O)[O-])=CC=C1 8316 [1,0,0,0,0,0|1,1,1]=4 195 B11R1.266 CSC1=CC=CC(B(O)O)=C1 1789 [1,0,0,0,0,0|1,1,1]=4 196 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 10679 [1,0,0,0,0,0|0,1,0]=2 197 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 20970 [1,0,0,0,0,0|0,1,0]=2 198 B11R1.266 CSC1=NC=CC(C(=O)O)=N1 15403 [1,0,0,0,0,0|2,1,0]=4 199 B11R1.266 CSc1cccc(B(O)O)c1 7887 [1,0,0,0,0,0|1,1,1]=4 200 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 32221 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 10466 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 25947 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 14415 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 16448 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 9744 [1,0,0,0,0,0|2,0,0]=3 206 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 7446 [1,0,0,0,0,0|2,0,0]=3 207 B11R1.266 O=CC1=CC=CC(C(=O)O)=C1 30672 [1,0,0,0,0,0|2,0,0]=3 208 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 28101 [1,0,0,0,0,0|1,0,0]=2 209 B11R1.280 CCC1=CC(OC)=C(Cl)C=C1 5280 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 28722 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 30968 [1,0,0,0,0,0|1,0,0]=2 212 B11R1.280 COC1=C(Br)C=CC(CO)=C1 31324 [1,0,0,0,0,0|1,0,1]=3 213 B11R1.280 COC1=C(C)C=CC(C#N)=C1 28758 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.280 COC1=C(C)C=CC(C=O)=C1 2646 [1,0,0,0,0,0|1,0,0]=2 215 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 18681 [1,0,0,0,0,0|2,0,1]=4 216 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 30916 [1,0,0,0,0,0|1,0,0]=2 217 B11R1.280 COC1=C(F)C=CC(C#N)=C1 3501 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.280 COC1=C(F)C=CC(C=O)=C1 1449 [1,0,0,0,0,0|1,0,0]=2 219 B11R1.280 COC1=C(F)C=CC(CBr)=C1 27471 [1,0,0,0,0,0|2,0,1]=4 220 B11R1.280 COC1=C(F)C=CC(CN)=C1 27537 [1,0,0,0,0,0|2,0,1]=4 221 B11R1.280 COC1=C(F)C=CC(CO)=C1 7734 [1,0,0,0,0,0|1,0,1]=3 222 B11R1.280 COC1=C(O)C=CC(C#N)=C1 13112 [1,0,0,0,0,0|1,0,1]=3 223 B11R1.280 COC1=C(O)C=CC(C=O)=C1 25440 [1,0,0,0,0,0|0,0,0]=1 224 B11R1.280 COC1=C(O)C=CC(CN)=C1 7385 [1,0,0,0,0,0|1,0,1]=3 225 B11R1.280 COC1=CC(OC)=C(Br)C=C1 3036 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.280 COC1=CC(OC)=C(Cl)C=C1 3041 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.280 COC1=CC(OC)=C(F)C=C1 28466 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.280 COC1=CC(OC)=C(I)C=C1 3053 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.280 COC1=CC(OC)=C(N)C=C1 16639 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.280 COC1=CC(OC)=C(S)C=C1 6882 [1,0,0,0,0,0|2,1,0]=4 231 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 30993 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 2252 [1,0,0,0,0,0|3,0,0]=4 233 B13R1.13 CC(=O)C1=C(F)C=CC(C(=O)O)=C1 30671 [0,1,0,0,0,0|2,0,0]=3 234 B13R1.13 CC(=O)C1=C(O)C=CC(C(=O)O)=C1 31768 [0,1,0,0,0,0|1,0,0]=2 235 B13R1.13 CC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 24089 [0,1,0,0,0,0|2,0,1]=4 236 B13R1.13 CC(=O)C1=CC([N+](=O)[O-])=C(O)C=C1 4261 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.13 CC(=O)C1=CC=C(O)C(C(N)=O)=C1 30364 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.13 CC1=C(B(O)O)C=C(C(=O)O)C=C1 17390 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.13 CC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 8353 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.13 NC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 4982 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.13 O=C(O)C1=CC(B(O)O)=C(Cl)C=C1 29575 [0,1,0,0,0,0|3,0,0]=4 242 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(Br)C=C1 12479 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(O)C=C1 15046 [0,1,0,0,0,0|2,0,0]=3 244 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(Br)C=C1 2194 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(Cl)C=C1 8986 [0,1,0,0,0,0|3,0,0]=4 246 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(F)C=C1 1306 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(I)C=C1 13471 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(O)C=C1 18981 [0,1,0,0,0,0|2,0,0]=3 249 B13R1.13 O=C(O)C1=CN=C(O)C([N+](=O)[O-])=C1 14325 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.49 CCC(=O)c1ccc(O)c(OC)c1 28262 [0,1,0,0,0,0|1,0,0]=2 251 B13R1.49 COC(=O)C1=CC(C#N)=C(Br)C=C1 30594 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.49 COC(=O)C1=CC(C#N)=C(F)C=C1 12203 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.49 COC(=O)C1=CC(C#N)=C(N)C=C1 30592 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.49 COC(=O)C1=CC(C#N)=C(O)C=C1 16078 [0,1,0,0,0,0|2,0,0]=3 255 B13R1.49 COC(=O)C1=CC(C=O)=C(C)C=C1 30660 [0,1,0,0,0,0|3,0,0]=4 256 B13R1.49 COC(=O)C1=CC(C=O)=C(F)C=C1 30513 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.49 COC(=O)C1=CC(C=O)=C(O)C=C1 30514 [0,1,0,0,0,0|2,0,0]=3 258 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=C1 16300 [0,1,0,0,0,0|1,0,0]=2 259 B13R1.49 COC(=O)C1=CC(OC)=C(C)C=C1 13650 [0,1,0,0,0,0|1,0,0]=2 260 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 30517 [0,1,0,0,0,0|1,0,0]=2 261 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 35231 [0,1,0,0,0,0|0,0,0]=1 262 B13R1.50 COC1=C(N)C=CC(S(C)(=O)=O)=C1 34843 [0,1,0,0,0,0|2,0,1]=4 263 B13R1.298 COC1=CC(B(O)O)=CC(F)=C1F 33854 [0,1,0,0,0,0|2,0,1]=4 264 B13R1.354 CCOC1=C(Br)C=CC([N+](=O)[O-])=C1 3240 [0,1,0,0,0,0|2,0,1]=4 265 B13R1.354 CCOC1=C(Cl)C=CC(B(O)O)=C1 33846 [0,1,0,0,0,0|2,0,1]=4 266 B13R1.354 CCOC1=C(N)C=CC([N+](=O)[O-])=C1 5363 [0,1,0,0,0,0|2,0,1]=4 267 B13R1.651 COC1=C(Cl)C=C(Cl)C([N+](=O)[O-])=C1 28372 [0,1,0,0,0,0|2,0,1]=4 268 B13R1.651 COC1=C(Cl)C=C(F)C([N+](=O)[O-])=C1 8453 [0,1,0,0,0,0|2,0,1]=4 269 B13R1.651 COC1=C(F)C=C(Cl)C([N+](=O)[O-])=C1 28362 [0,1,0,0,0,0|2,0,1]=4 270 B13R1.651 COC1=C(F)C=C(F)C([N+](=O)[O-])=C1 28377 [0,1,0,0,0,0|2,0,1]=4 271 B13R1.651 COC1=C(F)C=C(N)C([N+](=O)[O-])=C1 28344 [0,1,0,0,0,0|2,0,1]=4 272 B13R1.651 COC1=C(N)C=C(Cl)C([N+](=O)[O-])=C1 12139 [0,1,0,0,0,0|2,0,1]=4 273 B13R1.651 COC1=CC(C(=O)O)=C(Br)C=C1F 28566 [0,1,0,0,0,0|1,0,0]=2 274 B13R1.651 COC1=CC(C(=O)O)=C(F)C=C1C 28651 [0,1,0,0,0,0|1,0,0]=2 275 B13R1.651 COC1=CC(C(=O)O)=C(F)C=C1N 28529 [0,1,0,0,0,0|1,0,0]=2 276 B13R1.651 COC1=CC(C(C)=O)=C(F)C=C1O 31197 [0,1,0,0,0,0|1,0,0]=2 277 B13R1.651 COC1=CC(C(C)=O)=C(N)C=C1F 26412 [0,1,0,0,0,0|2,0,0]=3 278 B13R1.651 COC1=CC([N+](=O)[O-])=C(N)C=C1C 31007 [0,1,0,0,0,0|2,0,1]=4 279 B13R1.3091 COC1=C(C#N)C=CC(B(O)O)=C1 27830 [0,1,0,0,0,0|2,0,1]=4 280 B13R1.3091 COC1=C(C=O)C=CC(B(O)O)=C1 33871 [0,1,0,0,0,0|1,0,2]=4 281 B13R1.3091 COC1=C(C=O)C=CC(C(=O)O)=C1 30753 [0,1,0,0,0,0|0,0,1]=2 282 B13R1.3091 COC1=C(C=O)C=CC([N+](=O)[O-])=C1 14276 [0,1,0,0,0,0|1,0,2]=4 283 B13R1.3091 COC1=C(CCl)C=C(C(C)=O)C=C1 24417 [0,1,0,0,0,0|3,0,0]=4 284 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 1826 [0,1,0,0,0,0|1,0,1]=3 285 B13R1.3091 COC1=C(OC)C=C(C(=N)N)C=C1 19820 [0,1,0,0,0,0|2,0,0]=3 286 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 13788 [0,1,0,0,0,0|0,0,0]=1 287 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 10581 [0,1,0,0,0,0|1,0,0]=2 288 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 19761 [0,1,0,0,0,0|1,0,1]=3 289 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC 27242 [0,1,0,0,0,0|1,0,0]=2 290 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1F 11647 [0,1,0,0,0,0|1,0,0]=2 291 B13R1.3230 COC1=C(Cl)C=CC(C(=O)O)=C1Cl 28618 [0,1,0,0,0,0|1,0,0]=2 292 B13R1.3230 COC1=C(F)C=CC(C(=O)O)=C1F 4941 [0,1,0,0,0,0|1,0,0]=2 293 B13R1.3230 COC1=C(F)C=CC(C(=O)O)=C1N 25252 [0,1,0,0,0,0|1,0,0]=2 294 B13R1.3230 COC1=C(O)C=CC(C(=O)O)=C1N 27593 [0,1,0,0,0,0|0,0,0]=1 295 B13R1.3230 COC1=C(O)C=CC(C(C)=O)=C1N 22817 [0,1,0,0,0,0|1,0,0]=2 296 B13R1.3230 COc1c(F)ccc(C(C)=O)c1F 29147 [0,1,0,0,0,0|2,0,0]=3 297 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 33775 [0,0,0,1,0,0|2,0,0]=3 298 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 13198 [0,0,0,1,0,0|1,0,0]=2 299 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OC=C2 7017 [0,0,0,1,0,0|2,0,1]=4 300 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OCC2 6935 [0,0,0,1,0,0|2,0,0]=3 301 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 33735 [0,0,0,1,0,0|1,0,0]=2 302 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 19532 [0,0,0,1,0,0|2,0,1]=4 303 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 9871 [0,0,0,1,0,0|1,1,1]=4 304 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 7018 [0,0,0,1,0,0|1,0,1]=3 305 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 19084 [0,0,0,1,0,0|1,0,1]=3 306 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 14824 [0,0,0,1,0,0|1,0,0]=2 307 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 9772 [0,0,0,1,0,0|0,0,0]=1 308 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 20599 [0,0,0,1,0,0|1,1,1]=4 309 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 10453 [0,0,0,1,0,0|1,1,1]=4 310 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 28024 [0,0,0,1,0,0|1,0,1]=3 311 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 28001 [0,0,0,1,0,0|1,1,1]=4 312 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 3995 [0,0,0,1,0,0|3,0,0]=4 313 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 1695 [0,0,0,1,0,0|2,0,1]=4 314 B13R2.430 O=C(O)C1=CC=C2CNCC2=C1 17842 [0,0,0,1,0,0|3,0,0]=4 315 B13R2.430 O=C(O)C1=CC=C2CNCC2=C1 20914 [0,0,0,1,0,0|3,0,0]=4 316 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 1694 [0,0,0,1,0,0|2,0,1]=4 317 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 23851 [0,0,0,1,0,0|3,0,0]=4 318 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCC2 27762 [0,0,0,1,0,0|2,0,1]=4 319 B13R2.430 O=[N+]([O-])c1ccc2c(c1)OCO2 22908 [0,0,0,1,0,0|1,0,1]=3 320 B13R2.430 OB(O)C1=CC2=C(C=C1)OCC2 7848 [0,0,0,1,0,0|2,0,1]=4 321 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 22674 [0,0,0,1,0,0|1,0,1]=3 322 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 25906 [0,0,0,1,0,0|1,0,1]=3 323 B11R1.64 COC1=C(Cl)SC=C1C(=O)Cl 5473 [0,0,0,0,1,0|3,0,0]=4 324 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 31547 [0,0,0,0,0,1|1,0,0]=2 325 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 25281 [0,0,0,0,0,1|1,0,0]=2 326 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 31437 [0,0,0,0,0,1|1,0,0]=2 327 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 14403 [0,0,0,0,0,1|0,0,0]=1 328 B13R1.52 N#CC1=C(F)C=CC(CC(=O)O)=C1 10065 [0,0,0,0,0,1|3,0,0]=4 329 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [2,0,0,0,0,0|1,0,0]=3 337 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [2,0,0,0,0,0|1,0,0]=3 340 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [2,0,0,0,0,0|2,0,0]=4 341 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [2,0,0,0,0,0|1,1,0]=4 342 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [2,0,0,0,0,0|2,0,0]=4 344 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [2,0,0,0,0,0|2,0,0]=4 345 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [2,0,0,0,0,0|2,0,0]=4 346 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [2,0,0,0,0,0|2,0,0]=4 347 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [2,0,0,0,0,0|2,0,0]=4 348 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [2,0,0,0,0,0|2,0,0]=4 349 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [2,0,0,0,0,0|2,0,0]=4 350 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [2,0,0,0,0,0|1,1,0]=4 351 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [2,0,0,0,0,0|1,0,0]=3 352 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [2,0,0,0,0,0|2,0,0]=4 354 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [2,0,0,0,0,0|2,0,0]=4 355 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [2,0,0,0,0,0|2,0,0]=4 357 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [2,0,0,0,0,0|2,0,0]=4 358 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [2,0,0,0,0,0|2,0,0]=4 359 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [2,0,0,0,0,0|1,0,0]=3 360 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [2,0,0,0,0,0|1,0,0]=3 361 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [2,0,0,0,0,0|1,0,0]=3 362 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [2,0,0,0,0,0|1,0,0]=3 363 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [2,0,0,0,0,0|0,0,0]=2 364 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [2,0,0,0,0,0|2,0,0]=4 365 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [2,0,0,0,0,0|0,1,0]=3 366 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [2,0,0,0,0,0|2,0,0]=4 367 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [2,0,0,0,0,0|2,0,0]=4 368 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [2,0,0,0,0,0|2,0,0]=4 369 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [2,0,0,0,0,0|1,0,0]=3 370 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [2,0,0,0,0,0|2,0,0]=4 371 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [2,0,0,0,0,0|2,0,0]=4 372 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [2,0,0,0,0,0|2,0,0]=4 373 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [2,0,0,0,0,0|2,0,0]=4 374 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [2,0,0,0,0,0|1,0,0]=3 375 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [2,0,0,0,0,0|2,0,0]=4 376 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [2,0,0,0,0,0|1,0,1]=4 377 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [2,0,0,0,0,0|1,0,1]=4 378 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [2,0,0,0,0,0|2,0,0]=4 379 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [2,0,0,0,0,0|1,0,0]=3 380 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [2,0,0,0,0,0|2,0,0]=4 381 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [2,0,0,0,0,0|2,0,0]=4 382 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [2,0,0,0,0,0|2,0,0]=4 383 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [2,0,0,0,0,0|2,0,0]=4 384 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [2,0,0,0,0,0|2,0,0]=4 385 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [2,0,0,0,0,0|2,0,0]=4 386 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [2,0,0,0,0,0|1,0,0]=3 387 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [2,0,0,0,0,0|2,0,0]=4 388 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [2,0,0,0,0,0|2,0,0]=4 389 B10R1.113 CC1=CC(B(O)O)=CC=C1 1872 [2,0,0,0,0,0|1,0,1]=4 390 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [2,0,0,0,0,0|2,0,0]=4 391 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [2,0,0,0,0,0|0,0,0]=2 392 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [2,0,0,0,0,0|1,0,0]=3 393 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [2,0,0,0,0,0|1,0,0]=3 394 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [2,0,0,0,0,0|1,0,0]=3 395 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [2,0,0,0,0,0|1,0,0]=3 396 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [2,0,0,0,0,0|0,1,0]=3 397 B10R1.113 CC1=NC(C(=O)O)=CN=C1 29069 [2,0,0,0,0,0|2,0,0]=4 398 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [2,0,0,0,0,0|1,0,0]=3 399 B10R1.113 CC1=NC=CC(C(=O)O)=N1 25613 [2,0,0,0,0,0|2,0,0]=4 400 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [2,0,0,0,0,0|2,0,0]=4 401 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [2,0,0,0,0,0|2,0,0]=4 402 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [2,0,0,0,0,0|2,0,0]=4 403 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [2,0,0,0,0,0|2,0,0]=4 404 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [2,0,0,0,0,0|2,0,0]=4 405 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [2,0,0,0,0,0|2,0,0]=4 406 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [2,0,0,0,0,0|2,0,0]=4 407 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2426 [2,0,0,0,0,0|2,0,0]=4 408 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [2,0,0,0,0,0|2,0,0]=4 409 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [2,0,0,0,0,0|2,0,0]=4 410 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [2,0,0,0,0,0|1,0,0]=3 411 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 9211 [2,0,0,0,0,0|2,0,0]=4 412 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [2,0,0,0,0,0|1,0,0]=3 413 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [2,0,0,0,0,0|2,0,0]=4 414 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [2,0,0,0,0,0|1,0,0]=3 415 B10R1.113 O=C(O)C1=CC(F)=NC=C1 3548 [2,0,0,0,0,0|2,0,0]=4 416 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [2,0,0,0,0,0|1,0,0]=3 417 B10R1.113 O=C(O)C1=CC(I)=NC=C1 16692 [2,0,0,0,0,0|2,0,0]=4 418 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [2,0,0,0,0,0|0,0,0]=2 419 B10R1.113 O=C(O)C1=CC(O)=NC=C1 16780 [2,0,0,0,0,0|1,0,0]=3 420 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [2,0,0,0,0,0|0,1,0]=3 421 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [2,0,0,0,0,0|2,0,0]=4 422 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [2,0,0,0,0,0|2,0,0]=4 423 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [2,0,0,0,0,0|2,0,0]=4 424 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [2,0,0,0,0,0|2,0,0]=4 425 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [2,0,0,0,0,0|2,0,0]=4 426 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [2,0,0,0,0,0|1,0,0]=3 427 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [2,0,0,0,0,0|2,0,0]=4 428 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [2,0,0,0,0,0|2,0,0]=4 429 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [2,0,0,0,0,0|2,0,0]=4 430 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [2,0,0,0,0,0|1,0,0]=3 431 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [2,0,0,0,0,0|2,0,0]=4 432 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [2,0,0,0,0,0|2,0,0]=4 433 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [2,0,0,0,0,0|2,0,0]=4 434 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [2,0,0,0,0,0|1,0,0]=3 435 B10R1.113 O=C(O)C1=NC=NC(O)=C1 12436 [2,0,0,0,0,0|2,0,0]=4 436 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 17999 [2,0,0,0,0,0|1,0,1]=4 437 B10R1.113 OB(O)C1=CC(O)=CC=C1 1728 [2,0,0,0,0,0|1,0,1]=4 438 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [2,0,0,0,0,0|1,0,0]=3 439 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 24757 [2,0,0,0,0,0|2,0,0]=4 440 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 30935 [2,0,0,0,0,0|1,0,0]=3 441 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [2,0,0,0,0,0|1,0,0]=3 442 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [2,0,0,0,0,0|1,0,1]=4 443 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 4183 [2,0,0,0,0,0|2,0,0]=4 444 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 28400 [2,0,0,0,0,0|1,0,0]=3 445 B10R1.176 CC1=C(F)C=C(C=O)C=C1 1454 [2,0,0,0,0,0|2,0,0]=4 446 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [2,0,0,0,0,0|1,0,0]=3 447 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [2,0,0,0,0,0|0,0,0]=2 448 B10R1.176 CC1=CC(C=O)=CN=C1Br 19576 [2,0,0,0,0,0|2,0,0]=4 449 B10R1.176 CC1=CC(C=O)=CN=C1F 17126 [2,0,0,0,0,0|2,0,0]=4 450 B10R1.176 CC1=CC(C=O)=CN=C1O 27644 [2,0,0,0,0,0|1,0,0]=3 451 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [2,0,0,0,0,0|1,0,1]=4 452 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [2,0,0,0,0,0|2,0,0]=4 453 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [2,0,0,0,0,0|2,0,0]=4 454 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [2,0,0,0,0,0|1,0,1]=4 455 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [2,0,0,0,0,0|1,0,1]=4 456 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 7763 [2,0,0,0,0,0|2,0,0]=4 457 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 2878 [2,0,0,0,0,0|2,0,0]=4 458 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [2,0,0,0,0,0|1,0,0]=3 459 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 8230 [2,0,0,0,0,0|2,0,0]=4 460 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 1409 [2,0,0,0,0,0|2,0,0]=4 461 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [2,0,0,0,0,0|1,0,0]=3 462 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 4033 [2,0,0,0,0,0|2,0,0]=4 463 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 1412 [2,0,0,0,0,0|2,0,0]=4 464 B10R1.176 O=CC1=CC(F)=C(F)C=C1 1413 [2,0,0,0,0,0|2,0,0]=4 465 B10R1.176 O=CC1=CC(F)=C(I)C=C1 1440 [2,0,0,0,0,0|2,0,0]=4 466 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [2,0,0,0,0,0|1,0,0]=3 467 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [2,0,0,0,0,0|1,0,0]=3 468 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 28095 [2,0,0,0,0,0|2,0,0]=4 469 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 28096 [2,0,0,0,0,0|2,0,0]=4 470 B10R1.176 O=CC1=CC(I)=C(F)C=C1 5255 [2,0,0,0,0,0|2,0,0]=4 471 B10R1.176 O=CC1=CC(I)=C(I)C=C1 28094 [2,0,0,0,0,0|2,0,0]=4 472 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 16848 [2,0,0,0,0,0|1,0,0]=3 473 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 30917 [2,0,0,0,0,0|1,0,0]=3 474 B10R1.176 O=CC1=CC(O)=C(I)C=C1 8597 [2,0,0,0,0,0|1,0,0]=3 475 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [2,0,0,0,0,0|0,0,0]=2 476 B10R1.176 O=CC1=CN=C(O)C(Cl)=C1 17091 [2,0,0,0,0,0|2,0,0]=4 477 B10R1.176 OCC1=CC(O)=C(F)C=C1 35161 [2,0,0,0,0,0|1,0,1]=4 478 B10R1.176 OCC1=CC(O)=C(I)C=C1 28804 [2,0,0,0,0,0|1,0,1]=4 479 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [2,0,0,0,0,0|0,0,1]=3 480 B10R1.172 CCC1=CC=CC(C=O)=C1 3073 [2,0,0,0,0,0|1,0,0]=3 481 B10R1.172 COC1=CC(C=O)=NC=C1 27798 [2,0,0,0,0,0|1,0,0]=3 482 B10R1.172 COC1=CC(CO)=NC=C1 9295 [2,0,0,0,0,0|1,0,1]=4 483 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [2,0,0,0,0,0|1,0,1]=4 484 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [2,0,0,0,0,0|0,0,0]=2 485 B10R1.172 COC1=CC=CC(C=O)=N1 15345 [2,0,0,0,0,0|1,0,0]=3 486 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [2,0,0,0,0,0|1,0,1]=4 487 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [2,0,0,0,0,0|1,0,1]=4 488 B10R1.172 COC1=CC=CC(CN)=C1 7401 [2,0,0,0,0,0|1,0,1]=4 489 B10R1.172 COC1=CC=CC(CO)=C1 3095 [2,0,0,0,0,0|0,0,1]=3 490 B10R1.172 COC1=CC=CC(CO)=N1 16585 [2,0,0,0,0,0|1,0,1]=4 491 B10R1.172 COC1=CC=CC(SC)=C1 10653 [2,0,0,0,0,0|2,0,0]=4 492 B10R1.172 COC1=CN=CC(C=O)=C1 27156 [2,0,0,0,0,0|1,0,0]=3 493 B10R1.172 COC1=NC=CC(C=O)=C1 17088 [2,0,0,0,0,0|1,0,0]=3 494 B10R1.172 N#CC1=CC=CC(C=O)=C1 7766 [2,0,0,0,0,0|2,0,0]=4 495 B10R1.172 O=CC1=CC(CBr)=CC=C1 17017 [2,0,0,0,0,0|2,0,0]=4 496 B10R1.172 O=CC1=CC=CC(C=O)=C1 17622 [2,0,0,0,0,0|2,0,0]=4 497 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 2213 [2,0,0,0,0,0|2,0,0]=4 498 B10R1.30 CCC1=C(F)C=CC(O)=C1 27790 [2,0,0,0,0,0|2,0,0]=4 499 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [2,0,0,0,0,0|2,0,0]=4 500 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [2,0,0,0,0,0|2,0,0]=4 501 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [2,0,0,0,0,0|1,0,1]=4 502 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [2,0,0,0,0,0|2,0,0]=4 503 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [2,0,0,0,0,0|2,0,0]=4 504 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [2,0,0,0,0,0|2,0,0]=4 505 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [2,0,0,0,0,0|2,0,0]=4 506 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [2,0,0,0,0,0|1,0,0]=3 507 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [2,0,0,0,0,0|2,0,0]=4 508 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [2,0,0,0,0,0|1,0,1]=4 509 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [2,0,0,0,0,0|2,0,0]=4 510 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [2,0,0,0,0,0|2,0,0]=4 511 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [2,0,0,0,0,0|2,0,0]=4 512 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [2,0,0,0,0,0|2,0,0]=4 513 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [2,0,0,0,0,0|1,0,1]=4 514 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [2,0,0,0,0,0|2,0,0]=4 515 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [2,0,0,0,0,0|2,0,0]=4 516 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [2,0,0,0,0,0|2,0,0]=4 517 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [2,0,0,0,0,0|2,0,0]=4 518 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [2,0,0,0,0,0|1,0,0]=3 519 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [2,0,0,0,0,0|2,0,0]=4 520 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [2,0,0,0,0,0|1,0,1]=4 521 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [2,0,0,0,0,0|2,0,0]=4 522 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [2,0,0,0,0,0|2,0,0]=4 523 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [2,0,0,0,0,0|2,0,0]=4 524 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [2,0,0,0,0,0|1,0,0]=3 525 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [2,0,0,0,0,0|2,0,0]=4 526 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [2,0,0,0,0,0|2,0,0]=4 527 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [2,0,0,0,0,0|2,0,0]=4 528 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [2,0,0,0,0,0|2,0,0]=4 529 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [2,0,0,0,0,0|2,0,0]=4 530 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [2,0,0,0,0,0|2,0,0]=4 531 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [2,0,0,0,0,0|2,0,0]=4 532 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [2,0,0,0,0,0|1,0,0]=3 533 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [2,0,0,0,0,0|1,0,0]=3 534 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [2,0,0,0,0,0|1,0,0]=3 535 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [2,0,0,0,0,0|1,0,0]=3 536 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [2,0,0,0,0,0|1,0,0]=3 537 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [2,0,0,0,0,0|1,0,0]=3 538 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [2,0,0,0,0,0|1,0,0]=3 539 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [2,0,0,0,0,0|1,0,0]=3 540 B10R1.30 O=CC1=C(O)C=CC(O)=C1 2285 [2,0,0,0,0,0|2,0,0]=4 541 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 28244 [1,1,0,0,0,0|2,0,0]=4 542 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 14420 [1,1,0,0,0,0|1,0,0]=3 543 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 30642 [1,1,0,0,0,0|0,0,1]=3 544 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [1,1,0,0,0,0|1,0,0]=3 545 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [1,1,0,0,0,0|2,0,0]=4 546 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 33884 [1,1,0,0,0,0|1,0,1]=4 547 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [1,1,0,0,0,0|1,0,1]=4 548 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [1,1,0,0,0,0|2,0,0]=4 549 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [1,1,0,0,0,0|2,0,0]=4 550 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [1,1,0,0,0,0|1,0,0]=3 551 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [1,1,0,0,0,0|2,0,0]=4 552 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [1,1,0,0,0,0|1,0,0]=3 553 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [1,1,0,0,0,0|1,0,0]=3 554 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [1,1,0,0,0,0|2,0,0]=4 555 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [1,1,0,0,0,0|0,0,0]=2 556 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [1,1,0,0,0,0|2,0,0]=4 557 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [1,1,0,0,0,0|1,0,0]=3 558 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 30638 [1,1,0,0,0,0|2,0,0]=4 559 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 4604 [1,1,0,0,0,0|2,0,0]=4 560 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 30636 [1,1,0,0,0,0|2,0,0]=4 561 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 27612 [1,1,0,0,0,0|1,0,1]=4 562 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 30603 [1,1,0,0,0,0|1,0,1]=4 563 B12R1.48 O=CC1=C(F)C=C(C(=O)O)C=C1 30604 [1,1,0,0,0,0|1,0,1]=4 564 B12R1.232 CC(=O)C1=C(O)C=C(C)C(C)=C1 29281 [1,1,0,0,0,0|2,0,0]=4 565 B12R1.232 CC1=C(C(=O)O)C=C(F)C(F)=C1 8243 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F 1364 [1,1,0,0,0,0|2,0,0]=4 567 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F 1362 [1,1,0,0,0,0|1,0,0]=3 568 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1Br 1365 [1,1,0,0,0,0|1,0,0]=3 569 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F 8228 [1,1,0,0,0,0|1,0,0]=3 570 B12R1.232 CC1=CC(C(=O)O)=C(N)C=C1Cl 15932 [1,1,0,0,0,0|1,0,0]=3 571 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1Br 27675 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C 15442 [1,1,0,0,0,0|1,0,0]=3 573 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1Cl 30698 [1,1,0,0,0,0|2,0,0]=4 574 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1F 30543 [1,1,0,0,0,0|2,0,0]=4 575 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Br 35901 [1,1,0,0,0,0|2,0,0]=4 576 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Cl 23768 [1,1,0,0,0,0|2,0,0]=4 577 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F 4944 [1,1,0,0,0,0|2,0,0]=4 578 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1O 28642 [1,1,0,0,0,0|1,0,0]=3 579 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C 28519 [1,1,0,0,0,0|1,0,0]=3 580 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I 28668 [1,1,0,0,0,0|2,0,0]=4 581 B12R1.232 NC1=C(C(=O)O)C=C(Br)C(Br)=C1 27557 [1,1,0,0,0,0|2,0,0]=4 582 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 19833 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Cl)=C1 4657 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 30560 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.232 NC1=C(C(=O)O)C=C(F)C(F)=C1 4675 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 28514 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1F 8202 [1,1,0,0,0,0|2,0,0]=4 588 B12R1.232 O=C(O)C1=C(Br)C=C(F)C(F)=C1 4991 [1,1,0,0,0,0|2,0,0]=4 589 B12R1.232 O=C(O)C1=C(Br)C=C(O)C(Br)=C1 30597 [1,1,0,0,0,0|1,0,0]=3 590 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(Cl)=C1 30480 [1,1,0,0,0,0|2,0,0]=4 591 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(F)=C1 1361 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 1338 [1,1,0,0,0,0|2,0,0]=4 593 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(F)=C1 1339 [1,1,0,0,0,0|2,0,0]=4 594 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(F)=C1 28555 [1,1,0,0,0,0|2,0,0]=4 595 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 3556 [1,1,0,0,0,0|2,0,0]=4 596 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 4615 [1,1,0,0,0,0|2,0,0]=4 597 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 1367 [1,1,0,0,0,0|2,0,0]=4 598 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Cl)=C1 1343 [1,1,0,0,0,0|2,0,0]=4 599 B12R1.232 O=C(O)C1=C(F)C=C(F)C(F)=C1 1346 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.232 O=C(O)C1=C(I)C=C(F)C(F)=C1 18500 [1,1,0,0,0,0|2,0,0]=4 601 B12R1.232 O=C(O)C1=C(O)C=C(F)C(Cl)=C1 30645 [1,1,0,0,0,0|2,0,0]=4 602 B12R1.367 CC1=C(C)C=C(C(=O)CBr)C=C1 31208 [1,1,0,0,0,0|2,0,0]=4 603 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 3967 [1,1,0,0,0,0|2,0,0]=4 604 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 18716 [1,1,0,0,0,0|2,0,0]=4 605 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 25997 [1,1,0,0,0,0|2,0,0]=4 606 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 30454 [1,1,0,0,0,0|2,0,0]=4 607 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 3970 [1,1,0,0,0,0|1,0,0]=3 608 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 3710 [1,1,0,0,0,0|1,0,0]=3 609 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 18887 [1,1,0,0,0,0|1,0,0]=3 610 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 2351 [1,1,0,0,0,0|1,0,0]=3 611 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [1,1,0,0,0,0|0,0,0]=2 612 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 10935 [1,1,0,0,0,0|2,0,0]=4 613 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 10804 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 30511 [1,1,0,0,0,0|1,0,0]=3 615 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 30521 [1,1,0,0,0,0|2,0,0]=4 616 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 16655 [1,1,0,0,0,0|2,0,0]=4 617 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 14795 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.367 COC(=O)C1=CC(F)=C(I)C=C1 30688 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 28528 [1,1,0,0,0,0|2,0,0]=4 620 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 30515 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 10432 [1,1,0,0,0,0|2,0,0]=4 622 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 27778 [1,1,0,0,0,0|1,0,0]=3 623 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 16736 [1,1,0,0,0,0|2,0,0]=4 624 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 10930 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 26806 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 10509 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 4610 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 28531 [1,1,0,0,0,0|1,0,0]=3 629 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 30757 [1,1,0,0,0,0|1,0,0]=3 630 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 13647 [1,1,0,0,0,0|1,0,0]=3 631 B12R1.367 COC(=O)C1=CC(O)=C(F)C=C1 3567 [1,1,0,0,0,0|1,0,0]=3 632 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 31767 [1,1,0,0,0,0|1,0,0]=3 633 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 3149 [1,1,0,0,0,0|1,0,0]=3 634 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 34764 [1,1,0,0,0,0|2,0,0]=4 635 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 34542 [1,1,0,0,0,0|1,0,0]=3 636 B12R1.367 COC(=O)c1ccc(F)c(N)c1 30508 [1,1,0,0,0,0|2,0,0]=4 637 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 6074 [1,1,0,0,0,0|1,0,1]=4 638 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 36477 [1,1,0,0,0,0|1,0,1]=4 639 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 3386 [1,1,0,0,0,0|1,0,0]=3 640 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 29277 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.893 CC(=O)C1=C(F)C(O)=C(F)C=C1 29144 [1,1,0,0,0,0|2,0,0]=4 642 B12R1.893 CC(=O)C1=C(O)C(O)=C(O)C=C1 3246 [1,1,0,0,0,0|1,0,0]=3 643 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1F 8240 [1,1,0,0,0,0|2,0,0]=4 644 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 4683 [1,1,0,0,0,0|1,0,0]=3 645 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F 4943 [1,1,0,0,0,0|1,0,0]=3 646 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C 28520 [1,1,0,0,0,0|1,0,0]=3 647 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F 30699 [1,1,0,0,0,0|2,0,0]=4 648 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl 17205 [1,1,0,0,0,0|2,0,0]=4 649 B12R1.893 NC1=C(C(=O)O)C=CC(F)=C1F 28515 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.893 NC1=C(F)C(F)=C(C(=O)O)C=C1 4674 [1,1,0,0,0,0|2,0,0]=4 651 B12R1.893 O=C(O)C1=C(Br)C(F)=C(F)C=C1 4992 [1,1,0,0,0,0|2,0,0]=4 652 B12R1.893 O=C(O)C1=C(Br)C(O)=C(Br)C=C1 33930 [1,1,0,0,0,0|1,0,0]=3 653 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(F)C=C1 4613 [1,1,0,0,0,0|2,0,0]=4 654 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 30701 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.893 O=C(O)C1=C(Cl)C(O)=C(Br)C=C1 33931 [1,1,0,0,0,0|1,0,0]=3 656 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 2217 [1,1,0,0,0,0|2,0,0]=4 657 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 4994 [1,1,0,0,0,0|2,0,0]=4 658 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 4744 [1,1,0,0,0,0|2,0,0]=4 659 B12R1.893 O=C(O)C1=C(F)C(F)=C(F)C=C1 1345 [1,1,0,0,0,0|2,0,0]=4 660 B12R1.893 O=C(O)C1=C(F)C(F)=C(O)C=C1 2609 [1,1,0,0,0,0|1,0,0]=3 661 B12R1.893 O=C(O)C1=C(F)C(O)=C(F)C=C1 4937 [1,1,0,0,0,0|1,0,0]=3 662 B12R1.893 O=C(O)C1=C(O)C(F)=C(F)C=C1 28626 [1,1,0,0,0,0|2,0,0]=4 663 B12R1.893 O=C(O)C1=C(O)C(O)=C(Br)C=C1 33932 [1,1,0,0,0,0|1,0,0]=3 664 B12R1.1005 CC(=O)C1=CC(Br)=C(O)C(Br)=C1 28246 [1,1,0,0,0,0|2,0,0]=4 665 B12R1.1005 CC(=O)C1=CC(F)=C(O)C(F)=C1 12937 [1,1,0,0,0,0|2,0,0]=4 666 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1Br 3897 [1,1,0,0,0,0|2,0,0]=4 667 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1F 30471 [1,1,0,0,0,0|2,0,0]=4 668 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 30468 [1,1,0,0,0,0|2,0,0]=4 669 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1F 30540 [1,1,0,0,0,0|2,0,0]=4 670 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1I 29115 [1,1,0,0,0,0|2,0,0]=4 671 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O 4755 [1,1,0,0,0,0|1,0,0]=3 672 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1F 4694 [1,1,0,0,0,0|2,0,0]=4 673 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O 3868 [1,1,0,0,0,0|1,0,0]=3 674 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br 28557 [1,1,0,0,0,0|1,0,0]=3 675 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N 24790 [1,1,0,0,0,0|1,0,0]=3 676 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1O 16247 [1,1,0,0,0,0|0,0,0]=2 677 B12R1.1005 CC1=CC(C(=O)O)=CC(Cl)=C1N 13409 [1,1,0,0,0,0|1,0,0]=3 678 B12R1.1005 CC1=CC(C(=O)O)=CC(F)=C1F 28992 [1,1,0,0,0,0|1,0,0]=3 679 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1Br 23419 [1,1,0,0,0,0|2,0,0]=4 680 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(C)=C1O 28382 [1,1,0,0,0,0|1,0,1]=4 681 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1Br 22563 [1,1,0,0,0,0|2,0,0]=4 682 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 17129 [1,1,0,0,0,0|2,0,0]=4 683 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl 14451 [1,1,0,0,0,0|2,0,0]=4 684 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F 28517 [1,1,0,0,0,0|2,0,0]=4 685 B12R1.1005 NC1=C(I)C=C(C(=O)O)C=C1I 4681 [1,1,0,0,0,0|2,0,0]=4 686 B12R1.1005 O=C(O)C1=CC(Br)=C(Cl)C(Cl)=C1 30751 [1,1,0,0,0,0|2,0,0]=4 687 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(F)=C1 28554 [1,1,0,0,0,0|2,0,0]=4 688 B12R1.1005 O=C(O)C1=CC(Br)=C(O)C(Br)=C1 3857 [1,1,0,0,0,0|1,0,0]=3 689 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 28693 [1,1,0,0,0,0|2,0,0]=4 690 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(Cl)=C1 1378 [1,1,0,0,0,0|2,0,0]=4 691 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 4741 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(Cl)=C1 3689 [1,1,0,0,0,0|1,0,0]=3 693 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 34859 [1,1,0,0,0,0|0,0,0]=2 694 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 30704 [1,1,0,0,0,0|2,0,0]=4 695 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 1348 [1,1,0,0,0,0|2,0,0]=4 696 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 28627 [1,1,0,0,0,0|1,0,0]=3 697 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 33424 [1,1,0,0,0,0|1,0,0]=3 698 B12R1.1005 O=C(O)C1=CC(O)=C(Br)C(O)=C1 8196 [1,1,0,0,0,0|1,0,0]=3 699 B12R1.11 CC1=CC(C(=O)O)=CC(C#N)=C1 28607 [1,1,0,0,0,0|2,0,0]=4 700 B12R1.11 COC1=CC(B(O)O)=CC(Br)=C1 29588 [1,1,0,0,0,0|1,0,1]=4 701 B12R1.11 COC1=CC(B(O)O)=CC(Cl)=C1 1777 [1,1,0,0,0,0|1,0,1]=4 702 B12R1.11 COC1=CC(B(O)O)=CC(F)=C1 29601 [1,1,0,0,0,0|1,0,1]=4 703 B12R1.11 COC1=CC(B(O)O)=CC(O)=C1 33201 [1,1,0,0,0,0|1,0,1]=4 704 B12R1.11 COC1=CC(C(=O)Cl)=CC(Cl)=N1 17742 [1,1,0,0,0,0|2,0,0]=4 705 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=C1 16435 [1,1,0,0,0,0|0,0,0]=2 706 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=C1 14017 [1,1,0,0,0,0|0,0,0]=2 707 B12R1.11 COC1=CC(C(=O)O)=CC(F)=C1 45057 [1,1,0,0,0,0|0,0,0]=2 708 B12R1.11 COC1=CC(C(=O)O)=CC(F)=C1 45057 [1,1,0,0,0,0|0,0,0]=2 709 B12R1.11 COC1=CC(C(=O)O)=CC(I)=C1 27807 [1,1,0,0,0,0|0,0,0]=2 710 B12R1.11 COC1=CC(C(=O)O)=CC(N)=C1 27806 [1,1,0,0,0,0|0,0,0]=2 711 B12R1.11 COC1=CC(C)=CC(B(O)O)=C1 34406 [1,1,0,0,0,0|1,0,1]=4 712 B12R1.11 COC1=CC(C)=CC(C(=O)O)=C1 25660 [1,1,0,0,0,0|0,0,0]=2 713 B12R1.11 COC1=CC(Cl)=CC([N+](=O)[O-])=C1 31166 [1,1,0,0,0,0|1,0,1]=4 714 B12R1.11 COC1=CC([N+](=O)[O-])=CC(Br)=C1 21624 [1,1,0,0,0,0|1,0,1]=4 715 B12R1.11 COC1=CC([N+](=O)[O-])=CC(F)=C1 33262 [1,1,0,0,0,0|1,0,1]=4 716 B12R1.11 COC1=CC([N+](=O)[O-])=CC(O)=C1 35140 [1,1,0,0,0,0|1,0,1]=4 717 B12R1.11 N#CC1=CC(C(=O)O)=CC(Br)=C1 30601 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.11 N#CC1=CC(O)=CC(C(=O)O)=C1 27679 [1,1,0,0,0,0|2,0,0]=4 719 B12R1.11 O=CC1=CC(C(=O)O)=CC(Br)=C1 27630 [1,1,0,0,0,0|2,0,0]=4 720 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 34513 [1,1,0,0,0,0|2,0,0]=4 721 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=C1 28503 [1,1,0,0,0,0|1,0,0]=3 722 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=N1 23361 [1,1,0,0,0,0|2,0,0]=4 723 B12R1.258 CC(C)C1=NC=CC(C(=O)O)=C1 34784 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.258 O=C(O)C1=CC=CC(B(O)O)=C1 1773 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=C1 9420 [1,1,0,0,0,0|2,0,0]=4 726 B12R1.279 CCOC1=CC([N+](=O)[O-])=CC=C1 3189 [1,1,0,0,0,0|1,0,1]=4 727 B12R1.279 CCOC1=CC=CC(B(O)O)=C1 1835 [1,1,0,0,0,0|1,0,1]=4 728 B12R1.279 CCOC1=CC=CC(C(=O)O)=C1 34280 [1,1,0,0,0,0|0,0,0]=2 729 B12R1.279 COCC1=CC=CC(B(O)O)=C1 33893 [1,1,0,0,0,0|1,0,1]=4 730 B12R1.279 N#CCC1=CC=CC(C(=O)O)=C1 16897 [1,1,0,0,0,0|1,0,1]=4 731 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 44763 [1,1,0,0,0,0|1,0,1]=4 732 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 21088 [1,1,0,0,0,0|2,0,0]=4 733 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 12631 [1,1,0,0,0,0|2,0,0]=4 734 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 17417 [1,1,0,0,0,0|2,0,0]=4 735 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 30509 [1,1,0,0,0,0|2,0,0]=4 736 B12R1.435 COC(=O)C1=CC(CCl)=CC=C1 19902 [1,1,0,0,0,0|2,0,0]=4 737 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 11178 [1,1,0,0,0,0|2,0,0]=4 738 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 16541 [1,1,0,0,0,0|1,0,0]=3 739 B12R1.435 COC(=O)C1=NC(OC)=CN=C1 32123 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.435 COC(=O)c1cc(OC)ccn1 11083 [1,1,0,0,0,0|1,0,0]=3 741 B12R1.435 COC(=O)c1cccc(SCl)c1 28889 [1,1,0,0,0,0|1,1,0]=4 742 B12R1.435 COC1=CC(C(=O)NN)=NC=C1 26935 [1,1,0,0,0,0|2,0,0]=4 743 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 12325 [1,1,0,0,0,0|0,0,1]=3 744 B12R1.435 COC1=CC=CC(C(=O)NN)=N1 16554 [1,1,0,0,0,0|2,0,0]=4 745 B12R1.435 COc1cccc(C(=O)CN)c1 20065 [1,1,0,0,0,0|1,0,0]=3 746 B12R1.436 COC1=CC=CC(S(=O)(=O)Cl)=C1 5169 [1,1,0,0,0,0|1,0,1]=4 747 B12R1.440 CCC1=CC=CC(C(=O)O)=C1N 27701 [1,1,0,0,0,0|1,0,0]=3 748 B12R1.440 COC1=C(Br)C([N+](=O)[O-])=CC=C1 3140 [1,1,0,0,0,0|1,0,1]=4 749 B12R1.440 COC1=C(C)C([N+](=O)[O-])=CC=C1 4148 [1,1,0,0,0,0|1,0,1]=4 750 B12R1.440 COC1=C(Cl)C([N+](=O)[O-])=CC=C1 19263 [1,1,0,0,0,0|1,0,1]=4 751 B12R1.440 COC1=C(Cl)C([N+](=O)[O-])=CC=C1 31136 [1,1,0,0,0,0|1,0,1]=4 752 B12R1.440 COC1=C(N)C([N+](=O)[O-])=CC=C1 19661 [1,1,0,0,0,0|1,0,1]=4 753 B12R1.440 COC1=C(O)C([N+](=O)[O-])=CC=C1 33267 [1,1,0,0,0,0|1,0,1]=4 754 B12R1.440 COC1=CC=CC(B(O)O)=C1Cl 32861 [1,1,0,0,0,0|1,0,1]=4 755 B12R1.440 COC1=CC=CC(B(O)O)=C1F 1848 [1,1,0,0,0,0|1,0,1]=4 756 B12R1.440 COC1=CC=CC(B(O)O)=C1O 33844 [1,1,0,0,0,0|1,0,1]=4 757 B12R1.440 COC1=CC=CC(C(=O)O)=C1Br 30461 [1,1,0,0,0,0|0,0,0]=2 758 B12R1.440 COC1=CC=CC(C(=O)O)=C1C 4976 [1,1,0,0,0,0|0,0,0]=2 759 B12R1.440 COC1=CC=CC(C(=O)O)=C1Cl 28592 [1,1,0,0,0,0|0,0,0]=2 760 B12R1.440 COC1=CC=CC(C(=O)O)=C1F 4964 [1,1,0,0,0,0|0,0,0]=2 761 B12R1.440 COC1=CC=CC(C(=O)O)=C1N 4701 [1,1,0,0,0,0|0,0,0]=2 762 B12R1.440 COC1=CC=CC(C(C)=O)=C1N 29251 [1,1,0,0,0,0|1,0,0]=3 763 B12R1.440 N#CC1=CC=CC(C(=O)O)=C1F 27654 [1,1,0,0,0,0|2,0,0]=4 764 B12R1.440 N#CC1=CC=CC(C(=O)O)=C1N 27653 [1,1,0,0,0,0|2,0,0]=4 765 B12R1.440 N#CC1=CC=CC(C(=O)O)=C1O 27383 [1,1,0,0,0,0|2,0,0]=4 766 B12R1.440 O=C(O)C1=C(Cl)C(CF)=CC=C1 2557 [1,1,0,0,0,0|2,0,0]=4 767 B12R1.440 O=C(O)C1=C(F)C(CO)=CC=C1 16482 [1,1,0,0,0,0|2,0,0]=4 768 B12R1.453 CC1=C(C(=O)O)C=C(C=O)C=C1 30646 [1,1,0,0,0,0|2,0,0]=4 769 B12R1.453 CCC1=CC(C(=O)O)=C(N)C=C1 33560 [1,1,0,0,0,0|1,0,0]=3 770 B12R1.453 COC1=CC(B(O)O)=C(C)C=C1 26663 [1,1,0,0,0,0|1,0,1]=4 771 B12R1.453 COC1=CC(B(O)O)=C(Cl)C=C1 6932 [1,1,0,0,0,0|1,0,1]=4 772 B12R1.453 COC1=CC(B(O)O)=C(F)C=C1 4080 [1,1,0,0,0,0|1,0,1]=4 773 B12R1.453 COC1=CC(B(O)O)=C(O)C=C1 32860 [1,1,0,0,0,0|1,0,1]=4 774 B12R1.453 COC1=CC(C(=O)O)=C(Br)C=C1 2674 [1,1,0,0,0,0|0,0,0]=2 775 B12R1.453 COC1=CC(C(=O)O)=C(C)C=C1 28681 [1,1,0,0,0,0|0,0,0]=2 776 B12R1.453 COC1=CC(C(=O)O)=C(Cl)C=C1 4563 [1,1,0,0,0,0|0,0,0]=2 777 B12R1.453 COC1=CC(C(=O)O)=C(F)C=C1 4966 [1,1,0,0,0,0|0,0,0]=2 778 B12R1.453 COC1=CC(C(=O)O)=C(N)C=C1 2544 [1,1,0,0,0,0|0,0,0]=2 779 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 13248 [1,1,0,0,0,0|1,0,0]=3 780 B12R1.453 COC1=CC([N+](=O)[O-])=C(Br)C=C1 2655 [1,1,0,0,0,0|1,0,1]=4 781 B12R1.453 COC1=CC([N+](=O)[O-])=C(C)C=C1 3127 [1,1,0,0,0,0|1,0,1]=4 782 B12R1.453 COC1=CC([N+](=O)[O-])=C(Cl)C=C1 2627 [1,1,0,0,0,0|1,0,1]=4 783 B12R1.453 COC1=CC([N+](=O)[O-])=C(F)C=C1 31156 [1,1,0,0,0,0|1,0,1]=4 784 B12R1.453 COC1=CC([N+](=O)[O-])=C(I)C=C1 35587 [1,1,0,0,0,0|1,0,1]=4 785 B12R1.453 COC1=CC([N+](=O)[O-])=C(N)C=C1 28349 [1,1,0,0,0,0|1,0,1]=4 786 B12R1.453 COC1=CC([N+](=O)[O-])=C(O)C=C1 16829 [1,1,0,0,0,0|1,0,1]=4 787 B12R1.453 COC1=CC=C(N)C(C(=O)O)=N1 16081 [1,1,0,0,0,0|1,0,0]=3 788 B12R1.453 COC1=NC=C(Br)C(C(=O)O)=C1 26582 [1,1,0,0,0,0|1,0,0]=3 789 B12R1.453 COC1=NC=C(N)C(C(=O)O)=C1 16080 [1,1,0,0,0,0|1,0,0]=3 790 B12R1.453 CSC1=CC(C(=O)O)=C(Cl)C=C1 10797 [1,1,0,0,0,0|0,1,0]=3 791 B12R1.453 N#CC1=CC(C(=O)O)=C(Br)C=C1 28548 [1,1,0,0,0,0|2,0,0]=4 792 B12R1.453 N#CC1=CC(C(=O)O)=C(F)C=C1 4605 [1,1,0,0,0,0|2,0,0]=4 793 B12R1.453 N#CC1=CC(C(=O)O)=C(I)C=C1 27772 [1,1,0,0,0,0|2,0,0]=4 794 B12R1.453 N#CC1=CC(C(=O)O)=C(N)C=C1 30599 [1,1,0,0,0,0|2,0,0]=4 795 B12R1.453 O=CC1=CC=C(O)C(C(=O)O)=C1 10569 [1,1,0,0,0,0|2,0,0]=4 796 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [1,1,0,0,0,0|1,0,1]=4 797 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [1,1,0,0,0,0|1,0,1]=4 798 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [1,1,0,0,0,0|1,0,1]=4 799 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [1,1,0,0,0,0|0,0,0]=2 800 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [1,1,0,0,0,0|1,0,1]=4 801 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [1,1,0,0,0,0|1,0,1]=4 802 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [1,1,0,0,0,0|0,0,1]=3 803 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [1,1,0,0,0,0|2,0,0]=4 804 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 14775 [1,1,0,0,0,0|1,0,1]=4 805 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [1,1,0,0,0,0|1,0,1]=4 806 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 8197 [1,1,0,0,0,0|0,0,0]=2 807 B12R1.300 COC1=CC(C=O)=CC(F)=C1F 30893 [1,1,0,0,0,0|1,0,0]=3 808 B12R1.300 COC1=CC(C=O)=CC(F)=C1O 10464 [1,1,0,0,0,0|0,0,0]=2 809 B12R1.300 COC1=CC(C=O)=CC(O)=C1O 8233 [1,1,0,0,0,0|0,0,0]=2 810 B12R1.449 CCC1=CC(OC)=C(O)C=C1F 26368 [1,1,0,0,0,0|1,0,1]=4 811 B12R1.654 COC1=C(F)C=CC(C=O)=C1F 25895 [1,1,0,0,0,0|1,0,0]=3 812 B14R1.439 CCOC1=C(O)C=CC(CC(=O)O)=C1 12537 [0,1,0,0,0,1|0,0,0]=2 813 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 12394 [0,1,0,0,0,1|0,0,0]=2 814 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 15020 [0,1,0,0,0,1|1,0,0]=3 815 B14R1.3651 COC1=C(OC)C=C(C[C@@H](C)O)C=C1 15584 [0,1,0,0,0,1|1,0,1]=4 816 B14R1.3651 COC1=C(OC)C=C(C[C@H](C)O)C=C1 23471 [0,1,0,0,0,1|1,0,1]=4 817 B14R1.3651 COC1=C(OC)C=C(NC(=N)N)C=C1 22166 [0,1,0,0,0,1|2,0,0]=4 818 B14R1.12 CC(C)(C)C1=C(O)C=CC(C(=O)O)=C1 27625 [0,2,0,0,0,0|1,0,0]=3 819 B14R1.12 O=C(O)C1=CC(C(F)(F)F)=C(O)C=C1 28674 [0,2,0,0,0,0|2,0,0]=4 820 B14R1.12 O=C(O)C1=CC(C(F)(F)F)=C(O)C=C1 30484 [0,2,0,0,0,0|2,0,0]=4 821 B14R1.31 COC1=C(C(=O)O)C=C(C(=O)O)C=C1 15047 [0,2,0,0,0,0|2,0,0]=4 822 B14R1.31 COC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 21942 [0,2,0,0,0,0|2,0,0]=4 823 B14R1.706 COC(=O)C1=C(Br)C=CC(C(C)=O)=C1 30650 [0,2,0,0,0,0|2,0,0]=4 824 B14R1.706 COC(=O)C1=C(O)C=CC(C(C)=O)=C1 22504 [0,2,0,0,0,0|1,0,0]=3 825 B14R1.706 COC(=O)c1cc(C(=O)O)ccc1C 30643 [0,2,0,0,0,0|1,0,0]=3 826 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(Br)C=C1 30690 [0,2,0,0,0,0|2,0,0]=4 827 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(F)C=C1 30684 [0,2,0,0,0,0|2,0,0]=4 828 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(N)C=C1 19686 [0,2,0,0,0,0|2,0,0]=4 829 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(O)C=C1 31769 [0,2,0,0,0,0|1,0,0]=3 830 B14R1.6035 CC(=O)C1=CC(C(=O)O)=C(N)C=C1O 22637 [0,2,0,0,0,0|1,0,0]=3 831 B14R1.6035 CC1=C(C(=O)O)C=C([N+](=O)[O-])C(O)=C1 28671 [0,2,0,0,0,0|2,0,0]=4 832 B14R1.358 COC(=O)C1=CC(O)=C(O)C(OC)=C1 22944 [0,2,0,0,0,0|0,0,0]=2 833 B14R1.626 CCOC(=O)C1=CC(C#N)=C(O)C=C1 16079 [0,2,0,0,0,0|2,0,0]=4 834 B14R1.626 CCOC(=O)C1=CC(OC)=C(F)C=C1 18890 [0,2,0,0,0,0|1,0,0]=3 835 B14R1.1864 COC(=O)C1=CC(C#N)=C(OC)C=C1 30512 [0,2,0,0,0,0|2,0,0]=4 836 B14R1.1864 COC(=O)C1=CC(OC)=C(C=O)C=C1 22929 [0,2,0,0,0,0|0,0,1]=3 837 B14R1.1864 COC(=O)C1=CC(OC)=C(CBr)C=C1 2159 [0,2,0,0,0,0|1,0,0]=3 838 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 13009 [0,2,0,0,0,0|0,0,0]=2 839 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 12147 [0,2,0,0,0,0|0,0,1]=3 840 B14R1.3654 COC1=C(OC)C=C(S(=O)(=O)Cl)C=C1 5127 [0,2,0,0,0,0|1,0,1]=4 841 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1O 2673 [0,2,0,0,0,0|0,0,0]=2 842 B14R1.362 COC1=CC(C(C)=O)=CC(OC)=C1O 35337 [0,2,0,0,0,0|1,0,0]=3 843 B14R1.569 COC1=CC(C(=O)O)=C(F)C(F)=C1F 24326 [0,2,0,0,0,0|1,0,0]=3 844 B14R1.569 COC1=CC(C(=O)O)=C(F)C(F)=C1F 9790 [0,2,0,0,0,0|1,0,0]=3 845 B14R1.12249 COC1=C(F)C(F)=CC(C(=O)Cl)=C1F 8384 [0,2,0,0,0,0|2,0,0]=4 846 B14R1.12249 COC1=C(F)C(F)=CC(C(=O)O)=C1F 1352 [0,2,0,0,0,0|1,0,0]=3 847 B14R1.12249 COC1=C(F)C(F)=CC(C(=O)O)=C1F 2237 [0,2,0,0,0,0|1,0,0]=3 848 B14R1.5389 CCCc1c(O)ccc(C(C)=O)c1O 19225 [0,2,0,0,0,0|2,0,0]=4 849 B14R1.1851 CCC1=CC(C(C)=O)=C(N)C=C1OC 26415 [0,2,0,0,0,0|2,0,0]=4 850 B14R1.1851 CCC1=CC(N)=C(C(C)=O)C=C1OC 26413 [0,2,0,0,0,0|2,0,0]=4 851 B14R1.1851 COC1=CC(Br)=C(C(=O)O)C=C1OC 30561 [0,2,0,0,0,0|0,0,0]=2 852 B14R1.1851 COC1=CC(Cl)=C(C(=O)O)C=C1OC 12496 [0,2,0,0,0,0|0,0,0]=2 853 B14R1.1851 COC1=CC(F)=C(C(=O)O)C=C1OC 30670 [0,2,0,0,0,0|0,0,0]=2 854 B14R1.1851 COC1=CC(F)=C(C(C)=O)C=C1OC 31222 [0,2,0,0,0,0|1,0,0]=3 855 B14R1.1851 COC1=CC(I)=C(C(=O)O)C=C1OC 12524 [0,2,0,0,0,0|0,0,0]=2 856 B14R1.1851 COC1=CC(N)=C(C(=O)O)C=C1OC 3110 [0,2,0,0,0,0|0,0,0]=2 857 B14R1.1851 COC1=CC(N)=C(C(C)=O)C=C1OC 4007 [0,2,0,0,0,0|1,0,0]=3 858 B14R1.2288 COC1=CC(C(C)=O)=C(OC)C=C1Br 25467 [0,2,0,0,0,0|2,0,0]=4 859 B14R1.2288 COC1=CC([N+](=O)[O-])=C(C=O)C=C1O 35251 [0,2,0,0,0,0|1,0,1]=4 860 B14R1.43 COC1=C(C(=O)O)C=CC(B(O)O)=C1 29605 [0,2,0,0,0,0|1,0,1]=4 861 B14R1.43 COC1=C(C(=O)O)C=CC([N+](=O)[O-])=C1 4977 [0,2,0,0,0,0|1,0,1]=4 862 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(=O)O)=C1 3918 [0,2,0,0,0,0|0,0,1]=3 863 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(C)=O)=C1 29283 [0,2,0,0,0,0|1,0,1]=4 864 B14R1.2023 COC1=C(OC)C(Cl)=C(C(=O)O)C=C1 15948 [0,2,0,0,0,0|0,0,0]=2 865 B14R1.2023 COC1=C(OC)C(N)=C(C(=O)O)C=C1 27580 [0,2,0,0,0,0|0,0,0]=2 866 B14R1.2023 COC1=C(OC)C(N)=C(C(C)=O)C=C1 22815 [0,2,0,0,0,0|1,0,0]=3 867 B14R1.6723 CCOC1=C(OC)C=C(C(=O)O)C=C1 24203 [0,2,0,0,0,0|0,0,0]=2 868 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [0,0,1,1,0,0|1,0,1]=4 869 B12R2.1384 O=C(O)C1=CC2=C(C=C1)C=C2 25599 [1,0,0,1,0,0|1,0,1]=4 870 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 35833 [1,0,0,1,0,0|1,0,1]=4 871 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 15358 [1,0,0,1,0,0|1,0,1]=4 872 B12R2.44 NCC1=CC2=C(C=C1)OCO2 7387 [1,0,0,1,0,0|1,0,1]=4 873 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 7015 [1,0,0,1,0,0|1,0,1]=4 874 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [1,0,0,1,0,0|1,0,0]=3 875 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 28005 [1,0,0,1,0,0|1,0,1]=4 876 B12R2.44 O=CC1=CC=C2CCCC2=C1 21537 [1,0,0,1,0,0|2,0,0]=4 877 B12R2.44 OCC1=CC2=C(C=C1)CCO2 33826 [1,0,0,1,0,0|1,0,1]=4 878 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [1,0,0,1,0,0|1,0,1]=4 879 B12R2.44 OCC1=CC2=C(C=C1)OCO2 13179 [1,0,0,1,0,0|0,0,1]=3 880 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 15588 [0,0,0,1,0,1|1,0,1]=4 881 B14R2.1008 N=C(N)NC1=CC2=C(C=C1)OCO2 22167 [0,0,0,1,0,1|2,0,0]=4 882 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 44846 [0,0,0,1,0,1|1,0,0]=3 883 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 9983 [0,0,0,1,0,1|1,0,0]=3 884 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 24196 [0,0,0,1,0,1|0,0,0]=2 885 B14R2.24358 CC1=NNC2=CC=C(C(=O)O)C=C21 28051 [0,1,0,1,0,0|2,0,0]=4 886 B14R2.24358 O=C(O)C1=CC2=C(C=C1)OC=C2Cl 17233 [0,1,0,1,0,0|1,0,1]=4 887 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=C2 25331 [0,1,0,1,0,0|1,0,1]=4 888 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 32307 [0,1,0,1,0,0|1,0,1]=4 889 B14R2.966 N#C[C@H](O)C1=CC2=C(C=C1)OCO2 17474 [0,1,0,1,0,0|1,0,1]=4 890 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 22975 [0,1,0,1,0,0|1,0,0]=3 891 B14R2.966 O=C(CCl)C1=CC2=C(C=C1)OCC2 29196 [0,1,0,1,0,0|2,0,0]=4 892 B14R2.966 O=CC(=O)C1=CC2=C(C=C1)OCO2 12143 [0,1,0,1,0,0|0,0,1]=3 893 B14R2.966 O[C@H](CCl)C1=CC2=C(C=C1)OCO2 15580 [0,1,0,1,0,0|1,0,1]=4 894 B14R2.2167 COC1=C(Cl)C=C2CCC(=O)C2=C1 26077 [0,1,0,1,0,0|2,0,0]=4 895 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)O1 33481 [0,1,0,1,0,0|1,0,0]=3 896 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)N1 16255 [0,1,0,1,0,0|2,0,0]=4 897 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)O1 33483 [0,1,0,1,0,0|1,0,0]=3 898 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(Cl)=C2 17234 [0,1,0,1,0,0|1,0,1]=4 899 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 9751 [0,1,0,1,0,0|1,0,0]=3 900 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 9745 [0,1,0,1,0,0|0,0,0]=2 901 B14R2.781 O=C(O)C1=CC2=C(N=C1)NCCO2 35078 [0,1,0,1,0,0|2,0,0]=4 902 B14R2.781 O=C(O)C1=CC2=NCOC=C2C=C1 15881 [0,1,0,1,0,0|1,0,0]=3 903 B14R2.781 O=C(O)C1=CN=C2OCCOC2=C1 26746 [0,1,0,1,0,0|1,0,0]=3 904 B14R2.781 OB(O)C1=CC2=C(C=C1)OCCO2 7840 [0,1,0,1,0,0|1,0,1]=4 905 B14R2.624 CC(=O)C1=C(N)C=C2OCOC2=C1 3253 [0,1,0,1,0,0|1,0,0]=3 906 B14R2.5719 O=C(O)C1=CC=C2C(=O)CCC2=C1 25744 [0,1,0,1,0,0|1,0,1]=4 907 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 7743 [1,0,0,0,1,0|2,0,0]=4 908 B10R1.194 CC1=C(C(=O)O)SC=C1Br 5272 [1,0,0,0,1,0|2,0,0]=4 909 B10R1.194 CN1C(Br)=CC=C1C(=O)O 35544 [1,0,0,0,1,0|2,0,0]=4 910 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [1,0,0,0,1,0|1,1,0]=4 911 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 19669 [1,0,0,0,0,1|0,0,0]=2 912 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 28267 [1,0,0,0,0,1|1,0,0]=3 913 B12R1.438 COC1=CC=CC(CC(O)=S)=C1 21122 [1,0,0,0,0,1|0,1,0]=3 914 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 22163 [1,0,0,0,0,1|2,0,0]=4 915 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 3321 [1,0,0,0,0,1|1,0,0]=3 916 B12R1.438 COC1=CC=CC(OC(C)=O)=C1 3063 [1,0,0,0,0,1|1,0,0]=3 917 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 10658 [1,0,0,0,0,1|1,1,0]=4 918 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 28858 [1,0,0,0,0,1|2,0,0]=4 919 B12R1.438 O=C(O)CC1=CC(CBr)=CC=C1 31428 [1,0,0,0,0,1|2,0,0]=4 920 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 33684 [1,0,0,0,0,1|2,0,0]=4 921 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 20561 [0,0,0,0,1,1|1,0,0]=3 922 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 30703 [0,0,0,0,1,1|1,0,0]=3 923 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 24655 [0,0,0,0,1,1|1,0,0]=3 924 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 32487 [0,0,0,0,1,1|1,0,0]=3 925 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 4969 [0,0,0,0,1,1|1,0,0]=3 926 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 27962 [0,0,0,0,1,1|1,0,0]=3 927 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 4934 [0,0,0,0,1,1|1,0,0]=3 928 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 27704 [0,0,0,0,1,1|0,0,0]=2 929 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 31217 [0,0,0,0,1,1|2,0,0]=4 930 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 13459 [0,0,0,0,1,1|2,0,0]=4 931 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 31215 [0,0,0,0,1,1|2,0,0]=4 932 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 19798 [0,0,0,0,1,1|1,0,1]=4 933 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O 18814 [0,0,0,0,1,1|2,0,0]=4 934 B12R1.87 COC1=C(C(=O)O)C=CC=C1Br 30470 [0,0,0,0,1,1|1,0,0]=3 935 B12R1.87 COC1=C(C(=O)O)C=CC=C1Cl 30473 [0,0,0,0,1,1|1,0,0]=3 936 B12R1.87 COC1=C(C(=O)O)C=CC=C1F 28650 [0,0,0,0,1,1|1,0,0]=3 937 B12R1.87 COC1=C(C(=O)O)C=CC=C1I 35142 [0,0,0,0,1,1|1,0,0]=3 938 B12R1.87 COC1=C(C(=O)O)C=CC=C1N 33269 [0,0,0,0,1,1|1,0,0]=3 939 B12R1.87 COC1=C(C(C)=O)C=CC=C1Br 33634 [0,0,0,0,1,1|2,0,0]=4 940 B12R1.87 COC1=C(C(C)=O)C=CC=C1O 34254 [0,0,0,0,1,1|1,0,0]=3 941 B14R1.42 COC1=C(F)C=CC(\C=C\C(=O)O)=C1 1954 [0,0,0,0,0,2|1,0,0]=3 942 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 36106 [0,0,0,0,0,2|0,0,0]=2 943 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 19446 [0,0,0,0,0,2|1,0,1]=4 944 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 8183 [0,0,0,0,0,2|0,0,0]=2 945 B14R1.42 COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 19447 [0,0,0,0,0,2|1,0,1]=4