0 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 35564 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 13627 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 30507 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 12369 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 20353 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.77 COC(=O)C1=CC=CN=C1C#N 19311 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.77 COC(=O)C1=CN=CC=C1OC 33526 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.77 COC(=O)c1ccccc1C#N 24574 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.77 COc1ccccc1C(=O)CN 20067 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.41 CCOC1=C(OC)C=CC=C1 3067 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.41 COC1=C(CC=O)C=CC=C1 17222 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.41 COC1=C(CCN)C=CC=C1 23973 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.41 COC1=C(CCO)C=CC=C1 24377 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 19668 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 19789 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.53 CCC1=C(B(O)O)C=CC=C1 14050 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 9869 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.53 CCC1=NC=CN=C1C(C)=O 8615 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.53 COC1=C(B(O)O)C=CC=C1 1865 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.53 COC1=C(B(O)O)C=CN=C1 23549 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.53 COC1=C(B(O)O)C=NC=C1 34816 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.53 COC1=C(B(O)O)C=NC=C1 6432 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.53 COC1=C(C(=O)O)C=CC=C1 18488 [1,0,0,0,0,0|0,0,0]=1 23 B11R1.53 COC1=C(C(=O)O)C=CC=N1 20354 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.53 COC1=C(C(=O)O)C=CN=C1 10457 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.53 COC1=C(C(C)=O)C=CC=C1 4278 [1,0,0,0,0,0|0,0,0]=1 26 B11R1.53 COC1=C(C(C)=O)C=NC=C1 33637 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.53 COC1=C(C(C)O)C=CC=C1 25006 [1,0,0,0,0,0|0,0,2]=3 28 B11R1.53 COC1=C(C(N)=S)C=CC=C1 35098 [1,0,0,0,0,0|1,1,0]=3 29 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 24748 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 24747 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.53 COC1=C([N+](=O)[O-])C=CC=C1 9645 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 14990 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 6689 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.53 COC1=CC=CC=C1C(=O)Cl 26362 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.53 COC1=CC=CN=C1B(O)O 24108 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] 3990 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.53 COC1=CC=NC=C1C(=O)O 33397 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.53 COC1=NC=CC=C1B(O)O 5046 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.53 COC1=NC=CC=C1C(C)=O 27866 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] 6593 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.53 COC1=NC=CN=C1C(=O)O 27950 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 10324 [1,0,0,0,0,0|0,1,0]=2 43 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 2110 [1,0,0,0,0,0|1,1,1]=4 44 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 12513 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 34217 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.53 N#CC1=C(C(=O)O)C=CN=C1 34418 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 6411 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.53 O=C(O)c1ccccc1CBr 23937 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 7365 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 15000 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 3956 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 17290 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.222 COC(=O)C1=C(C)N=CC=C1 2218 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 3707 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 15917 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.222 COC(=O)C1=C(F)C=CC=C1 3565 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.222 COC(=O)C1=C(F)N=CC=C1 10628 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.222 COC(=O)C1=C(I)C=CC=C1 10568 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.222 COC(=O)C1=C(N)C=NC=C1 9599 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.222 COC(=O)C1=C(N)C=NC=C1 9760 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.222 COC(=O)C1=C(N)N=CC=C1 16778 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.222 COC(=O)C1=CC=CC=C1C 15492 [1,0,0,0,0,0|0,0,0]=1 65 B11R1.222 COC(=O)C1=CC=CC=C1N 13629 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.222 COC(=O)C1=CC=CC=C1S 10565 [1,0,0,0,0,0|0,1,0]=2 67 B11R1.222 COC(=O)C1=CC=CN=C1Br 14383 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.222 COC(=O)C1=CC=CNC1=O 19579 [1,0,0,0,0,0|1,0,1]=3 69 B11R1.222 COC(=O)C1=CN=CC=C1C 21351 [1,0,0,0,0,0|1,0,0]=2 70 B11R1.222 COC(=O)C1=CN=CC=C1N 25347 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.222 COC(=O)C1=CN=CN=C1O 21479 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.222 COC(=O)C1=NC=CC=C1Cl 32244 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.222 COC(=O)C1=NC=CC=C1O 25563 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.222 COC(=O)C1=NC=CN=C1Br 32147 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.222 COC(=O)C1=NC=CN=C1Cl 32119 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.222 COC(=O)C1=NC=CN=C1I 32125 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.222 COC(=O)C1=NC=CN=C1N 8549 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.222 NC1=C(C(=O)CBr)C=CC=C1 29244 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 3742 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 3481 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.222 NNC(=O)C1=CC=CC=C1O 22912 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 16835 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.222 O=C(CBr)c1ccccc1Cl 11080 [1,0,0,0,0,0|3,0,0]=4 86 B13R1.89 CSC1=C(C(=O)C(C)C)C=CC=C1 27413 [0,1,0,0,0,0|1,1,0]=3 87 B13R1.92 COC1=NC=CC=C1C(OC)OC 16573 [0,1,0,0,0,0|1,0,2]=4 88 B13R1.107 COC(=O)C1=C(CBr)C(Br)=CC=C1 20308 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.107 COC(=O)C1=C(CBr)C(Cl)=CC=C1 30499 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.382 COC(=O)C1=C(CC#N)C=CC=C1 30505 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.382 COC(=O)c1ccccc1CCN 28521 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.464 CCOC(=O)C1=C(CBr)C=CC=C1 19620 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.464 CCOC(=O)C1=C(CCl)C=CC=C1 17596 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.464 COC1=C(C(=O)CC#N)C=CC=C1 12069 [0,1,0,0,0,0|1,0,1]=3 95 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 25147 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.2065 COC(=O)C1=C(C#N)C=C(Br)C=C1 30664 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.2065 COC(=O)C1=C(C#N)C=C(C)C=C1 30652 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.2065 COC(=O)C1=C(C#N)C=C(F)C=C1 30503 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.2065 COC(=O)C1=C(C#N)C=C(N)C=C1 30663 [0,1,0,0,0,0|2,0,0]=3 100 B13R1.2065 COC(=O)C1=C(CBr)C=C(Br)C=C1 28543 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.2065 COC(=O)C1=C(CBr)C=C(Cl)C=C1 30500 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.2065 COC(=O)C1=C(CBr)C=C(F)C=C1 30651 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.2065 COC(=O)C1=C(OC)C=C(Br)C=C1 16069 [0,1,0,0,0,0|0,0,0]=1 104 B13R1.2065 COC(=O)C1=C(OC)C=C(C)C=C1 30553 [0,1,0,0,0,0|0,0,0]=1 105 B13R1.2065 COC(=O)C1=C(OC)C=C(I)C=C1 4974 [0,1,0,0,0,0|0,0,0]=1 106 B13R1.2065 COC(=O)C1=C(OC)C=C(N)C=C1 4712 [0,1,0,0,0,0|0,0,0]=1 107 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 34852 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.2209 CCC1=C(C(=O)OC)C=C(Br)C=C1 30696 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.2209 CNc1ccc(Br)cc1C(=O)OC 30549 [0,1,0,0,0,0|1,0,0]=2 110 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Cl)=C1 28583 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.2209 COC(=O)C1=C(C=O)C=CC(Cl)=C1 17784 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.2209 COC(=O)C1=C(CBr)C=CC(Br)=C1 35089 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.2209 COC(=O)C1=C(CBr)C=CC(Cl)=C1 30502 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.2209 COC(=O)C1=C(CN)C=CC(Br)=C1 30679 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.2209 COC(=O)C1=C(OC)C=CC(C)=C1 30755 [0,1,0,0,0,0|0,0,0]=1 116 B13R1.2209 COC(=O)C1=C(OC)C=CC(Cl)=C1 3709 [0,1,0,0,0,0|0,0,0]=1 117 B13R1.2209 COC(=O)C1=C(OC)C=CC(N)=C1 14066 [0,1,0,0,0,0|0,0,0]=1 118 B13R1.2209 COC(=O)C1=C(OC)N=CC(Br)=C1 22054 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.2209 COC1=C(C(=O)CBr)C=C(Br)C=C1 29256 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.2209 COc1ccc(F)cc1C(=O)CBr 27551 [0,1,0,0,0,0|2,0,0]=3 121 B13R1.2357 COC(=O)C1=C(Br)C=CC=C1C#N 30736 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.2357 COC(=O)C1=C(C#N)C=CC=C1F 30504 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1Cl 19634 [0,1,0,0,0,0|2,0,0]=3 124 B13R1.2357 COC(=O)C1=C(F)C=CC=C1OC 28649 [0,1,0,0,0,0|0,0,0]=1 125 B13R2.371 CC1CCC(=O)C2=CC=CC=C21 11038 [0,0,0,1,0,0|2,0,0]=3 126 B13R2.582 COC1=CC=CC2=C1C(=O)CO2 17994 [0,0,0,1,0,0|2,0,0]=3 127 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 13787 [0,0,0,1,0,0|2,0,0]=3 128 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 17356 [0,0,0,1,0,0|2,0,0]=3 129 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 25332 [0,0,0,1,0,0|3,0,0]=4 130 B11R1.59 COC(=O)C1=C(C=O)C=CS1 34755 [0,0,0,0,1,0|3,0,0]=4 131 B11R1.59 COC(=O)C1=C(CBr)OC=C1 26386 [0,0,0,0,1,0|3,0,0]=4 132 B13R1.91 CNC(C)CC1=C(OC)C=CC=C1 23372 [0,0,0,0,0,1|2,0,1]=4 133 B13R1.91 CNC(C)CC1=C(OC)C=CC=C1 23390 [0,0,0,0,0,1|2,0,1]=4 134 B13R1.91 COC(=O)CC1=C(C#N)C=CC=C1 28856 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.20 CCC1=C(C=O)C=CC=C1 3074 [2,0,0,0,0,0|1,0,0]=3 140 B10R1.20 COC1=C(C#N)C=CC=C1 4812 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.20 COC1=C(C=O)C=CC=C1 7413 [2,0,0,0,0,0|0,0,0]=2 142 B10R1.20 COC1=C(C=O)C=CN=C1 33676 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.20 COC1=C(C=O)C=NC=C1 15264 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.20 COC1=C(CBr)C=CC=C1 14738 [2,0,0,0,0,0|1,0,1]=4 145 B10R1.20 COC1=C(CCl)C=CC=C1 4651 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.20 COC1=C(CN)C=CC=C1 7402 [2,0,0,0,0,0|1,0,1]=4 147 B10R1.20 COC1=C(CO)C=CC=C1 7736 [2,0,0,0,0,0|0,0,1]=3 148 B10R1.20 COC1=C(NN)C=CC=C1 16110 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.20 COC1=C(NN)C=CC=C1 4496 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.20 COC1=C(OC)C=CC=C1 15018 [2,0,0,0,0,0|0,0,0]=2 151 B10R1.20 COC1=C(SC)C=CC=C1 10651 [2,0,0,0,0,0|0,1,0]=3 152 B10R1.20 COC1=CC=CN=C1CO 24107 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.20 COC1=CC=CN=C1OC 2412 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.20 COC1=NC=CC=C1C=O 15124 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.20 CSC1=C(C=O)C=CC=C1 10676 [2,0,0,0,0,0|0,1,0]=3 156 B10R1.20 N#CC1=C(C=O)C=CC=C1 7409 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [2,0,0,0,0,0|0,0,0]=2 159 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [2,0,0,0,0,0|0,0,0]=2 164 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [2,0,0,0,0,0|1,0,1]=4 168 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.61 CC(=O)C1=NC=CN=C1C 8616 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.61 CC1=C(B(O)O)C=CC=C1 1871 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [2,0,0,0,0,0|0,1,0]=3 177 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [2,0,0,0,0,0|1,0,0]=3 178 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [2,0,0,0,0,0|0,0,0]=2 179 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [2,0,0,0,0,0|1,0,0]=3 198 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [2,0,0,0,0,0|1,0,0]=3 203 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [2,0,0,0,0,0|1,0,0]=3 209 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [2,0,0,0,0,0|1,1,0]=4 211 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [2,0,0,0,0,0|0,1,0]=3 212 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.61 O=C(O)C1=NC=CN=C1O 8870 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [2,0,0,0,0,0|1,0,1]=4 221 B10R1.61 OB(O)C1=C(O)C=CC=C1 9522 [2,0,0,0,0,0|1,0,1]=4 222 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [2,0,0,0,0,0|1,0,1]=4 223 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [2,0,0,0,0,0|1,0,0]=3 226 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [2,0,0,0,0,0|1,0,0]=3 227 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.15 NNC(=O)c1ccccc1 21535 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [2,0,0,0,0,0|2,0,0]=4 240 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 23387 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 3319 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.121 COC1=C(OCCBr)C=CC=C1 3133 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.121 COC1=C(OCCN)C=CC=C1 20696 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.121 COC1=C(OCCN)C=CC=C1 20697 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.169 CCOC1=C(OCC)C=CC=C1 27087 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.46 CCC1=C(C(=O)O)C=C(Br)C=C1 30676 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.46 COC1=C(B(O)O)C=C(Br)C=C1 26025 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.46 COC1=C(B(O)O)C=C(C)C=C1 23333 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.46 COC1=C(B(O)O)C=C(Cl)C=C1 1782 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.46 COC1=C(B(O)O)C=C(F)C=C1 1851 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.46 COC1=C(C(=O)Cl)C=C(Cl)C=C1 2109 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 2676 [1,1,0,0,0,0|0,0,0]=2 253 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=N1 16564 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 2680 [1,1,0,0,0,0|0,0,0]=2 255 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=N1 26868 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.46 COC1=C(C(=O)O)C=C(F)C=C1 2677 [1,1,0,0,0,0|0,0,0]=2 257 B12R1.46 COC1=C(C(=O)O)C=C(F)C=N1 10625 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 29263 [1,1,0,0,0,0|0,0,0]=2 259 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 35096 [1,1,0,0,0,0|0,0,0]=2 260 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 33633 [1,1,0,0,0,0|0,0,0]=2 261 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 29154 [1,1,0,0,0,0|0,0,0]=2 262 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 44855 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.46 COC1=C([N+](=O)[O-])C=C(Br)C=C1 5341 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.46 COC1=C([N+](=O)[O-])C=C(C)C=C1 13079 [1,1,0,0,0,0|1,0,1]=4 265 B12R1.46 COC1=C([N+](=O)[O-])C=C(Cl)C=C1 2626 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.46 COC1=C([N+](=O)[O-])C=C(F)C=C1 1966 [1,1,0,0,0,0|1,0,1]=4 267 B12R1.46 COC1=C([N+](=O)[O-])C=C(N)C=C1 14815 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.46 COC1=C([N+](=O)[O-])C=C(O)C=C1 20534 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.46 N#CC1=C(C(=O)O)C=C(Br)C=C1 28551 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.46 N#CC1=C(C(=O)O)C=C(F)C=C1 4599 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.46 O=CC1=C(C(=O)O)C=C(Cl)C=C1 16943 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.57 CC1=CC(C#N)=C(C(=O)O)C=C1 30634 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.57 COC1=C(B(O)O)C=CC(C)=C1 33213 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.57 COC1=C(B(O)O)C=CC(Cl)=C1 29629 [1,1,0,0,0,0|1,0,1]=4 275 B12R1.57 COC1=C(B(O)O)C=CC(F)=C1 19716 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 20561 [1,1,0,0,0,0|0,0,0]=2 277 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 30703 [1,1,0,0,0,0|0,0,0]=2 278 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 24655 [1,1,0,0,0,0|0,0,0]=2 279 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 32487 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 4969 [1,1,0,0,0,0|0,0,0]=2 281 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 27962 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 4934 [1,1,0,0,0,0|0,0,0]=2 283 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 27704 [1,1,0,0,0,0|0,0,0]=2 284 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 31217 [1,1,0,0,0,0|0,0,0]=2 285 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 13459 [1,1,0,0,0,0|0,0,0]=2 286 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 31215 [1,1,0,0,0,0|0,0,0]=2 287 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Br)=C1 28358 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 21674 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 4104 [1,1,0,0,0,0|1,0,1]=4 290 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 4140 [1,1,0,0,0,0|1,0,1]=4 291 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 23901 [1,1,0,0,0,0|1,0,1]=4 292 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 19798 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O 18814 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] 26673 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.57 N#CC1=C(C(=O)O)C=CC(Br)=C1 30640 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.57 N#CC1=C(C(=O)O)C=CC(N)=C1 30727 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.76 COC1=C(S(C)(=O)=O)C=NC=C1 6688 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.87 COC1=C(B(O)O)C=CC=C1C 33457 [1,1,0,0,0,0|1,0,1]=4 299 B12R1.87 COC1=C(B(O)O)C=CC=C1Cl 8535 [1,1,0,0,0,0|1,0,1]=4 300 B12R1.87 COC1=C(B(O)O)C=CC=C1F 1849 [1,1,0,0,0,0|1,0,1]=4 301 B12R1.87 COC1=C(Br)C=CC=C1[N+](=O)[O-] 16795 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.87 COC1=C(C(=O)O)C=CC=C1Br 30470 [1,1,0,0,0,0|0,0,0]=2 303 B12R1.87 COC1=C(C(=O)O)C=CC=C1Cl 30473 [1,1,0,0,0,0|0,0,0]=2 304 B12R1.87 COC1=C(C(=O)O)C=CC=C1F 28650 [1,1,0,0,0,0|0,0,0]=2 305 B12R1.87 COC1=C(C(=O)O)C=CC=C1I 35142 [1,1,0,0,0,0|0,0,0]=2 306 B12R1.87 COC1=C(C(=O)O)C=CC=C1N 33269 [1,1,0,0,0,0|0,0,0]=2 307 B12R1.87 COC1=C(C(C)=O)C=CC=C1Br 33634 [1,1,0,0,0,0|0,0,0]=2 308 B12R1.87 COC1=C(C(C)=O)C=CC=C1O 34254 [1,1,0,0,0,0|0,0,0]=2 309 B12R1.87 COC1=C(Cl)C=CC=C1[N+](=O)[O-] 26285 [1,1,0,0,0,0|1,0,1]=4 310 B12R1.87 COC1=C(F)C=CC=C1[N+](=O)[O-] 10683 [1,1,0,0,0,0|1,0,1]=4 311 B12R1.87 COC1=C(N)C=CC=C1[N+](=O)[O-] 25733 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 5373 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 24179 [1,1,0,0,0,0|1,0,0]=3 314 B12R1.261 CC(C)C1=C(C(=O)O)C=CC=C1 19980 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 5201 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.261 O=C(O)C1=C(C(F)F)C=CC=C1 30464 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 13864 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 22385 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O 35845 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.437 CCC1=C(C(=O)O)C(F)=CC=C1 19695 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.437 CCC1=C(C(=O)O)C(O)=CC=C1 19709 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.437 CCC1=CC=CC(N)=C1C(N)=O 19694 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.437 COC1=C(C(=O)O)C(C)=CC=C1 25223 [1,1,0,0,0,0|0,0,0]=2 324 B12R1.437 COC1=C(C(=O)O)C(O)=CC=C1 18380 [1,1,0,0,0,0|0,0,0]=2 325 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 34134 [1,1,0,0,0,0|0,0,0]=2 326 B12R1.437 COC1=C([N+](=O)[O-])C(C)=CC=C1 12903 [1,1,0,0,0,0|1,0,1]=4 327 B12R1.437 COC1=CC=CC(Br)=C1C(=O)O 11265 [1,1,0,0,0,0|0,0,0]=2 328 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O 33635 [1,1,0,0,0,0|0,0,0]=2 329 B12R1.437 COC1=CC=CC(Br)=C1[N+](=O)[O-] 25239 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.437 COC1=CC=CC(C)=C1C(N)=O 28776 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.437 COC1=CC=CC(Cl)=C1B(O)O 32656 [1,1,0,0,0,0|1,0,1]=4 332 B12R1.437 COC1=CC=CC(Cl)=C1C(=O)O 33426 [1,1,0,0,0,0|0,0,0]=2 333 B12R1.437 COC1=CC=CC(Cl)=C1C(N)=O 19927 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.437 COC1=CC=CC(F)=C1B(O)O 29577 [1,1,0,0,0,0|1,0,1]=4 335 B12R1.437 COC1=CC=CC(F)=C1C(=O)O 4967 [1,1,0,0,0,0|0,0,0]=2 336 B12R1.437 COC1=CC=CC(F)=C1C(C)=O 29153 [1,1,0,0,0,0|0,0,0]=2 337 B12R1.437 COC1=CC=CC(F)=C1[N+](=O)[O-] 33415 [1,1,0,0,0,0|1,0,1]=4 338 B12R1.437 COC1=CC=CC(N)=C1C(=O)O 4706 [1,1,0,0,0,0|0,0,0]=2 339 B12R1.437 COC1=CC=CC(N)=C1[N+](=O)[O-] 33265 [1,1,0,0,0,0|1,0,1]=4 340 B12R1.437 COC1=CC=CC(O)=C1C(C)=O 16677 [1,1,0,0,0,0|0,0,0]=2 341 B12R1.437 N#CC1=CC=CC(Br)=C1C(=O)O 30723 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.24 CCC(=O)C1=C(Br)C(F)=CC=C1 34290 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.24 CNC(=O)C1=C(C)C(N)=CC=C1 33812 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 3966 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.24 COC(=O)C1=C(Br)C(I)=CC=C1 30680 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.24 COC(=O)C1=C(Br)C(N)=CC=C1 30620 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.24 COC(=O)C1=C(C)C(Br)=CC=C1 20307 [1,1,0,0,0,0|0,0,0]=2 348 B12R1.24 COC(=O)C1=C(C)C(C)=CC=C1 30575 [1,1,0,0,0,0|0,0,0]=2 349 B12R1.24 COC(=O)C1=C(C)C(Cl)=CC=C1 30656 [1,1,0,0,0,0|0,0,0]=2 350 B12R1.24 COC(=O)C1=C(C)C(N)=CC=C1 4978 [1,1,0,0,0,0|0,0,0]=2 351 B12R1.24 COC(=O)C1=C(C)C(O)=CC=C1 30661 [1,1,0,0,0,0|0,0,0]=2 352 B12R1.24 COC(=O)C1=C(Cl)C(C)=CC=C1 30754 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.24 COC(=O)C1=C(F)C(Br)=CC=C1 21940 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.24 COC(=O)C1=C(F)C(C)=CC=C1 25286 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.24 COC(=O)C1=C(F)C(Cl)=NC=C1 17056 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.24 COC(=O)C1=C(F)C(F)=CC=C1 32214 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.24 COC(=O)C1=C(F)C(I)=CC=C1 30683 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.24 COC(=O)C1=C(F)C(N)=CC=C1 18729 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.24 COC(=O)C1=C(I)C(F)=CC=C1 30617 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.24 COC(=O)C1=C(N)C(Br)=CC=C1 28507 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 10929 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.24 COC(=O)C1=C(N)C(C)=NC=C1 35151 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.24 COC(=O)C1=C(N)C(Cl)=CC=C1 13621 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.24 COC(=O)C1=C(N)C(F)=CC=C1 28523 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.24 COC(=O)C1=C(N)C(F)=CC=C1 30492 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.24 COC(=O)C1=C(N)C(N)=CC=C1 4608 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.24 COC(=O)C1=C(N)C(O)=CC=C1 22540 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.24 COC(=O)C1=C(O)C(Br)=CC=C1 28568 [1,1,0,0,0,0|0,0,0]=2 369 B12R1.24 COC(=O)C1=C(O)C(Cl)=CC=C1 30510 [1,1,0,0,0,0|0,0,0]=2 370 B12R1.24 COC(=O)C1=C(O)C(F)=CC=C1 4086 [1,1,0,0,0,0|0,0,0]=2 371 B12R1.24 COC(=O)C1=CC=CC(C)=C1O 16431 [1,1,0,0,0,0|0,0,0]=2 372 B12R1.308 CC1=C(C(=O)CC#N)C=CC=C1 12074 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 3937 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 17515 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 12886 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 15493 [1,1,0,0,0,0|0,0,0]=2 378 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 12727 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 3703 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 3469 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 3881 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 16750 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 12921 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 24103 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.308 CCOC(=O)C1=CC=CC=C1N 13628 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.308 CCOC(=O)C1=CC=CC=C1S 6857 [1,1,0,0,0,0|0,1,0]=3 387 B12R1.308 CCOC(=O)C1=CN=CN=C1O 21506 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.354 CCC(=O)C1=C(F)C=CC(Br)=C1 20350 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 34488 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=C1 3972 [1,1,0,0,0,0|1,0,0]=3 391 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=C1 30710 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 11238 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 28559 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 29426 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 10936 [1,1,0,0,0,0|0,0,0]=2 396 B12R1.354 COC(=O)C1=C(C)C=CC(Cl)=C1 30530 [1,1,0,0,0,0|0,0,0]=2 397 B12R1.354 COC(=O)C1=C(C)C=CC(F)=C1 28656 [1,1,0,0,0,0|0,0,0]=2 398 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 28677 [1,1,0,0,0,0|0,0,0]=2 399 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 28670 [1,1,0,0,0,0|0,0,0]=2 400 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=C1 28547 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.354 COC(=O)C1=C(Cl)C=CC(C)=C1 30581 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=C1 3714 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.354 COC(=O)C1=C(Cl)C=CC(O)=C1 30711 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.354 COC(=O)C1=C(Cl)N=CC(Br)=C1 12966 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.354 COC(=O)C1=C(Cl)N=CC(F)=C1 26802 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.354 COC(=O)C1=C(Cl)N=CC(O)=C1 32395 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=C1 28565 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.354 COC(=O)C1=C(F)C=CC(I)=C1 28645 [1,1,0,0,0,0|1,0,0]=3 409 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 28640 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.354 COC(=O)C1=C(F)N=CC(Br)=C1 23895 [1,1,0,0,0,0|2,0,0]=4 411 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 26364 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 3344 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 3346 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 3558 [1,1,0,0,0,0|1,0,0]=3 415 B12R1.354 COC(=O)C1=C(N)C=CC(I)=C1 3354 [1,1,0,0,0,0|1,0,0]=3 416 B12R1.354 COC(=O)C1=C(N)N=CC(Br)=C1 9341 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 19740 [1,1,0,0,0,0|0,0,0]=2 418 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 30490 [1,1,0,0,0,0|0,0,0]=2 419 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 4087 [1,1,0,0,0,0|0,0,0]=2 420 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 26394 [1,1,0,0,0,0|0,0,0]=2 421 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1Br 32213 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O 23616 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.354 COC(=O)C1=CC(N)=NC=C1Br 18565 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.354 COC(=O)C1=NC(C)=CN=C1C 35623 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1C 24205 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.354 COC(=O)C1=NC(Cl)=CN=C1C 32154 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 16796 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 24408 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 27629 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 27568 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 28779 [1,1,0,0,0,0|2,0,0]=4 432 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 22934 [1,1,0,0,0,0|2,0,0]=4 433 B12R1.1703 CNC(=O)c1ccc(N)cc1F 34919 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 14035 [1,1,0,0,0,0|1,0,0]=3 435 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 28546 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 28558 [1,1,0,0,0,0|1,0,0]=3 437 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 30570 [1,1,0,0,0,0|1,0,0]=3 438 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 34395 [1,1,0,0,0,0|2,0,0]=4 439 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 21350 [1,1,0,0,0,0|0,0,0]=2 440 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 30758 [1,1,0,0,0,0|0,0,0]=2 441 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 13977 [1,1,0,0,0,0|0,0,0]=2 442 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 26459 [1,1,0,0,0,0|1,0,0]=3 443 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=C1 3713 [1,1,0,0,0,0|1,0,0]=3 444 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 18760 [1,1,0,0,0,0|1,0,0]=3 445 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4647 [1,1,0,0,0,0|1,0,0]=3 446 B12R1.1703 COC(=O)C1=C(Cl)N=C(Cl)C=C1 36135 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 18624 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 15678 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 28644 [1,1,0,0,0,0|1,0,0]=3 450 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 28527 [1,1,0,0,0,0|1,0,0]=3 451 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 28639 [1,1,0,0,0,0|1,0,0]=3 452 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 4635 [1,1,0,0,0,0|1,0,0]=3 453 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 30496 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 4643 [1,1,0,0,0,0|1,0,0]=3 455 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 28524 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 30520 [1,1,0,0,0,0|0,0,0]=2 457 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 32352 [1,1,0,0,0,0|0,0,0]=2 458 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 35728 [1,1,0,0,0,0|0,0,0]=2 459 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O 4089 [1,1,0,0,0,0|0,0,0]=2 460 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl 12979 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.1703 COC(=O)C1=CN=C(Cl)N=C1C 33346 [1,1,0,0,0,0|2,0,0]=4 462 B12R1.1703 COC(=O)C1=CN=C(N)C=C1Cl 23577 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.1703 COC(=O)C1=CN=C(N)N=C1C 33345 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O 25858 [1,1,0,0,0,0|1,0,0]=3 465 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C 17156 [1,1,0,0,0,0|1,0,0]=3 466 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl 21385 [1,1,0,0,0,0|2,0,0]=4 467 B12R1.1703 COC(=O)c1ccc(Br)cc1Br 24437 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1C 28573 [1,1,0,0,0,0|0,0,0]=2 469 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1Cl 12094 [1,1,0,0,0,0|1,0,0]=3 470 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1F 28560 [1,1,0,0,0,0|1,0,0]=3 471 B12R1.3441 COC(=O)C1=C(C)C=CC=C1C 30678 [1,1,0,0,0,0|0,0,0]=2 472 B12R1.3441 COC(=O)C1=C(C)C=CN=C1N 9605 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1C 30582 [1,1,0,0,0,0|0,0,0]=2 474 B12R1.3441 COC(=O)C1=C(Cl)N=CC=C1I 26755 [1,1,0,0,0,0|2,0,0]=4 475 B12R1.3441 COC(=O)C1=C(F)C=CC=C1C 28654 [1,1,0,0,0,0|0,0,0]=2 476 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O 4088 [1,1,0,0,0,0|0,0,0]=2 477 B12R1.3441 COC(=O)C1=C(F)N=CC=C1I 15247 [1,1,0,0,0,0|2,0,0]=4 478 B12R1.3441 COC(=O)C1=C(N)C=CC=C1Br 30734 [1,1,0,0,0,0|1,0,0]=3 479 B12R1.3441 COC(=O)C1=C(N)C=CC=C1C 30579 [1,1,0,0,0,0|0,0,0]=2 480 B12R1.3441 COC(=O)C1=C(N)C=CC=C1F 28525 [1,1,0,0,0,0|1,0,0]=3 481 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(C)=CC=C1 10932 [0,2,0,0,0,0|2,0,0]=4 482 B14R1.4100 COC(=O)C1=C(C#N)C(N)=CC=C1F 25694 [0,2,0,0,0,0|2,0,0]=4 483 B14R1.263 CCCC(=O)C1=C(OCC)C=CN=C1 34678 [0,2,0,0,0,0|2,0,0]=4 484 B14R1.263 CCOC(=O)C1=C(CC#N)C=CC=C1 28606 [0,2,0,0,0,0|1,0,1]=4 485 B14R1.5122 COC(=O)C1=C(CC#N)C=C(Br)C=C1 28550 [0,2,0,0,0,0|1,0,1]=4 486 B14R1.599 CCOC(=O)C1=C(C#N)C=CC(F)=C1 28602 [0,2,0,0,0,0|2,0,0]=4 487 B14R1.623 CCOC(=O)C1=C(B(O)O)C=CC=C1 19853 [0,2,0,0,0,0|2,0,0]=4 488 B14R1.623 CCOC(=O)C1=C(N(C)C)C=CC=C1 13414 [0,2,0,0,0,0|1,0,0]=3 489 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Br)=C1 28575 [0,2,0,0,0,0|2,0,0]=4 490 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 3712 [0,2,0,0,0,0|2,0,0]=4 491 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 28663 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.745 COC(=O)C1=C(C(F)(F)F)C=CC=C1 29710 [0,2,0,0,0,0|2,0,0]=4 493 B14R1.745 COC(=O)C1=C(S(=O)(=O)Cl)C=CC=C1 14808 [0,2,0,0,0,0|1,1,0]=4 494 B14R1.745 COC(=O)C1=C(S(N)(=O)=O)C=CC=C1 21413 [0,2,0,0,0,0|1,1,0]=4 495 B14R1.1126 COC(=O)C1=C(B(O)O)C=C(F)C=C1 29628 [0,2,0,0,0,0|2,0,0]=4 496 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(Br)C=C1 44705 [0,2,0,0,0,0|2,0,0]=4 497 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(Cl)C=C1 4583 [0,2,0,0,0,0|2,0,0]=4 498 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(N)C=C1 30556 [0,2,0,0,0,0|2,0,0]=4 499 B14R1.1164 COC(=O)C1=C(Br)C=CC=C1[N+](=O)[O-] 30737 [0,2,0,0,0,0|2,0,0]=4 500 B14R1.1164 COC(=O)C1=C(N)C=CC=C1[N+](=O)[O-] 22890 [0,2,0,0,0,0|2,0,0]=4 501 B14R1.346 COC(=O)C1=C(F)C=C(Br)C=C1OC 34776 [0,2,0,0,0,0|0,0,0]=2 502 B14R1.2334 COC(=O)C1=C(CBr)C=C(C#N)C=C1 30501 [0,2,0,0,0,0|2,0,0]=4 503 B14R1.2334 COC(=O)C1=C(CBr)C=C(OC)C=C1 30616 [0,2,0,0,0,0|2,0,0]=4 504 B14R1.2334 COC(=O)C1=C(OC)C=C(C#N)C=C1 30692 [0,2,0,0,0,0|0,0,0]=2 505 B14R1.2334 COC(=O)C1=C(OC)C=C(CBr)C=C1 30524 [0,2,0,0,0,0|0,0,0]=2 506 B14R1.2334 COC1=CC(OC)=C(C(=O)CBr)C=C1 13433 [0,2,0,0,0,0|2,0,0]=4 507 B14R1.2315 CCC(=O)C1=C(OC)C=CC(OC)=C1 29294 [0,2,0,0,0,0|1,0,0]=3 508 B14R1.2315 COC(=O)C1=C(CBr)C=CC(OC)=C1 30738 [0,2,0,0,0,0|2,0,0]=4 509 B14R1.2315 COC(=O)C1=C(OC)C=CC(C#N)=C1 28605 [0,2,0,0,0,0|0,0,0]=2 510 B14R1.2315 COC(=O)C1=C(OC)C=CC(C=O)=C1 19967 [0,2,0,0,0,0|0,0,0]=2 511 B14R1.2315 COC(=O)C1=C(OC)C=CC(CBr)=C1 30761 [0,2,0,0,0,0|0,0,0]=2 512 B14R1.2315 COC1=CC(C(=O)CBr)=C(OC)C=C1 2119 [0,2,0,0,0,0|2,0,0]=4 513 B14R1.2315 COC1=CC(C(=O)CN)=C(OC)C=C1 36357 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 3970 [0,0,1,1,0,0|2,0,0]=4 515 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 3710 [0,0,1,1,0,0|2,0,0]=4 516 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 18887 [0,0,1,1,0,0|2,0,0]=4 517 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 2351 [0,0,1,1,0,0|2,0,0]=4 518 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [0,0,1,1,0,0|2,0,0]=4 519 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [0,0,1,1,0,0|1,0,1]=4 520 B12R1.1879 COC1=CC=CC(OC)=C1C=O 8226 [0,0,1,1,0,0|2,0,0]=4 521 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 2645 [0,0,1,1,0,0|2,0,0]=4 522 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [1,0,0,1,0,0|2,0,0]=4 523 B12R2.315 COC1=C2C=CNC2=CC=C1 7433 [1,0,0,1,0,0|2,0,0]=4 524 B12R2.315 COC1=C2CNCC2=CC=C1 17686 [1,0,0,1,0,0|1,0,1]=4 525 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [1,0,0,1,0,0|1,0,0]=3 526 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [1,0,0,1,0,0|2,0,0]=4 527 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 12493 [1,0,0,1,0,0|2,0,0]=4 528 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 12453 [1,0,0,1,0,0|2,0,0]=4 529 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 13972 [1,0,0,1,0,0|2,0,0]=4 530 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 19846 [1,0,0,1,0,0|1,0,0]=3 531 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 13776 [1,0,0,1,0,0|2,0,0]=4 532 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 13780 [1,0,0,1,0,0|2,0,0]=4 533 B12R2.203 O=C1CCC2=CC=CC(O)=C12 23254 [1,0,0,1,0,0|1,0,0]=3 534 B12R2.203 O=C1OCC2=CC=CC(Cl)=C12 19473 [1,0,0,1,0,0|1,0,0]=3 535 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 7506 [0,0,0,1,0,1|1,0,1]=4 536 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 11863 [0,0,0,1,0,1|2,0,0]=4 537 B14R2.741 CC1CNc2ccccc2NC1=O 22974 [0,0,0,1,0,1|2,0,0]=4 538 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O 19409 [0,0,0,1,0,1|2,0,0]=4 539 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 15517 [0,0,0,1,0,1|2,0,0]=4 540 B14R2.11684 COC1=C2CC(=O)CCC2=CC=C1 17948 [0,0,0,1,0,1|1,0,0]=3 541 B14R2.11684 COC1=C2CC(=O)COC2=CC=C1 18372 [0,0,0,1,0,1|2,0,0]=4 542 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 12885 [0,1,0,1,0,0|1,0,1]=4 543 B14R2.11689 COC1=C2C(C=O)=CNC2=CC=C1 7687 [0,1,0,1,0,0|2,0,0]=4 544 B14R2.19306 CC1=C(C=O)C2=CC=CC=C2N1C 7266 [0,1,0,1,0,0|2,0,0]=4 545 B14R2.10782 COC(=O)C1=C2NC=CC2=CC=C1 7970 [0,1,0,1,0,0|1,0,1]=4 546 B14R2.10782 COC(=O)C1=CC=CC2=C1C=CN2 1705 [0,1,0,1,0,0|1,0,1]=4 547 B14R2.10782 COC(=O)C1=CC=CC2=C1C=CN2 20676 [0,1,0,1,0,0|1,0,1]=4 548 B14R2.10782 COC(=O)C1=CC=CC2=C1N=CN2 23670 [0,1,0,1,0,0|1,0,1]=4 549 B14R2.4510 O=C1CCNC(=O)C2=C1C=CC=C2 16221 [0,1,0,1,0,0|2,0,0]=4 550 B14R2.11635 COC1=C2C(=O)CCCC2=CC=C1 17905 [0,1,0,1,0,0|1,0,0]=3 551 B14R2.11635 COC1=C2C(=O)CCOC2=CC=C1 17923 [0,1,0,1,0,0|1,0,0]=3 552 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 25726 [0,1,0,1,0,0|2,0,0]=4 553 B14R2.8719 O=C1CCCCC2=C1C=CC(Br)=C2 35137 [0,1,0,1,0,0|2,0,0]=4 554 B14R2.1759 COC1=C2C(=O)CCC2=C(Br)C=C1 12384 [0,1,0,1,0,0|1,0,0]=3 555 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 17352 [0,1,0,1,0,0|2,0,0]=4 556 B10R1.149 COC(=O)C1=C(Br)C=CS1 33825 [1,0,0,0,1,0|2,0,0]=4 557 B10R1.149 COC(=O)C1=C(C)C=CS1 10098 [1,0,0,0,1,0|1,0,0]=3 558 B10R1.149 COC(=O)C1=C(C)N=CS1 9931 [1,0,0,0,1,0|2,0,0]=4 559 B10R1.149 COC(=O)C1=C(C)SC=C1 15770 [1,0,0,0,1,0|1,0,0]=3 560 B10R1.149 COC(=O)C1=C(Cl)C=CS1 9775 [1,0,0,0,1,0|2,0,0]=4 561 B10R1.149 COC(=O)C1=C(F)C=CS1 15241 [1,0,0,0,1,0|2,0,0]=4 562 B10R1.149 COC(=O)C1=C(I)C=CS1 33549 [1,0,0,0,1,0|2,0,0]=4 563 B10R1.149 COC(=O)C1=C(N)C=CS1 7304 [1,0,0,0,1,0|2,0,0]=4 564 B10R1.149 COC(=O)C1=C(N)SC=C1 5551 [1,0,0,0,1,0|2,0,0]=4 565 B10R1.149 COC(=O)C1=C(O)C=CS1 7744 [1,0,0,0,1,0|1,0,0]=3 566 B10R1.149 COC(=O)C1=CC=CN1C 12438 [1,0,0,0,1,0|1,0,0]=3 567 B10R1.149 COC(=O)C1=CN=CN1C 9004 [1,0,0,0,1,0|2,0,0]=4 568 B10R1.149 COC(=O)C1=NC=CN1C 23746 [1,0,0,0,1,0|2,0,0]=4