0 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 7743 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.58 CN1N=C(C(=O)O)C=C1Br 34338 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 29050 [0,0,0,0,0,0|0,2,0]=2 3 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 7747 [0,0,0,0,0,0|0,3,0]=3 4 B9R1.23 CC1=C(C)SC(C=O)=C1 20559 [1,0,0,0,0,0|2,1,0]=4 5 B9R1.23 O=CC1=CC(Br)=C(Br)O1 4061 [1,0,0,0,0,0|0,2,0]=3 6 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [1,0,0,0,0,0|1,2,0]=4 10 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 CC1=CC(C(=O)O)=NO1 15552 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 CC1=CC=C(B(O)O)O1 17393 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [1,0,0,0,0,0|1,1,0]=3 17 B9R1.35 CC1=CN=C(C(=O)O)S1 23003 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [1,0,0,0,0,0|1,1,0]=3 20 B9R1.35 CC1=NC=C(C(=O)O)S1 22287 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.35 CC1=NNC(C(=O)O)=C1 7842 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 CN1C=CC(C(=O)O)=C1 25790 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 CN1C=NC(C(=O)O)=C1 9001 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.35 NC1=NC(C(=O)O)=CO1 19787 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 NC1=NC(C(=O)O)=CS1 8903 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.35 NC1=NC(C(=O)O)=CS1 9934 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.35 NC1=NC=C(C(=O)O)S1 21384 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [1,0,0,0,0,0|1,1,0]=3 30 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [1,0,0,0,0,0|0,2,0]=3 32 B9R1.35 O=C(O)C1=CC(Br)=NO1 17690 [1,0,0,0,0,0|1,1,0]=3 33 B9R1.35 O=C(O)C1=CC(O)=NO1 24875 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [1,0,0,0,0,0|0,2,0]=3 35 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [1,0,0,0,0,0|0,0,0]=1 36 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [1,0,0,0,0,0|0,1,0]=2 37 B9R1.35 O=C(O)C1=CN=C(Br)S1 15963 [1,0,0,0,0,0|1,2,0]=4 38 B9R1.35 O=C(O)C1=CN=C(Cl)S1 32212 [1,0,0,0,0,0|1,1,0]=3 39 B9R1.35 O=C(O)C1=CSC(Br)=N1 22900 [1,0,0,0,0,0|2,1,0]=4 40 B9R1.35 O=C(O)C1=NNC(Cl)=C1 23727 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.35 OB(O)C1=CC=C(Cl)S1 1799 [1,0,0,0,0,0|1,1,1]=4 42 B11R1.79 NS(=O)(=O)C1=CC(Cl)=C(Cl)S1 13551 [0,1,0,0,0,0|1,1,1]=4 43 B11R1.79 O=S(=O)(Cl)C1=CC(Cl)=C(Cl)S1 5523 [0,1,0,0,0,0|1,1,1]=4 44 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 19423 [0,1,0,0,0,0|2,1,0]=4 45 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [0,0,0,0,0,1|2,1,0]=4 46 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [0,0,0,0,0,1|2,1,0]=4 48 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [0,0,0,0,0,1|2,0,0]=3 49 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [0,0,0,0,0,1|2,1,0]=4 50 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [0,0,0,0,0,1|2,1,0]=4 53 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [0,0,0,0,0,1|2,1,0]=4 55 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [0,0,0,0,0,1|2,1,0]=4 56 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [0,0,0,0,0,1|2,0,0]=3 58 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 28594 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 30641 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [0,0,0,0,0,1|2,1,0]=4 62 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [0,0,0,0,0,1|2,1,0]=4 63 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [0,0,0,0,0,1|2,1,0]=4 64 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [0,0,0,0,0,1|2,1,0]=4 65 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [0,0,0,0,0,1|3,0,0]=4 67 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.21 CC1=CC(C(=O)O)=CN=C1F 5143 [0,0,0,0,0,1|2,1,0]=4 70 B11R1.21 NC(=O)C1=CC(Cl)=C(Cl)C=C1 3462 [0,0,0,0,0,1|2,0,0]=3 71 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 35464 [0,0,0,0,0,1|3,0,0]=4 72 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [0,0,0,0,0,1|2,1,0]=4 73 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [0,0,0,0,0,1|2,0,0]=3 74 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [0,0,0,0,0,1|2,1,0]=4 75 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [0,0,0,0,0,1|2,1,0]=4 76 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [0,0,0,0,0,1|2,1,0]=4 77 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [0,0,0,0,0,1|3,0,0]=4 78 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [0,0,0,0,0,1|3,0,0]=4 79 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [0,0,0,0,0,1|3,0,0]=4 80 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 26090 [0,0,0,0,0,1|2,0,0]=3 82 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 28589 [0,0,0,0,0,1|2,1,0]=4 83 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [0,0,0,0,0,1|1,2,0]=4 84 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [0,0,0,0,0,1|1,1,0]=3 85 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [0,0,0,0,0,1|1,2,0]=4 86 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [0,0,0,0,0,1|1,2,0]=4 87 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 9825 [0,0,0,0,0,1|2,1,0]=4 88 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [0,0,0,0,0,1|1,1,0]=3 89 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [0,0,0,0,0,1|1,0,0]=2 90 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [0,0,0,0,0,1|1,1,0]=3 91 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [0,0,0,0,0,1|2,0,0]=3 92 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [0,0,0,0,0,1|1,2,0]=4 93 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [0,0,0,0,0,1|1,1,0]=3 94 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [0,0,0,0,0,1|1,2,0]=4 95 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [0,0,0,0,0,1|1,2,0]=4 96 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [0,0,0,0,0,1|1,2,0]=4 97 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [0,0,0,0,0,1|2,1,0]=4 98 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [0,0,0,0,0,1|1,2,0]=4 99 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [0,0,0,0,0,1|1,1,0]=3 100 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [0,0,0,0,0,1|1,2,0]=4 101 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [0,0,0,0,0,1|1,2,0]=4 102 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [0,0,0,0,0,1|2,1,0]=4 103 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [0,0,0,0,0,1|2,1,0]=4 104 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [0,0,0,0,0,1|2,0,0]=3 105 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [0,0,0,0,0,1|2,1,0]=4 106 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [0,0,0,0,0,1|2,1,0]=4 107 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 18329 [0,0,0,0,0,1|2,1,0]=4 108 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [0,0,0,0,0,1|3,0,0]=4 109 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 29226 [0,0,0,0,0,1|1,2,0]=4 110 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=N1 29224 [0,0,0,0,0,1|1,1,0]=3 111 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 29225 [0,0,0,0,0,1|1,0,0]=2 112 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 29097 [0,0,0,0,0,1|1,1,0]=3 113 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 17514 [0,0,0,0,0,1|1,2,0]=4 114 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 24637 [0,0,0,0,0,1|1,2,0]=4 115 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 12922 [0,0,0,0,0,1|1,1,0]=3 116 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 12968 [0,0,0,0,0,1|1,0,0]=2 117 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 29238 [0,0,0,0,0,1|1,0,0]=2 118 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24638 [0,0,0,0,0,1|1,1,0]=3 119 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 21829 [0,0,0,0,0,1|1,2,0]=4 120 B11R1.21 O=C(O)C1=CN=C(F)C(Cl)=C1 36069 [0,0,0,0,0,1|1,1,0]=3 121 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 18429 [0,0,0,0,0,1|1,2,0]=4 122 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 10618 [0,0,0,0,0,1|2,0,0]=3 123 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Cl)C=C1 2562 [0,0,0,0,0,1|2,0,1]=4 124 B11R1.21 O=[N+]([O-])C1=CN=C(Cl)C(Cl)=C1 5408 [0,0,0,0,0,1|2,0,1]=4 125 B11R1.21 OB(O)C1=CC(Cl)=C(Cl)C=C1 1812 [0,0,0,0,0,1|2,0,1]=4 126 B11R1.21 OB(O)C1=CN=C(Cl)C(Cl)=C1 17070 [0,0,0,0,0,1|2,0,1]=4 127 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 3389 [0,0,0,0,0,1|2,0,0]=3 128 B11R1.74 CC(=O)c1cc(Cl)cc(Br)c1 23803 [0,0,0,0,0,1|2,1,0]=4 129 B11R1.74 CC(=O)c1cc(F)cc(Cl)c1 28236 [0,0,0,0,0,1|2,1,0]=4 130 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 30472 [0,0,0,0,0,1|2,1,0]=4 131 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 14397 [0,0,0,0,0,1|3,0,0]=4 132 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 17665 [0,0,0,0,0,1|2,0,0]=3 133 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 1396 [0,0,0,0,0,1|2,1,0]=4 134 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 18175 [0,0,0,0,0,1|3,0,0]=4 135 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 15440 [0,0,0,0,0,1|3,0,0]=4 136 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 4979 [0,0,0,0,0,1|3,0,0]=4 137 B11R1.74 CC1=NC(=O)C=C(C(=O)O)N1 32234 [0,0,0,0,0,1|3,0,0]=4 138 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 30637 [0,0,0,0,0,1|2,1,0]=4 139 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 32194 [0,0,0,0,0,1|3,0,0]=4 140 B11R1.74 NC1=CC(Cl)=CC(C(=O)O)=C1 10455 [0,0,0,0,0,1|2,0,0]=3 141 B11R1.74 NC1=CC(F)=CC(C(=O)O)=C1 28526 [0,0,0,0,0,1|2,1,0]=4 142 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 21025 [0,0,0,0,0,1|3,0,0]=4 143 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 17213 [0,0,0,0,0,1|3,0,0]=4 144 B11R1.74 O=C(Cl)C1=CC(Cl)=CC(Cl)=C1 10805 [0,0,0,0,0,1|2,0,0]=3 145 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 3861 [0,0,0,0,0,1|1,2,0]=4 146 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 13461 [0,0,0,0,0,1|1,1,0]=3 147 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 2154 [0,0,0,0,0,1|1,2,0]=4 148 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 3788 [0,0,0,0,0,1|1,2,0]=4 149 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 27678 [0,0,0,0,0,1|2,1,0]=4 150 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 11161 [0,0,0,0,0,1|1,2,0]=4 151 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 28613 [0,0,0,0,0,1|1,0,0]=2 152 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 1373 [0,0,0,0,0,1|1,1,0]=3 153 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 3650 [0,0,0,0,0,1|1,1,0]=3 154 B11R1.74 O=C(O)C1=CC(Cl)=CC(O)=C1 30474 [0,0,0,0,0,1|2,0,0]=3 155 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 9235 [0,0,0,0,0,1|1,0,0]=2 156 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 2173 [0,0,0,0,0,1|1,2,0]=4 157 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 28646 [0,0,0,0,0,1|1,2,0]=4 158 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 30475 [0,0,0,0,0,1|2,1,0]=4 159 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 14394 [0,0,0,0,0,1|1,2,0]=4 160 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 3839 [0,0,0,0,0,1|1,2,0]=4 161 B11R1.74 O=C(O)C1=CC(O)=CC(I)=C1 17219 [0,0,0,0,0,1|2,1,0]=4 162 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 9162 [0,0,0,0,0,1|3,0,0]=4 163 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 36058 [0,0,0,0,0,1|3,0,0]=4 164 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 33329 [0,0,0,0,0,1|1,2,0]=4 165 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 33330 [0,0,0,0,0,1|1,1,0]=3 166 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 33328 [0,0,0,0,0,1|1,1,0]=3 167 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 22101 [0,0,0,0,0,1|2,0,0]=3 168 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 36034 [0,0,0,0,0,1|1,0,0]=2 169 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 22281 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.74 O=[N+]([O-])C1=CC(Cl)=CC(Cl)=C1 3695 [0,0,0,0,0,1|2,0,1]=4 171 B11R1.74 OB(O)C1=CC(Cl)=CC(Cl)=C1 1817 [0,0,0,0,0,1|2,0,1]=4 172 B8R0.28 O=C(O)\C=C\CC(=O)O 35121 [1,0,1,0,0,0|1,0,1]=4 173 B8R1.1 CC1=CC=C(C=O)O1 9971 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.1 CC1=CC=C(C=O)S1 5205 [2,0,0,0,0,0|1,1,0]=4 175 B8R1.1 CC1=CC=C(CO)O1 9804 [2,0,0,0,0,0|1,0,1]=4 176 B8R1.1 O=CC1=CC(Br)=CO1 3545 [2,0,0,0,0,0|0,1,0]=3 177 B8R1.1 O=CC1=CC(Br)=CS1 5188 [2,0,0,0,0,0|0,2,0]=4 178 B8R1.1 O=CC1=CC=C(Br)O1 27066 [2,0,0,0,0,0|0,1,0]=3 179 B8R1.1 O=CC1=CC=C(Br)S1 10834 [2,0,0,0,0,0|0,2,0]=4 180 B8R1.1 O=CC1=CC=C(Br)S1 16744 [2,0,0,0,0,0|0,2,0]=4 181 B8R1.1 O=CC1=CC=C(Cl)S1 7742 [2,0,0,0,0,0|0,1,0]=3 182 B8R1.1 O=CC1=CN=C(Cl)S1 24698 [2,0,0,0,0,0|1,1,0]=4 183 B8R1.18 CC1=CC(=O)OC1=O 35240 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.7 CC(=O)C1=CC=CN1 20915 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.7 CC(=O)C1=CC=CO1 6939 [2,0,0,0,0,0|1,0,0]=3 186 B8R1.7 CC(=O)C1=CC=CS1 5172 [2,0,0,0,0,0|1,1,0]=4 187 B8R1.7 CC(=O)C1=NC=CO1 23008 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [2,0,0,0,0,0|1,0,0]=3 189 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [2,0,0,0,0,0|1,1,0]=4 190 B8R1.7 O=C(O)C1=CC=CN1 15698 [2,0,0,0,0,0|1,0,0]=3 191 B8R1.7 O=C(O)C1=CC=CO1 6946 [2,0,0,0,0,0|0,0,0]=2 192 B8R1.7 O=C(O)C1=CC=CS1 5157 [2,0,0,0,0,0|0,1,0]=3 193 B8R1.7 O=C(O)C1=CC=NN1 12935 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.7 O=C(O)C1=CC=NN1 35926 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.7 O=C(O)C1=CC=NO1 8643 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.7 O=C(O)C1=CC=NS1 30427 [2,0,0,0,0,0|1,1,0]=4 197 B8R1.7 O=C(O)C1=CN=CN1 9003 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.7 O=C(O)C1=CN=CS1 14533 [2,0,0,0,0,0|1,1,0]=4 199 B8R1.7 O=C(O)C1=CNC=C1 8345 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.7 O=C(O)C1=COC=C1 6945 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.7 O=C(O)C1=COC=N1 11025 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.7 O=C(O)C1=CSC=C1 7735 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.7 O=C(O)C1=CSC=N1 35764 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.7 O=C(O)C1=NC=CN1 25373 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.7 O=C(O)C1=NC=CS1 16257 [2,0,0,0,0,0|1,1,0]=4 206 B8R1.7 O=C(O)C1=NOC=C1 12341 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.7 O=C(O)C1=NSC=C1 22100 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [2,0,0,0,0,0|1,0,1]=4 209 B8R1.7 O=C([O-])C1=CC=CS1 32366 [2,0,0,0,0,0|0,1,1]=4 210 B8R1.7 OB(O)C1=CC=CO1 2182 [2,0,0,0,0,0|1,0,1]=4 211 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [1,1,0,0,0,0|1,1,0]=4 212 B10R1.14 COC(=O)C1=CC(O)=NO1 25470 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [1,1,0,0,0,0|0,1,0]=3 214 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [1,1,0,0,0,0|1,1,0]=4 215 B10R1.14 COC(=O)c1cnc(C)o1 23889 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 16134 [1,1,0,0,0,0|1,1,0]=4 217 B10R1.31 CC(=O)C1=CC=C(CO)O1 24280 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [1,1,0,0,0,0|1,1,0]=4 219 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 10101 [1,1,0,0,0,0|0,2,0]=4 220 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 23985 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 17689 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 22346 [1,1,0,0,0,0|1,1,0]=4 223 B10R1.194 CC1=C(C(=O)O)SC=C1Br 5272 [1,1,0,0,0,0|0,2,0]=4 224 B10R1.194 CN1C(Br)=CC=C1C(=O)O 35544 [1,1,0,0,0,0|1,1,0]=4 225 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [0,1,0,0,0,1|2,0,0]=4 226 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [0,1,0,0,0,1|2,0,0]=4 227 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 30603 [0,1,0,0,0,1|2,0,0]=4 228 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [0,1,0,0,0,1|2,0,0]=4 229 B12R1.232 CC1=CC(C(=O)O)=C(N)C=C1Cl 15932 [0,1,0,0,0,1|2,0,0]=4 230 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1Cl 30698 [0,1,0,0,0,1|2,0,0]=4 231 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Cl 23768 [0,1,0,0,0,1|2,0,0]=4 232 B12R1.232 NC(=O)C1=C(Cl)N=C(Cl)C(Cl)=C1 32287 [0,1,0,0,0,1|2,0,0]=4 233 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 19833 [0,1,0,0,0,1|1,1,0]=4 234 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Cl)=C1 4657 [0,1,0,0,0,1|1,0,0]=3 235 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 30560 [0,1,0,0,0,1|1,1,0]=4 236 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 28514 [0,1,0,0,0,1|2,0,0]=4 237 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(Cl)=C1 30480 [0,1,0,0,0,1|1,1,0]=4 238 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 1338 [0,1,0,0,0,1|1,1,0]=4 239 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(Cl)=C1 31953 [0,1,0,0,0,1|1,0,0]=3 240 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(F)=C1 10943 [0,1,0,0,0,1|1,1,0]=4 241 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 3556 [0,1,0,0,0,1|1,1,0]=4 242 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 4615 [0,1,0,0,0,1|1,0,0]=3 243 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 1367 [0,1,0,0,0,1|1,1,0]=4 244 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Cl)=C1 1343 [0,1,0,0,0,1|1,1,0]=4 245 B12R1.232 O=C(O)C1=C(O)C=C(F)C(Cl)=C1 30645 [0,1,0,0,0,1|1,1,0]=4 246 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 29293 [0,1,0,0,0,1|2,0,0]=4 247 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 3710 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 10935 [0,1,0,0,0,1|2,0,0]=4 249 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 10804 [0,1,0,0,0,1|2,0,0]=4 250 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 30511 [0,1,0,0,0,1|2,0,0]=4 251 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 26806 [0,1,0,0,0,1|2,0,0]=4 252 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 12980 [0,1,0,0,0,1|1,1,0]=4 253 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 24636 [0,1,0,0,0,1|1,1,0]=4 254 B12R1.367 COC(=O)C1=NC(C)=C(Cl)N=C1 24151 [0,1,0,0,0,1|2,0,0]=4 255 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 3262 [0,1,0,0,0,1|2,0,0]=4 256 B12R1.367 O=C(CCl)C1=CC(Cl)=C(Cl)C=C1 20021 [0,1,0,0,0,1|2,0,0]=4 257 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 29277 [0,1,0,0,0,1|1,0,0]=3 258 B12R1.367 O=CC(=O)C1=CC(Cl)=C(Cl)C=C1 12332 [0,1,0,0,0,1|1,0,1]=4 259 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl 17205 [0,1,0,0,0,1|1,0,0]=3 260 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(F)C=C1 4613 [0,1,0,0,0,1|1,1,0]=4 261 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 2217 [0,1,0,0,0,1|1,1,0]=4 262 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 4744 [0,1,0,0,0,1|1,1,0]=4 263 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 30468 [0,1,0,0,0,1|2,0,0]=4 264 B12R1.1005 CC1=CC(C(=O)O)=CC(Cl)=C1N 13409 [0,1,0,0,0,1|2,0,0]=4 265 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 17129 [0,1,0,0,0,1|1,0,0]=3 266 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl 14451 [0,1,0,0,0,1|2,0,0]=4 267 B12R1.1005 O=C(O)C1=CC(Br)=C(Cl)C(Cl)=C1 30751 [0,1,0,0,0,1|1,0,0]=3 268 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 28693 [0,1,0,0,0,1|1,0,0]=3 269 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(Cl)=C1 1378 [0,1,0,0,0,1|1,1,0]=4 270 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 4741 [0,1,0,0,0,1|1,1,0]=4 271 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(Cl)=C1 3689 [0,1,0,0,0,1|2,0,0]=4 272 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 34859 [0,1,0,0,0,1|2,0,0]=4 273 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=C1 14017 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.358 CCC(=O)c1cc(Cl)cc(Cl)c1 28264 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.358 COC(=O)C1=CC(Cl)=CC(C)=C1 16464 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 29315 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 17060 [0,1,0,0,0,1|2,0,0]=4 278 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=N1 23452 [0,1,0,0,0,1|1,0,0]=3 279 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=C1 30654 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.358 O=C(CBr)C1=CC(Cl)=CC(Cl)=C1 31209 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.511 CC(=O)C1=C(F)C(Cl)=CC(Cl)=C1 10163 [0,1,0,0,0,1|2,0,0]=4 282 B12R1.511 CC(=O)C1=C(N)C(Cl)=NC(Cl)=C1 9816 [0,1,0,0,0,1|2,0,0]=4 283 B12R1.511 O=C(O)C1=C(F)C(Cl)=CC(Cl)=C1 28616 [0,1,0,0,0,1|1,0,0]=3 284 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(F)=C1 19395 [0,1,0,0,0,1|1,1,0]=4 285 B12R1.511 O=C(O)C1=CC(Cl)=CC(Cl)=C1O 28619 [0,1,0,0,0,1|1,0,0]=3 286 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [0,0,1,1,0,0|2,0,0]=4 287 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [0,0,1,1,0,0|2,0,0]=4 288 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [0,0,1,1,0,0|2,0,0]=4 289 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [0,0,1,1,0,0|2,0,0]=4 290 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 21879 [0,0,1,1,0,0|2,0,0]=4 291 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [0,0,1,1,0,0|2,0,0]=4 292 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 23631 [0,0,1,1,0,0|2,0,0]=4 293 B10R1.118 OC1=C(Cl)C=C(Cl)C(Cl)=C1 12933 [0,0,1,1,0,0|2,0,0]=4 294 B10R1.118 OC1=NC(Cl)=C(Cl)C=C1Cl 2379 [0,0,1,1,0,0|2,0,0]=4 295 B10R1.8 CC1=CC(C=O)=CC(Cl)=C1 17203 [1,0,0,0,0,1|2,0,0]=4 296 B10R1.8 CC1=NC(Cl)=CC(C=O)=N1 34574 [1,0,0,0,0,1|2,0,0]=4 297 B10R1.8 O=CC1=CC(Br)=CC(Cl)=C1 10436 [1,0,0,0,0,1|1,1,0]=4 298 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 3068 [1,0,0,0,0,1|1,0,0]=3 299 B10R1.8 O=CC1=CC(Cl)=CC(F)=C1 2890 [1,0,0,0,0,1|1,1,0]=4 300 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 30901 [1,0,0,0,0,1|2,0,0]=4 301 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 19581 [1,0,0,0,0,1|1,0,0]=3 302 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 4908 [1,0,0,0,0,1|1,0,1]=4 303 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 31765 [0,0,0,0,0,2|1,1,0]=4 304 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 31528 [0,0,0,0,0,2|1,1,0]=4 305 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 20195 [0,0,0,0,0,2|1,0,0]=3 306 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 4260 [0,0,0,0,0,2|1,1,0]=4 307 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 12996 [0,0,0,0,0,2|2,0,0]=4 308 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 4301 [0,0,0,0,0,2|1,1,0]=4 309 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 24116 [0,0,0,0,0,2|1,0,0]=3 310 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 4266 [0,0,0,0,0,2|1,1,0]=4