0 B13R1.298 N#CC1=C(Br)C(F)=CC(C(=O)O)=C1 MC108153 [0,0,0,0,0,0|2,1,1]=4 1 B13R1.298 N#CC1=C(Br)C(I)=CC(C(=O)O)=C1 MC108317 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.298 N#CC1=C(Br)C(O)=CC(C(=O)O)=C1 MC108266 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.298 N#CC1=C(F)C(Br)=CC([N+](=O)[O-])=C1 MC30218 [0,0,0,0,0,0|1,1,0]=2 4 B13R1.298 N#CC1=C(F)C(F)=CC([N+](=O)[O-])=C1 CS17158 [0,0,0,0,0,0|1,1,0]=2 5 B13R1.298 N#CC1=CC(C(=O)O)=CC(Br)=C1F MC108150 [0,0,0,0,0,0|2,1,1]=4 6 B13R1.298 N#CC1=CC(C(=O)O)=CC(Br)=C1I MC108314 [0,0,0,0,0,0|2,1,1]=4 7 B13R1.298 N#CC1=CC(C(=O)O)=CC(Br)=C1O MC108263 [0,0,0,0,0,0|2,1,1]=4 8 B13R1.298 O=CC1=C(O)C(O)=CC([N+](=O)[O-])=C1 MC428142 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.298 O=[N+]([O-])C1=CC(CBr)=C(F)C(F)=C1 MC110396 [0,0,0,0,0,0|2,1,1]=4 10 B13R1.298 O=[N+]([O-])C1=CC(CCl)=C(F)C(F)=C1 MC110400 [0,0,0,0,0,0|2,1,1]=4 11 B12R1.11 CC1=CC(C(=O)O)=CC(C#N)=C1 MC433641 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.11 CC1=CC([N+](=O)[O-])=CC(C#N)=C1 CS15133 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.11 CC1=CC([N+](=O)[O-])=CC(CO)=C1 CS17210 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.11 COC1=CC(Br)=CC([N+](=O)[O-])=C1 CS19857 [1,0,0,0,0,0|2,1,0]=4 15 B12R1.11 COC1=CC(Cl)=CC([N+](=O)[O-])=C1 MC41332 [1,0,0,0,0,0|2,1,0]=4 16 B12R1.11 COC1=CC([N+](=O)[O-])=CC(F)=C1 MC33189 [1,0,0,0,0,0|2,1,0]=4 17 B12R1.11 N#CC1=CC(C(=O)O)=CC(Cl)=C1 CS14392 [1,0,0,0,0,0|1,1,1]=4 18 B12R1.11 N#CC1=CC(F)=CC(C(=O)O)=C1 MC40262 [1,0,0,0,0,0|1,1,1]=4 19 B12R1.11 N#CC1=CC(F)=CC([N+](=O)[O-])=C1 CS22292 [1,0,0,0,0,0|0,1,0]=2 20 B12R1.11 N#CC1=CC(O)=CC(C(=O)O)=C1 MC442293 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.11 NC1=CC([N+](=O)[O-])=CC(CO)=C1 MC425607 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.11 O=CC1=CC(Br)=CC([N+](=O)[O-])=C1 CS19560 [1,0,0,0,0,0|1,1,1]=4 23 B12R1.11 O=CC1=CC(F)=CC([N+](=O)[O-])=C1 CS12678 [1,0,0,0,0,0|1,1,1]=4 24 B12R1.11 O=CC1=CC(O)=CC([N+](=O)[O-])=C1 CS12652 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.11 O=[N+]([O-])C1=CC(CBr)=CC(Cl)=C1 CS15893 [1,0,0,0,0,0|1,1,1]=4 26 B12R1.11 O=[N+]([O-])C1=CC(O)=CC(CO)=C1 CS17406 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 MC433721 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.56 CC1=C(C#N)C=C([N+](=O)[O-])C=C1 CS21681 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.56 CC1=C(C=O)C=C([N+](=O)[O-])C=C1 MC31069 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.56 CC1=CC=C([N+](=O)[O-])C=C1C#N MC30015 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 MC30087 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 CS10878 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS20212 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.56 COC1=C(F)C=CC([N+](=O)[O-])=C1 CS21550 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 MC20116 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 CS16396 [1,0,0,0,0,0|2,0,0]=3 37 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 CS20340 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 CS16346 [1,0,0,0,0,0|2,0,1]=4 39 B12R1.56 N#CC1=C(Br)C=CC([N+](=O)[O-])=C1 MC40628 [1,0,0,0,0,0|1,0,0]=2 40 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)O)=C1 MC31025 [1,0,0,0,0,0|2,0,1]=4 41 B12R1.56 N#CC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS10191 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.56 N#CC1=C(Cl)N=CC([N+](=O)[O-])=C1 MC111750 [1,0,0,0,0,0|2,0,0]=3 43 B12R1.56 N#CC1=C(F)C=CC([N+](=O)[O-])=C1 CS10214 [1,0,0,0,0,0|1,0,0]=2 44 B12R1.56 N#CC1=C(N)C=CC([N+](=O)[O-])=C1 CS20141 [1,0,0,0,0,0|0,0,0]=1 45 B12R1.56 N#CC1=C(N)N=CC([N+](=O)[O-])=C1 MC431799 [1,0,0,0,0,0|1,0,0]=2 46 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 MC441018 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.56 N#CC1=C(O)C=CC([N+](=O)[O-])=C1 MC442231 [1,0,0,0,0,0|1,0,0]=2 48 B12R1.56 N#CC1=CC([N+](=O)[O-])=CNC1=O MC111536 [1,0,0,0,0,0|2,0,0]=3 49 B12R1.56 O=CC1=C(Br)C=CC([N+](=O)[O-])=C1 CS13677 [1,0,0,0,0,0|2,0,1]=4 50 B12R1.56 O=CC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS19984 [1,0,0,0,0,0|2,0,1]=4 51 B12R1.56 O=CC1=C(F)C=CC([N+](=O)[O-])=C1 CS10301 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.56 O=[N+]([O-])C1=CC(CO)=C(F)C=C1 MC40714 [1,0,0,0,0,0|2,0,1]=4 53 B12R1.300 CC1=CC(C#N)=CC(C#N)=C1N MC115567 [1,0,0,0,0,0|3,0,0]=4 54 B12R1.1005 CC1=C(Cl)C=C([N+](=O)[O-])C=C1Cl MC20499 [1,0,0,0,0,0|2,1,0]=4 55 B12R1.1005 CC1=C(N)C(I)=CC([N+](=O)[O-])=C1 MC433330 [1,0,0,0,0,0|0,0,1]=2 56 B12R1.1005 CC1=C(N)C=C([N+](=O)[O-])C=C1Br MC429695 [1,0,0,0,0,0|1,1,1]=4 57 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(C)=C1Cl MC41532 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(C)=C1F CS16024 [1,0,0,0,0,0|2,0,1]=4 59 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(C)=C1O MC41187 [1,0,0,0,0,0|2,0,1]=4 60 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(Cl)=C1Br MC30072 [1,0,0,0,0,0|1,1,1]=4 61 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(F)=C1F MC431582 [1,0,0,0,0,0|1,1,1]=4 62 B12R1.1005 NC1=C(Cl)C(Cl)=CC([N+](=O)[O-])=C1 MC109999 [1,0,0,0,0,0|1,1,1]=4 63 B12R1.1005 NC1=C(Cl)C=C([N+](=O)[O-])C=C1Br CS18767 [1,0,0,0,0,0|1,1,0]=3 64 B12R1.1005 NC1=C(Cl)C=C([N+](=O)[O-])C=C1Cl MC433303 [1,0,0,0,0,0|1,1,0]=3 65 B12R1.1005 NC1=C(F)C(F)=CC([N+](=O)[O-])=C1 MC110350 [1,0,0,0,0,0|1,1,1]=4 66 B12R1.1005 NC1=C(F)C=C([N+](=O)[O-])C=C1F MC31095 [1,0,0,0,0,0|1,1,0]=3 67 B12R1.1005 NC1=C(I)C=C([N+](=O)[O-])C=C1I MC433312 [1,0,0,0,0,0|1,0,0]=2 68 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(Br)C(F)=C1 MC108987 [1,0,0,0,0,0|2,1,0]=4 69 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(F)C(Br)=C1 CS15403 [1,0,0,0,0,0|2,1,0]=4 70 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(O)C(Br)=C1 MC41177 [1,0,0,0,0,0|2,1,0]=4 71 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(O)C(F)=C1 MC30235 [1,0,0,0,0,0|2,1,0]=4 72 B12R1.1005 O=[N+]([O-])C1=CC(Cl)=C(F)C(Cl)=C1 MC20224 [1,0,0,0,0,0|2,1,0]=4 73 B12R1.1005 O=[N+]([O-])C1=CC(F)=C(Br)C(F)=C1 CS16578 [1,0,0,0,0,0|2,1,0]=4 74 B12R1.1005 O=[N+]([O-])C1=CC(F)=C(F)C(F)=C1 CS18649 [1,0,0,0,0,0|2,1,0]=4 75 B12R1.1005 O=[N+]([O-])C1=CC(F)=C(O)C(F)=C1 CS15529 [1,0,0,0,0,0|2,1,0]=4 76 B12R1.1005 O=[N+]([O-])C1=CC(O)=C(Br)C(F)=C1 MC20797 [1,0,0,0,0,0|2,1,0]=4 77 B12R1.1005 O=[N+]([O-])C1=CC(O)=C(F)C(F)=C1 CS17438 [1,0,0,0,0,0|2,1,0]=4 78 B12R1.1005 O=[N+]([O-])c1cc(F)c(F)c(Br)c1 MC433473 [1,0,0,0,0,0|2,1,0]=4 79 B12R1.1005 O=[N+]([O-])c1cc(F)c(F)c(Cl)c1 MC433496 [1,0,0,0,0,0|2,1,0]=4 80 B14R1.358 COC(=O)C1=CC(C#N)=C(Br)C(I)=C1 MC108353 [0,1,0,0,0,0|2,0,1]=4 81 B14R1.569 N#CC1=C(F)C(F)=C(N)C([N+](=O)[O-])=C1 MC110780 [0,1,0,0,0,0|1,1,0]=3 82 B14R1.5293 N#CCC1=C(F)C(F)=CC([N+](=O)[O-])=C1 MC110458 [0,1,0,0,0,0|1,1,0]=3 83 B14R2.8824 O=[N+]([O-])C1=CC(Br)=C2NN=CC2=C1 MC443436 [0,0,0,1,0,0|0,1,2]=4 84 B14R2.8824 O=[N+]([O-])C1=CC(F)=C2NN=CC2=C1 MC431046 [0,0,0,1,0,0|0,1,2]=4 85 B14R2.8824 O=[N+]([O-])C1=CC(I)=C2C=NNC2=C1 MC105028 [0,0,0,1,0,0|2,0,1]=4 86 B11R1.9 N#CC1=CC(F)=CC(C=O)=C1 CS12677 [2,0,0,0,0,0|1,1,0]=4 87 B11R1.74 CC1=CC(C)=CC([N+](=O)[O-])=C1 MC41543 [2,0,0,0,0,0|1,0,1]=4 88 B11R1.74 CC1=CC(Cl)=CC([N+](=O)[O-])=C1 MC434019 [2,0,0,0,0,0|0,1,1]=4 89 B11R1.74 CC1=CC(I)=CC([N+](=O)[O-])=C1 MC434022 [2,0,0,0,0,0|0,0,1]=3 90 B11R1.74 CC1=CC([N+](=O)[O-])=CC(Br)=C1 CS20176 [2,0,0,0,0,0|0,1,1]=4 91 B11R1.74 CC1=CC([N+](=O)[O-])=CC(F)=C1 CS10441 [2,0,0,0,0,0|0,1,1]=4 92 B11R1.74 CC1=CC([N+](=O)[O-])=CC(N)=C1 CS22363 [2,0,0,0,0,0|1,0,1]=4 93 B11R1.74 CC1=CC([N+](=O)[O-])=CC(O)=C1 CS22364 [2,0,0,0,0,0|1,0,1]=4 94 B11R1.74 NC1=CC(Br)=CC([N+](=O)[O-])=C1 CS14860 [2,0,0,0,0,0|0,1,1]=4 95 B11R1.74 NC1=CC(Cl)=CC([N+](=O)[O-])=C1 CS15862 [2,0,0,0,0,0|0,1,1]=4 96 B11R1.74 NC1=CC([N+](=O)[O-])=CC(F)=C1 CS10389 [2,0,0,0,0,0|0,1,1]=4 97 B11R1.74 O=[N+]([O-])C1=CC(Br)=CC(Cl)=C1 CS12443 [2,0,0,0,0,0|1,1,0]=4 98 B11R1.74 O=[N+]([O-])C1=CC(Br)=CC(F)=C1 CS19565 [2,0,0,0,0,0|1,1,0]=4 99 B11R1.74 O=[N+]([O-])C1=CC(Br)=CC(I)=C1 MC429292 [2,0,0,0,0,0|1,0,0]=3 100 B11R1.74 O=[N+]([O-])C1=CC(Cl)=CC(Cl)=C1 CS21983 [2,0,0,0,0,0|1,1,0]=4 101 B11R1.74 O=[N+]([O-])C1=CC(F)=CC(F)=C1 MC30106 [2,0,0,0,0,0|1,1,0]=4 102 B11R1.74 O=[N+]([O-])C1=CC(F)=CC(I)=C1 CS20683 [2,0,0,0,0,0|1,0,0]=3 103 B11R1.74 O=[N+]([O-])C1=CC(O)=CC(Br)=C1 CS15717 [2,0,0,0,0,0|1,1,0]=4 104 B11R1.74 O=[N+]([O-])c1cc(Br)cc(Br)c1 MC41579 [2,0,0,0,0,0|1,1,0]=4 105 B11R1.266 C#CC1=CC([N+](=O)[O-])=CC=C1 CS19899 [2,0,0,0,0,0|1,0,0]=3 106 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [2,0,0,0,0,0|2,0,0]=4 107 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 MC20560 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 MC433634 [2,0,0,0,0,0|1,0,1]=4 109 B11R1.266 O=CC1=CC([N+](=O)[O-])=CC=C1 MC41131 [2,0,0,0,0,0|1,0,1]=4 110 B11R1.266 O=[N+]([O-])C1=CC=CC(CBr)=C1 CS19035 [2,0,0,0,0,0|1,0,1]=4 111 B11R1.266 O=[N+]([O-])C1=CC=CC(CO)=C1 MC40724 [2,0,0,0,0,0|1,0,1]=4 112 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 CS20182 [2,0,0,0,0,0|1,1,0]=4 113 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 MC41503 [2,0,0,0,0,0|1,0,1]=4 114 B11R1.21 CC1=C(C)C=C([N+](=O)[O-])C=C1 CS19756 [2,0,0,0,0,0|1,0,1]=4 115 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 MC41509 [2,0,0,0,0,0|1,1,0]=4 116 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS13608 [2,0,0,0,0,0|1,0,1]=4 117 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 CS10432 [2,0,0,0,0,0|1,1,0]=4 118 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 CS10433 [2,0,0,0,0,0|1,0,1]=4 119 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 MC434021 [2,0,0,0,0,0|1,0,0]=3 120 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 MC442250 [2,0,0,0,0,0|1,0,1]=4 121 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 CS16439 [2,0,0,0,0,0|1,0,1]=4 122 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 CS10489 [2,0,0,0,0,0|2,0,0]=4 123 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 MC433397 [2,0,0,0,0,0|1,0,1]=4 124 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1N MC20016 [2,0,0,0,0,0|1,0,1]=4 125 B11R1.21 NC1=C(Br)C=C([N+](=O)[O-])C=C1 CS18699 [2,0,0,0,0,0|0,1,0]=3 126 B11R1.21 NC1=C(Br)C=CC([N+](=O)[O-])=C1 CS19006 [2,0,0,0,0,0|1,0,1]=4 127 B11R1.21 NC1=C(Cl)C=C([N+](=O)[O-])C=C1 CS13557 [2,0,0,0,0,0|0,1,0]=3 128 B11R1.21 NC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS15374 [2,0,0,0,0,0|1,0,1]=4 129 B11R1.21 NC1=C(F)C=C([N+](=O)[O-])C=C1 MC30236 [2,0,0,0,0,0|0,1,0]=3 130 B11R1.21 NC1=C(F)C=CC([N+](=O)[O-])=C1 CS22987 [2,0,0,0,0,0|1,0,1]=4 131 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 MC10142 [2,0,0,0,0,0|1,0,1]=4 132 B11R1.21 NC1=C(I)C=C([N+](=O)[O-])C=C1 CS19223 [2,0,0,0,0,0|0,0,0]=2 133 B11R1.21 NC1=C(I)C=CC([N+](=O)[O-])=C1 CS16498 [2,0,0,0,0,0|1,0,1]=4 134 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 MC41144 [2,0,0,0,0,0|1,0,1]=4 135 B11R1.21 NC1=C(S)C=C([N+](=O)[O-])C=C1 MC427263 [2,0,0,0,0,0|1,0,0]=3 136 B11R1.21 NC1=CC([N+](=O)[O-])=CN=C1N MC427332 [2,0,0,0,0,0|1,0,1]=4 137 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1N CS16440 [2,0,0,0,0,0|0,0,1]=3 138 B11R1.21 NC1=NC=C([N+](=O)[O-])C=C1Br CS13767 [2,0,0,0,0,0|1,1,0]=4 139 B11R1.21 NC1=NC=C([N+](=O)[O-])C=C1Cl CS13968 [2,0,0,0,0,0|1,1,0]=4 140 B11R1.21 NC1=NC=C([N+](=O)[O-])C=C1O CS15633 [2,0,0,0,0,0|2,0,0]=4 141 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(Br)C=C1 CS17243 [2,0,0,0,0,0|1,1,0]=4 142 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(F)C=C1 CS22855 [2,0,0,0,0,0|1,1,0]=4 143 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(I)C=C1 CS16203 [2,0,0,0,0,0|1,1,0]=4 144 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 CS18789 [2,0,0,0,0,0|1,1,0]=4 145 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Br)C=C1 CS20647 [2,0,0,0,0,0|1,1,0]=4 146 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 CS18855 [2,0,0,0,0,0|1,1,0]=4 147 B11R1.21 O=[N+]([O-])C1=CC(F)=C(Cl)C=C1 CS22876 [2,0,0,0,0,0|1,1,0]=4 148 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 MC30320 [2,0,0,0,0,0|1,1,0]=4 149 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 MC33152 [2,0,0,0,0,0|2,0,0]=4 150 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 CS22922 [2,0,0,0,0,0|2,0,0]=4 151 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 CS21551 [2,0,0,0,0,0|2,0,0]=4 152 B11R1.21 O=[N+]([O-])C1=CN=C(Cl)C(I)=C1 MC33491 [2,0,0,0,0,0|2,0,0]=4 153 B11R1.21 O=[N+]([O-])C1=CN=C(F)C(I)=C1 MC429262 [2,0,0,0,0,0|2,0,0]=4 154 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(I)=C1 MC429508 [2,0,0,0,0,0|2,0,0]=4 155 B11R1.21 O=[N+]([O-])c1ccc(Br)c(F)c1 CS22859 [2,0,0,0,0,0|1,1,0]=4 156 B11R1.21 O=[N+]([O-])c1ccc(Br)c(I)c1 MC41572 [2,0,0,0,0,0|1,0,0]=3 157 B11R1.21 O=[N+]([O-])c1ccc(Cl)c(Br)c1 CS18655 [2,0,0,0,0,0|1,1,0]=4 158 B11R1.21 O=[N+]([O-])c1ccc(Cl)c(Cl)c1 MC41580 [2,0,0,0,0,0|1,1,0]=4 159 B11R1.21 O=[N+]([O-])c1ccc(F)c(Cl)c1 CS22872 [2,0,0,0,0,0|1,1,0]=4 160 B11R1.21 O=[N+]([O-])c1ccc(F)c(F)c1 CS22881 [2,0,0,0,0,0|1,1,0]=4 161 B11R1.21 O=[N+]([O-])c1ccc(F)c(I)c1 MC41583 [2,0,0,0,0,0|1,0,0]=3 162 B11R1.21 O=[N+]([O-])c1ccc(I)c(F)c1 MC433529 [2,0,0,0,0,0|1,1,0]=4 163 B11R1.280 CC1=C(C#N)C=C(C=O)C=C1 MC41111 [2,0,0,0,0,0|2,0,0]=4 164 B11R1.280 COc1ccc(N)c(C#N)c1 MC30209 [2,0,0,0,0,0|2,0,0]=4 165 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 CS14722 [2,0,0,0,0,0|2,0,0]=4 166 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 CS17615 [2,0,0,0,0,0|2,0,0]=4 167 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 CS20608 [2,0,0,0,0,0|2,0,0]=4 168 B11R1.280 N#CC1=C(I)C=CC(C=O)=C1 MC431062 [2,0,0,0,0,0|2,0,0]=4 169 B11R1.8 N#CC1=C(N)C(Br)=CC(Br)=C1 CS19802 [2,0,0,0,0,0|1,1,0]=4 170 B11R1.8 N#CC1=C(N)C(Cl)=CC(Cl)=C1 MC40619 [2,0,0,0,0,0|1,1,0]=4 171 B11R1.8 N#CC1=C(N)C(I)=CC(Cl)=C1 MC40617 [2,0,0,0,0,0|1,0,0]=3 172 B13R1.299 N#CC1=CC(I)=CC(C(=O)O)=C1Br MC108305 [1,1,0,0,0,0|1,0,1]=4 173 B13R1.313 COC1=CC([N+](=O)[O-])=CC(C#N)=C1 MC40668 [1,1,0,0,0,0|1,0,0]=3 174 B13R1.437 N#CC1=CC(C(=O)O)=C(Br)C(I)=C1 MC108308 [1,1,0,0,0,0|1,0,1]=4 175 B13R1.437 N#CC1=CC(F)=C(F)C([N+](=O)[O-])=C1 CS13218 [1,1,0,0,0,0|0,1,0]=3 176 B13R1.437 N#CC1=CC(F)=C(O)C([N+](=O)[O-])=C1 MC115299 [1,1,0,0,0,0|0,1,0]=3 177 B13R1.437 N#Cc1cc(I)c(O)c([N+](=O)[O-])c1 MC445172 [1,1,0,0,0,0|0,0,0]=2 178 B13R1.13 CC(=O)C1=C(N)C=CC([N+](=O)[O-])=C1 CS16370 [1,1,0,0,0,0|1,0,1]=4 179 B13R1.13 NC(=O)C1=C(N)C=CC([N+](=O)[O-])=C1 MC21026 [1,1,0,0,0,0|0,0,2]=4 180 B13R1.13 NC1=C(C(=O)O)C=C([N+](=O)[O-])C=C1 CS20246 [1,1,0,0,0,0|1,0,1]=4 181 B13R1.354 CCOC1=C(N)C=CC([N+](=O)[O-])=C1 MC20294 [1,1,0,0,0,0|1,0,1]=4 182 B13R1.651 CC1=C(C#N)C=C([N+](=O)[O-])C(Cl)=C1 MC40634 [1,1,0,0,0,0|1,0,0]=3 183 B13R1.651 CC1=C(C#N)C=C([N+](=O)[O-])C(F)=C1 MC433779 [1,1,0,0,0,0|1,0,0]=3 184 B13R1.651 N#CC1=C(F)C=C(F)C([N+](=O)[O-])=C1 CS21105 [1,1,0,0,0,0|1,0,0]=3 185 B13R1.651 N#CC1=C(F)C=C(O)C([N+](=O)[O-])=C1 MC102539 [1,1,0,0,0,0|1,0,0]=3 186 B13R1.3091 N#CC1=C(CBr)C=CC([N+](=O)[O-])=C1 MC442479 [1,1,0,0,0,0|1,0,0]=3 187 B13R1.3091 N#CC1=CC=C([N+](=O)[O-])C=C1C#N CS22017 [1,1,0,0,0,0|0,0,1]=3 188 B13R1.3230 N#CC1=C(Cl)C([N+](=O)[O-])=CC=C1Cl MC30196 [1,1,0,0,0,0|1,0,0]=3 189 B13R1.2811 CC1=C(N)C(Br)=CC([N+](=O)[O-])=C1C MC433277 [1,1,0,0,0,0|0,1,1]=4 190 B13R2.430 O=[N+]([O-])C1=CC=C2NC=CC2=C1 CS22073 [1,0,0,1,0,0|1,0,1]=4 191 B13R2.430 O=[N+]([O-])C1=CC=C2NCCC2=C1 CS10855 [1,0,0,1,0,0|1,0,1]=4 192 B13R2.430 O=[N+]([O-])C1=CC=C2NN=CC2=C1 CS22072 [1,0,0,1,0,0|0,0,2]=4 193 B13R1.2398 N#CC1=C([N+](=O)[O-])C=C(Cl)C(Cl)=C1 MC30053 [0,0,0,0,1,1|1,1,0]=4 194 B13R1.2398 N#CC1=C([N+](=O)[O-])C=C(F)C(F)=C1 MC30051 [0,0,0,0,1,1|1,1,0]=4 195 B13R1.3158 N#CC1=C(Cl)C(Cl)=CC=C1[N+](=O)[O-] CS10145 [0,0,0,0,1,1|1,1,0]=4 196 B13R1.3158 N#CC1=C(F)C(F)=CC=C1[N+](=O)[O-] MC429838 [0,0,0,0,1,1|1,1,0]=4