0 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 MC442815 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 MC433721 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.56 CC1=NC=C(C(=O)O)C=C1C#N MC431587 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.56 CCC1=C(Br)C=CC(C(=O)O)=C1 MC428381 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.56 CCC1=C(Cl)C=CC(B(O)O)=C1 MC113638 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 MC30294 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 CS22663 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 CS16863 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 MC30087 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 MC21120 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS21939 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 CS10878 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 CS12284 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 CS20832 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 CS13301 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS20212 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 CS12285 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS16067 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 MC30272 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.56 COC1=C(F)C=CC([N+](=O)[O-])=C1 CS21550 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 MC20116 [0,0,0,0,0,0|2,0,1]=3 21 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS21016 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.56 COC1=C(N)C=CC(C(=O)O)=N1 MC432347 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 CS16396 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 MC442694 [0,0,0,0,0,0|1,0,1]=2 25 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [0,0,0,0,0,0|0,0,0]=0 26 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 CS20340 [0,0,0,0,0,0|1,0,1]=2 28 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1Cl MC20983 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1O MC431861 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 CS16346 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)O)=C1 MC31025 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 MC441018 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.56 N#CC1=C(O)C=CC([N+](=O)[O-])=C1 MC442231 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 CS22830 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS20811 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 MC433136 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 MC41013 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 MC41503 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.21 CC1=C(C)C=C(B(O)O)C=C1 CS20467 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.21 CC1=C(C)C=C([N+](=O)[O-])C=C1 CS19756 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS16867 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS20828 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.21 CC1=C(Cl)C=C(C(=O)[O-])C=C1 MC40343 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 MC433626 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 CS19324 [1,0,0,0,0,0|1,0,0]=2 67 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS13608 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.21 CC1=C(Cl)N=CC(C(=O)O)=C1 MC429982 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 CS21927 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 CS20353 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 MC40481 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 CS14298 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 CS10433 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 MC433702 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 CS21937 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 MC442250 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS21906 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 CS21001 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 MC442887 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CS20943 [1,0,0,0,0,0|1,0,0]=2 83 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 CS10489 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 MC441420 [1,0,0,0,0,0|1,0,1]=3 85 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 CS20947 [1,0,0,0,0,0|0,0,0]=1 86 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 MC433397 [1,0,0,0,0,0|1,0,1]=3 87 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS17571 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1O CS19382 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.21 CC1=CC=C(C(=O)O)NC1=O CS16105 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 MC40225 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 MC33100 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 CS20206 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS20228 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS10439 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 MC10142 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 MC31156 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 CS20381 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 CS20332 [1,0,0,0,0,0|1,0,0]=2 101 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 CS10491 [1,0,0,0,0,0|1,0,0]=2 102 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 MC41144 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.21 NC1=CC(C(=O)O)=NC=C1F MC431827 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl MC20248 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.21 NC1=NC=C(C(=O)O)C=C1Br CS12387 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.21 Nc1cc(C(=O)O)ncc1Br MC104060 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 MC21024 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.21 O=C(Cl)C1=CC(Cl)=C(F)C=C1 MC30275 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 MC40445 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 MC40454 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 MC30095 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 CS13169 [1,0,0,0,0,0|1,0,1]=3 113 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 MC433643 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 CS19835 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 CS21914 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS16354 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 MC40236 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 CS14672 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 CS19962 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 CS20110 [1,0,0,0,0,0|1,0,0]=2 121 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 CS21990 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS19967 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 CS20015 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 CS22285 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 MC40282 [1,0,0,0,0,0|1,0,0]=2 126 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 MC441218 [1,0,0,0,0,0|2,0,0]=3 127 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 MC434062 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS12746 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 MC441219 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 CS22662 [1,0,0,0,0,0|1,0,0]=2 131 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 CS20111 [1,0,0,0,0,0|1,0,0]=2 132 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 MC40283 [1,0,0,0,0,0|1,0,0]=2 133 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS18380 [1,0,0,0,0,0|1,0,0]=2 134 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 CS20259 [1,0,0,0,0,0|0,0,0]=1 135 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 CS16864 [1,0,0,0,0,0|2,0,1]=4 136 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 CS17670 [1,0,0,0,0,0|1,0,1]=3 137 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 MC20828 [1,0,0,0,0,0|3,0,0]=4 138 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 MC431134 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 CS14093 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 CS22861 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 MC432210 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 CS13277 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 MC103666 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS13224 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS15048 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 CS15050 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 CS17967 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 CS17143 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 CS15157 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.21 O=C(O)C1=NC=C(Cl)C(Br)=C1 MC430521 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.21 O=C(O)C1=NC=C(O)C(Cl)=C1 MC432602 [1,0,0,0,0,0|2,0,0]=3 153 B11R1.21 O=C([O-])C1=CC(Cl)=C(F)C=C1 MC40342 [1,0,0,0,0,0|2,0,1]=4 154 B11R1.21 O=C([O-])C1=CC(F)=C(F)C=C1 MC40348 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 CS18789 [1,0,0,0,0,0|2,0,1]=4 156 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 CS18855 [1,0,0,0,0,0|2,0,1]=4 157 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 MC30320 [1,0,0,0,0,0|2,0,1]=4 158 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 MC33152 [1,0,0,0,0,0|2,0,1]=4 159 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 CS22922 [1,0,0,0,0,0|2,0,1]=4 160 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 CS21551 [1,0,0,0,0,0|2,0,1]=4 161 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 CS13191 [1,0,0,0,0,0|2,0,1]=4 162 B11R1.21 OB(O)C1=CC(F)=C(O)C=C1 MC441708 [1,0,0,0,0,0|2,0,1]=4 163 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 CS16283 [1,0,0,0,0,0|2,0,1]=4 164 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 MC441422 [1,0,0,0,0,0|2,0,1]=4 165 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.266 CCC1=CC=CC(B(O)O)=C1 MC433905 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 CS21756 [1,0,0,0,0,0|2,0,0]=3 169 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 MC33524 [1,0,0,0,0,0|2,0,0]=3 170 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 CS18139 [1,0,0,0,0,0|2,0,0]=3 171 B11R1.266 COC1=CC(C(=O)O)=CN=C1 CS20059 [1,0,0,0,0,0|1,0,0]=2 172 B11R1.266 COC1=CC(C(=O)O)=CN=N1 CS17802 [1,0,0,0,0,0|2,0,0]=3 173 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS20334 [1,0,0,0,0,0|1,0,0]=2 174 B11R1.266 COC1=CC(C(=O)O)=NC=N1 MC441129 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.266 COC1=CC(N(C)C)=CC=C1 MC445041 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.266 COC1=CC=CC(B(O)O)=C1 CS20399 [1,0,0,0,0,0|1,0,1]=3 178 B11R1.266 COC1=CC=CC(B(O)O)=N1 MC106709 [1,0,0,0,0,0|2,0,1]=4 179 B11R1.266 COC1=CC=CC(C(=N)N)=C1 CS18198 [1,0,0,0,0,0|2,0,0]=3 180 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 MC40493 [1,0,0,0,0,0|1,0,0]=2 181 B11R1.266 COC1=CC=CC(C(=O)O)=C1 MC40298 [1,0,0,0,0,0|0,0,0]=1 182 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [1,0,0,0,0,0|1,0,0]=2 183 B11R1.266 COC1=CN=CC(B(O)O)=C1 MC431156 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [1,0,0,0,0,0|2,0,0]=3 185 B11R1.266 COC1=CN=NC(C(=O)O)=C1 MC116095 [1,0,0,0,0,0|2,0,0]=3 186 B11R1.266 COC1=NC=CC(B(O)O)=C1 CS18470 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.266 COC1=NC=CC(C(=O)O)=C1 CS10487 [1,0,0,0,0,0|1,0,0]=2 188 B11R1.266 COC1=NC=CC(C(=O)O)=N1 MC441255 [1,0,0,0,0,0|2,0,0]=3 189 B11R1.266 CSC1=NC=CC(C(=O)O)=N1 CS19819 [1,0,0,0,0,0|2,1,0]=4 190 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 MC20560 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 MC433634 [1,0,0,0,0,0|2,0,0]=3 192 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 CS14616 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.266 NC(=O)C1=CC(CBr)=CC=C1 CS16760 [1,0,0,0,0,0|3,0,0]=4 194 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 CS21006 [1,0,0,0,0,0|2,0,0]=3 195 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 MC40457 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 MC30291 [1,0,0,0,0,0|2,0,0]=3 197 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 CS18966 [1,0,0,0,0,0|2,0,0]=3 198 B11R1.266 O=C(O)C1=NC(CBr)=CC=C1 MC431950 [1,0,0,0,0,0|3,0,0]=4 199 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 CS21920 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 CS15759 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 CS21640 [1,0,0,0,0,0|1,0,0]=2 202 B11R1.280 CC1=C(C#N)C=C(C=O)C=C1 MC41111 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 MC441223 [1,0,0,0,0,0|1,0,0]=2 204 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 MC30328 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.280 COC1=C(Br)C=CC(CO)=C1 CS21375 [1,0,0,0,0,0|1,0,1]=3 206 B11R1.280 COC1=C(C)C=CC(C#N)=C1 CS22338 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.280 COC1=C(C)C=CC(C=O)=C1 CS21938 [1,0,0,0,0,0|1,0,0]=2 208 B11R1.280 COC1=C(C)C=CC(CN)=C1 MC111182 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 CS15135 [1,0,0,0,0,0|1,0,0]=2 210 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 MC40533 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 MC40809 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 CS17422 [1,0,0,0,0,0|1,0,1]=3 213 B11R1.280 COC1=C(F)C=CC(C#N)=C1 MC30271 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.280 COC1=C(F)C=CC(C=O)=C1 MC429581 [1,0,0,0,0,0|1,0,0]=2 215 B11R1.280 COC1=C(F)C=CC(CBr)=C1 MC429580 [1,0,0,0,0,0|2,0,1]=4 216 B11R1.280 COC1=C(F)C=CC(CN)=C1 MC433899 [1,0,0,0,0,0|2,0,1]=4 217 B11R1.280 COC1=C(F)C=CC(CO)=C1 MC40713 [1,0,0,0,0,0|1,0,1]=3 218 B11R1.280 COC1=C(N)C=CC(C#N)=C1 CS14461 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.280 COC1=C(O)C=CC(C#N)=C1 MC40664 [1,0,0,0,0,0|1,0,1]=3 220 B11R1.280 COC1=C(O)C=CC(C=O)=C1 CS13553 [1,0,0,0,0,0|0,0,0]=1 221 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS22873 [1,0,0,0,0,0|1,0,1]=3 222 B11R1.280 COC1=C(O)C=CC(CO)=C1 MC40721 [1,0,0,0,0,0|0,0,1]=2 223 B11R1.280 COC1=CC(OC)=C(Br)C=C1 MC433149 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.280 COC1=CC(OC)=C(O)C=C1 CS21112 [1,0,0,0,0,0|2,0,0]=3 225 B11R1.280 COc1ccc(F)c(OC)c1 MC433522 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 CS14722 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 CS17615 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 CS20608 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.280 N#CC1=C(I)C=CC(C=O)=C1 MC431062 [1,0,0,0,0,0|3,0,0]=4 230 B13R1.13 CC(=O)C1=CC([N+](=O)[O-])=C(O)C=C1 CS15399 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.13 CC(=O)c1cc([N+](=O)[O-])ccc1O CS20867 [0,1,0,0,0,0|2,0,1]=4 232 B13R1.13 CC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 CS20864 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.13 O=C(O)C1=CC(B(O)O)=C(Cl)C=C1 CS10310 [0,1,0,0,0,0|3,0,0]=4 234 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(Br)C=C1 MC40322 [0,1,0,0,0,0|3,0,0]=4 235 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(Br)C=C1 MC30329 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(Cl)C=C1 CS16389 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(F)C=C1 CS22002 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(I)C=C1 CS22902 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(O)C=C1 CS15294 [0,1,0,0,0,0|2,0,0]=3 240 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 CS22875 [0,1,0,0,0,0|1,0,0]=2 241 B13R1.49 CNC1=C(N)C=CC(C(=O)OC)=C1 CS16777 [0,1,0,0,0,0|2,0,0]=3 242 B13R1.49 COC(=O)C1=CC(C#N)=C(F)C=C1 CS19260 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.49 COC(=O)C1=CC(CCl)=C(Cl)C=C1 MC40079 [0,1,0,0,0,0|3,0,0]=4 244 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=C1 CS11640 [0,1,0,0,0,0|1,0,0]=2 245 B13R1.49 COC(=O)C1=CC(OC)=C(C)C=C1 CS11629 [0,1,0,0,0,0|1,0,0]=2 246 B13R1.49 COC(=O)C1=CC(OC)=C(Cl)C=C1 MC40084 [0,1,0,0,0,0|1,0,0]=2 247 B13R1.49 COC(=O)C1=CC(OC)=C(I)C=C1 MC40108 [0,1,0,0,0,0|1,0,0]=2 248 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 CS10901 [0,1,0,0,0,0|1,0,0]=2 249 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 CS21130 [0,1,0,0,0,0|0,0,0]=1 250 B13R1.49 COC(=O)C1=NC(OC)=C(Br)C=C1 MC432584 [0,1,0,0,0,0|2,0,0]=3 251 B13R1.49 COC(=O)C1=NC(OC)=C(C)C=C1 MC428184 [0,1,0,0,0,0|2,0,0]=3 252 B13R1.49 COC(=O)C1=NC=C(Br)C(OC)=C1 MC431901 [0,1,0,0,0,0|2,0,0]=3 253 B13R1.49 O=C(CBr)C1=CC(CO)=C(O)C=C1 MC425697 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.49 O=CC1=C(O)C=CC(C(=O)CBr)=C1 MC427112 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.50 COC1=C(F)C=CC(S(=O)(=O)Cl)=C1 MC445190 [0,1,0,0,0,0|2,0,1]=4 256 B13R1.50 COC1=C(N)C=CC(S(C)(=O)=O)=C1 CS15738 [0,1,0,0,0,0|2,0,1]=4 257 B13R1.298 COC1=CC(B(O)O)=CC(Cl)=C1O MC113640 [0,1,0,0,0,0|1,0,1]=3 258 B13R1.298 COC1=CC(B(O)O)=CC(F)=C1F MC442860 [0,1,0,0,0,0|2,0,1]=4 259 B13R1.298 COC1=CC(C(=O)O)=CC(Cl)=C1O MC40256 [0,1,0,0,0,0|0,0,0]=1 260 B13R1.298 N#CC1=C(Br)C(F)=CC(C(=O)O)=C1 MC108153 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.298 N#CC1=C(Br)C(I)=CC(C(=O)O)=C1 MC108317 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.298 N#CC1=C(Br)C(O)=CC(C(=O)O)=C1 MC108266 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.298 N#CC1=CC(C(=O)O)=CC(Br)=C1F MC108150 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.298 N#CC1=CC(C(=O)O)=CC(Br)=C1I MC108314 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.298 N#CC1=CC(C(=O)O)=CC(Br)=C1O MC108263 [0,1,0,0,0,0|2,0,0]=3 266 B13R1.354 CCCC1=C(F)C=CC(C(=O)O)=C1 CS16016 [0,1,0,0,0,0|2,0,0]=3 267 B13R1.354 CCOC1=C(Br)C=CC([N+](=O)[O-])=C1 CS21379 [0,1,0,0,0,0|2,0,1]=4 268 B13R1.354 CCOC1=C(Cl)C=CC(B(O)O)=C1 MC442855 [0,1,0,0,0,0|2,0,1]=4 269 B13R1.354 CCOC1=C(N)C=CC([N+](=O)[O-])=C1 MC20294 [0,1,0,0,0,0|2,0,1]=4 270 B13R1.651 COC1=C(Cl)C=C(C)C([N+](=O)[O-])=C1 CS16931 [0,1,0,0,0,0|2,0,1]=4 271 B13R1.651 COC1=C(Cl)C=C(Cl)C([N+](=O)[O-])=C1 MC433379 [0,1,0,0,0,0|2,0,1]=4 272 B13R1.651 COC1=C(Cl)C=C(F)C([N+](=O)[O-])=C1 MC31201 [0,1,0,0,0,0|2,0,1]=4 273 B13R1.651 COC1=C(F)C=C(Br)C([N+](=O)[O-])=C1 MC41318 [0,1,0,0,0,0|2,0,1]=4 274 B13R1.651 COC1=C(F)C=C(F)C([N+](=O)[O-])=C1 MC433384 [0,1,0,0,0,0|2,0,1]=4 275 B13R1.651 COC1=C(F)C=C(N)C([N+](=O)[O-])=C1 MC433347 [0,1,0,0,0,0|2,0,1]=4 276 B13R1.651 COC1=CC(C(=O)O)=C(Br)C=C1F MC30076 [0,1,0,0,0,0|1,0,0]=2 277 B13R1.651 COC1=CC(C(=O)O)=C(F)C=C1C MC433685 [0,1,0,0,0,0|1,0,0]=2 278 B13R1.651 COC1=CC(C(=O)O)=C(F)C=C1N CS12719 [0,1,0,0,0,0|1,0,0]=2 279 B13R1.651 COC1=CC(C(C)=O)=C(C)C=C1O MC429367 [0,1,0,0,0,0|1,0,0]=2 280 B13R1.651 COC1=CC(C(C)=O)=C(F)C=C1O MC41252 [0,1,0,0,0,0|1,0,0]=2 281 B13R1.651 COc1cc(C(C)=O)c(N)cc1F MC433206 [0,1,0,0,0,0|2,0,0]=3 282 B13R1.651 N#CC1=CC(C(=O)O)=C(Br)C=C1I MC108309 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.651 N#CC1=CC(C(=O)O)=C(Br)C=C1O MC108258 [0,1,0,0,0,0|2,0,0]=3 284 B13R1.651 N#CC1=CC(C(=O)O)=C(F)C=C1Br MC108154 [0,1,0,0,0,0|3,0,0]=4 285 B13R1.651 N#CC1=CC(C(=O)O)=C(I)C=C1Br MC108318 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.3091 COC1=C(C#N)C=CC(B(O)O)=C1 MC442849 [0,1,0,0,0,0|2,0,1]=4 287 B13R1.3091 COC1=C(C=O)C=CC(B(O)O)=C1 MC442880 [0,1,0,0,0,0|1,0,2]=4 288 B13R1.3091 COC1=C(CCl)C=C(C(C)=O)C=C1 MC41241 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 MC445050 [0,1,0,0,0,0|1,0,1]=3 290 B13R1.3091 COC1=C(OC)C=C(C(=O)Cl)C=C1 MC40469 [0,1,0,0,0,0|1,0,0]=2 291 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 MC40279 [0,1,0,0,0,0|0,0,0]=1 292 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1C MC102544 [0,1,0,0,0,0|1,0,0]=2 293 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1F MC443146 [0,1,0,0,0,0|1,0,0]=2 294 B13R1.3230 COC1=C(Cl)C=CC(C(=O)O)=C1Cl MC433652 [0,1,0,0,0,0|1,0,0]=2 295 B13R1.3230 COC1=C(F)C=CC(B(O)O)=C1F MC432414 [0,1,0,0,0,0|2,0,1]=4 296 B13R1.3230 COC1=C(F)C=CC(C(=O)O)=C1F MC30157 [0,1,0,0,0,0|1,0,0]=2 297 B13R1.3230 COC1=C(F)C=CC(C(=O)O)=C1N CS14710 [0,1,0,0,0,0|1,0,0]=2 298 B13R1.3230 COC1=C(O)C=CC(C(=O)O)=C1N MC442451 [0,1,0,0,0,0|0,0,0]=1 299 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 MC442785 [0,0,0,1,0,0|2,0,0]=3 300 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 CS11018 [0,0,0,1,0,0|1,0,0]=2 301 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 MC106693 [0,0,0,1,0,0|2,0,1]=4 302 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 MC106694 [0,0,0,1,0,0|2,0,1]=4 303 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 CS21041 [0,0,0,1,0,0|1,0,0]=2 304 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 MC31130 [0,0,0,1,0,0|1,1,1]=4 305 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 CS18134 [0,0,0,1,0,0|3,0,0]=4 306 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 CS13765 [0,0,0,1,0,0|2,0,1]=4 307 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=N2 CS20140 [0,0,0,1,0,0|3,0,0]=4 308 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CS21477 [0,0,0,1,0,0|1,0,1]=3 309 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 MC441149 [0,0,0,1,0,0|1,1,1]=4 310 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 CS10225 [0,0,0,1,0,0|1,1,1]=4 311 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 MC441167 [0,0,0,1,0,0|1,0,1]=3 312 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 MC441150 [0,0,0,1,0,0|1,1,1]=4 313 B13R2.430 O=C(O)C1=CC2=NNN=C2C=C1 CS18133 [0,0,0,1,0,0|3,0,0]=4 314 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 CS22275 [0,0,0,1,0,0|2,0,1]=4 315 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 MC444507 [0,0,0,1,0,0|3,0,0]=4 316 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 CS22274 [0,0,0,1,0,0|2,0,1]=4 317 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 CS13050 [0,0,0,1,0,0|3,0,0]=4 318 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 CS14661 [0,0,0,1,0,0|2,0,1]=4 319 B13R2.430 OB(O)C1=CC2=C(C=C1)CCO2 MC102881 [0,0,0,1,0,0|2,0,1]=4 320 B13R2.430 OB(O)C1=CC2=C(C=C1)OCC2 CS20969 [0,0,0,1,0,0|2,0,1]=4 321 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 CS18560 [0,0,0,1,0,0|1,0,1]=3 322 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 CS19593 [0,0,0,0,0,1|1,0,0]=2 323 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 MC433954 [0,0,0,0,0,1|0,0,0]=1 324 B13R1.52 N#CC1=C(Cl)C=CC(CC(=O)O)=C1 MC40153 [0,0,0,0,0,1|3,0,0]=4 325 B13R1.52 N#CC1=C(F)C=CC(CC(=O)O)=C1 MC433945 [0,0,0,0,0,1|3,0,0]=4 326 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [2,0,0,0,0,0|2,0,0]=4 327 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [2,0,0,0,0,0|2,0,0]=4 328 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [2,0,0,0,0,0|2,0,0]=4 329 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [2,0,0,0,0,0|1,0,0]=3 333 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [2,0,0,0,0,0|1,0,0]=3 337 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [2,0,0,0,0,0|2,0,0]=4 340 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [2,0,0,0,0,0|2,0,0]=4 341 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [2,0,0,0,0,0|2,0,0]=4 342 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [2,0,0,0,0,0|1,1,0]=4 343 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [2,0,0,0,0,0|1,0,0]=3 344 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [2,0,0,0,0,0|1,0,1]=4 345 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [2,0,0,0,0,0|2,0,0]=4 346 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [2,0,0,0,0,0|2,0,0]=4 347 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [2,0,0,0,0,0|2,0,0]=4 348 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [2,0,0,0,0,0|2,0,0]=4 349 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [2,0,0,0,0,0|2,0,0]=4 350 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [2,0,0,0,0,0|1,0,0]=3 351 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [2,0,0,0,0,0|1,0,0]=3 352 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [2,0,0,0,0,0|1,0,0]=3 353 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [2,0,0,0,0,0|1,0,0]=3 354 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [2,0,0,0,0,0|0,0,0]=2 355 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [2,0,0,0,0,0|2,0,0]=4 357 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [2,0,0,0,0,0|2,0,0]=4 358 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [2,0,0,0,0,0|2,0,0]=4 359 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [2,0,0,0,0,0|1,0,0]=3 360 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [2,0,0,0,0,0|2,0,0]=4 361 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [2,0,0,0,0,0|2,0,0]=4 362 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [2,0,0,0,0,0|2,0,0]=4 363 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [2,0,0,0,0,0|2,0,0]=4 364 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [2,0,0,0,0,0|1,0,0]=3 365 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [2,0,0,0,0,0|2,0,0]=4 366 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [2,0,0,0,0,0|1,0,1]=4 367 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [2,0,0,0,0,0|1,0,1]=4 368 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [2,0,0,0,0,0|1,0,1]=4 369 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [2,0,0,0,0,0|1,0,1]=4 370 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [2,0,0,0,0,0|1,0,1]=4 371 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [2,0,0,0,0,0|2,0,0]=4 372 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [2,0,0,0,0,0|2,0,0]=4 373 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [2,0,0,0,0,0|2,0,0]=4 374 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [2,0,0,0,0,0|2,0,0]=4 375 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [2,0,0,0,0,0|2,0,0]=4 376 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [2,0,0,0,0,0|2,0,0]=4 377 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [2,0,0,0,0,0|2,0,0]=4 378 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [2,0,0,0,0,0|1,0,0]=3 379 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [2,0,0,0,0,0|1,0,0]=3 380 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [2,0,0,0,0,0|2,0,0]=4 381 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS10529 [2,0,0,0,0,0|1,0,1]=4 382 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [2,0,0,0,0,0|1,0,0]=3 383 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [2,0,0,0,0,0|1,0,0]=3 384 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [2,0,0,0,0,0|2,0,0]=4 385 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [2,0,0,0,0,0|2,0,0]=4 386 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [2,0,0,0,0,0|1,0,0]=3 387 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [2,0,0,0,0,0|0,0,0]=2 388 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [2,0,0,0,0,0|1,0,0]=3 389 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [2,0,0,0,0,0|0,1,0]=3 390 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [2,0,0,0,0,0|2,0,0]=4 391 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [2,0,0,0,0,0|2,0,0]=4 392 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [2,0,0,0,0,0|1,0,0]=3 393 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [2,0,0,0,0,0|2,0,0]=4 394 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [2,0,0,0,0,0|2,0,0]=4 395 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [2,0,0,0,0,0|2,0,0]=4 396 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [2,0,0,0,0,0|2,0,0]=4 397 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [2,0,0,0,0,0|2,0,0]=4 398 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [2,0,0,0,0,0|1,0,0]=3 399 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [2,0,0,0,0,0|2,0,0]=4 400 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [2,0,0,0,0,0|2,0,0]=4 401 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [2,0,0,0,0,0|2,0,0]=4 402 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [2,0,0,0,0,0|2,0,0]=4 403 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [2,0,0,0,0,0|2,0,0]=4 404 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [2,0,0,0,0,0|2,0,0]=4 405 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [2,0,0,0,0,0|1,0,0]=3 406 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [2,0,0,0,0,0|2,0,0]=4 407 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [2,0,0,0,0,0|1,0,0]=3 408 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [2,0,0,0,0,0|2,0,0]=4 409 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [2,0,0,0,0,0|1,0,0]=3 410 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [2,0,0,0,0,0|2,0,0]=4 411 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [2,0,0,0,0,0|1,0,0]=3 412 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [2,0,0,0,0,0|0,0,0]=2 413 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [2,0,0,0,0,0|0,1,0]=3 414 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [2,0,0,0,0,0|2,0,0]=4 415 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [2,0,0,0,0,0|2,0,0]=4 416 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [2,0,0,0,0,0|2,0,0]=4 417 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [2,0,0,0,0,0|1,0,0]=3 418 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [2,0,0,0,0,0|2,0,0]=4 419 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [2,0,0,0,0,0|2,0,0]=4 420 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [2,0,0,0,0,0|2,0,0]=4 421 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [2,0,0,0,0,0|1,0,0]=3 422 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [2,0,0,0,0,0|2,0,0]=4 423 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [2,0,0,0,0,0|2,0,0]=4 424 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [2,0,0,0,0,0|2,0,0]=4 425 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [2,0,0,0,0,0|2,0,0]=4 426 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [2,0,0,0,0,0|1,0,0]=3 427 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [2,0,0,0,0,0|2,0,0]=4 428 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [2,0,0,0,0,0|1,0,1]=4 429 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [2,0,0,0,0,0|1,0,1]=4 430 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 CS22383 [2,0,0,0,0,0|1,0,1]=4 431 B10R1.113 OB(O)C1=CC(O)=CC=C1 MC440047 [2,0,0,0,0,0|1,0,1]=4 432 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 MC41096 [2,0,0,0,0,0|2,0,0]=4 433 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS22664 [2,0,0,0,0,0|1,0,0]=3 434 B10R1.176 CC1=C(Br)C=CC(CO)=C1 MC111151 [2,0,0,0,0,0|1,0,1]=4 435 B10R1.176 CC1=C(C)C=C(C=O)C=C1 MC33166 [2,0,0,0,0,0|1,0,0]=3 436 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [2,0,0,0,0,0|1,0,1]=4 437 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 MC433130 [2,0,0,0,0,0|2,0,0]=4 438 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 MC433419 [2,0,0,0,0,0|1,0,0]=3 439 B10R1.176 CC1=C(F)C=C(C=O)C=C1 MC33065 [2,0,0,0,0,0|2,0,0]=4 440 B10R1.176 CC1=C(F)C=CC(C=O)=C1 MC41117 [2,0,0,0,0,0|1,0,0]=3 441 B10R1.176 CC1=C(F)C=CC(C=O)=N1 CS12797 [2,0,0,0,0,0|2,0,0]=4 442 B10R1.176 CC1=C(O)C=C(C=O)C=C1 MC41122 [2,0,0,0,0,0|1,0,0]=3 443 B10R1.176 CC1=C(O)C=CC(C#N)=C1 CS17416 [2,0,0,0,0,0|1,0,1]=4 444 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [2,0,0,0,0,0|0,0,0]=2 445 B10R1.176 CC1=C(O)C=CC(CN)=C1 MC445599 [2,0,0,0,0,0|1,0,1]=4 446 B10R1.176 CC1=CC(C=O)=CN=C1O MC442266 [2,0,0,0,0,0|1,0,0]=3 447 B10R1.176 CC1=NC=C(C=O)C=C1O MC430648 [2,0,0,0,0,0|2,0,0]=4 448 B10R1.176 CCC1=CC=C(O)C(O)=C1 MC441226 [2,0,0,0,0,0|1,0,1]=4 449 B10R1.176 COC1=CC(C)=C(O)C=C1 CS15470 [2,0,0,0,0,0|2,0,0]=4 450 B10R1.176 COC1=CC=C(O)C(O)=C1 MC442392 [2,0,0,0,0,0|2,0,0]=4 451 B10R1.176 N#CC1=CC(O)=C(O)C=C1 MC20147 [2,0,0,0,0,0|1,0,1]=4 452 B10R1.176 NCC1=CC(O)=C(O)C=C1 MC425646 [2,0,0,0,0,0|1,0,1]=4 453 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 MC430425 [2,0,0,0,0,0|2,0,0]=4 454 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 CS12700 [2,0,0,0,0,0|2,0,0]=4 455 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 CS10229 [2,0,0,0,0,0|2,0,0]=4 456 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 MC20184 [2,0,0,0,0,0|1,0,0]=3 457 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 CS12259 [2,0,0,0,0,0|2,0,0]=4 458 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 CS19889 [2,0,0,0,0,0|2,0,0]=4 459 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 MC20026 [2,0,0,0,0,0|2,0,0]=4 460 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 CS10232 [2,0,0,0,0,0|2,0,0]=4 461 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 CS10264 [2,0,0,0,0,0|2,0,0]=4 462 B10R1.176 O=CC1=CC(F)=C(F)C=C1 CS14168 [2,0,0,0,0,0|2,0,0]=4 463 B10R1.176 O=CC1=CC(F)=C(I)C=C1 CS10296 [2,0,0,0,0,0|2,0,0]=4 464 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS10367 [2,0,0,0,0,0|1,0,0]=3 465 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 MC431061 [2,0,0,0,0,0|2,0,0]=4 466 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 MC441220 [2,0,0,0,0,0|2,0,0]=4 467 B10R1.176 O=CC1=CC(I)=C(F)C=C1 MC20286 [2,0,0,0,0,0|2,0,0]=4 468 B10R1.176 O=CC1=CC(I)=C(I)C=C1 MC431060 [2,0,0,0,0,0|2,0,0]=4 469 B10R1.176 O=CC1=CC(I)=C(O)C=C1 MC429971 [2,0,0,0,0,0|1,0,0]=3 470 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 MC41092 [2,0,0,0,0,0|1,0,0]=3 471 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 CS15259 [2,0,0,0,0,0|1,0,0]=3 472 B10R1.176 O=CC1=CC(O)=C(F)C=C1 MC41115 [2,0,0,0,0,0|1,0,0]=3 473 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [2,0,0,0,0,0|0,0,0]=2 474 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS21356 [2,0,0,0,0,0|1,0,1]=4 475 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS16027 [2,0,0,0,0,0|1,0,1]=4 476 B10R1.176 OCC1=CC(O)=C(I)C=C1 MC33283 [2,0,0,0,0,0|1,0,1]=4 477 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [2,0,0,0,0,0|1,0,0]=3 478 B10R1.172 CNC1=CC=CC(CO)=C1 MC115827 [2,0,0,0,0,0|1,0,1]=4 479 B10R1.172 COC1=CC(C=O)=NC=C1 MC425477 [2,0,0,0,0,0|1,0,0]=3 480 B10R1.172 COC1=CC(CO)=NC=C1 MC31070 [2,0,0,0,0,0|1,0,1]=4 481 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [2,0,0,0,0,0|0,0,0]=2 482 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [2,0,0,0,0,0|1,0,0]=3 483 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [2,0,0,0,0,0|1,0,1]=4 484 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [2,0,0,0,0,0|1,0,1]=4 485 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [2,0,0,0,0,0|0,0,1]=3 486 B10R1.172 COC1=CC=CC(NN)=C1 CS19580 [2,0,0,0,0,0|2,0,0]=4 487 B10R1.172 COC1=CC=CC(OC)=C1 CS19845 [2,0,0,0,0,0|2,0,0]=4 488 B10R1.172 COC1=CN=CC(C=O)=C1 CS17827 [2,0,0,0,0,0|1,0,0]=3 489 B10R1.172 COC1=NC=CC(C=O)=C1 CS15775 [2,0,0,0,0,0|1,0,0]=3 490 B10R1.172 COC1=NC=CC(C=O)=N1 CS12643 [2,0,0,0,0,0|2,0,0]=4 491 B10R1.172 COC1=NC=CC(CO)=C1 CS12823 [2,0,0,0,0,0|1,0,1]=4 492 B10R1.172 N#CC1=CC(C=O)=CC=C1 CS14027 [2,0,0,0,0,0|2,0,0]=4 493 B10R1.172 O=CC1=CC(CBr)=CC=C1 MC430420 [2,0,0,0,0,0|2,0,0]=4 494 B10R1.172 O=CC1=CC=CC(C=O)=C1 CS20788 [2,0,0,0,0,0|2,0,0]=4 495 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 MC20088 [2,0,0,0,0,0|2,0,0]=4 496 B10R1.30 CCC1=C(F)C=CC(O)=C1 MC442497 [2,0,0,0,0,0|2,0,0]=4 497 B10R1.30 COC1=C(Br)C=CC(Br)=C1 CS12737 [2,0,0,0,0,0|2,0,0]=4 498 B10R1.30 COC1=C(Br)C=CC(C)=C1 MC20209 [2,0,0,0,0,0|1,0,1]=4 499 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 CS21371 [2,0,0,0,0,0|2,0,0]=4 500 B10R1.30 COC1=C(Br)C=CC(F)=C1 CS10394 [2,0,0,0,0,0|2,0,0]=4 501 B10R1.30 COC1=C(Br)C=CC(I)=C1 MC33199 [2,0,0,0,0,0|2,0,0]=4 502 B10R1.30 COC1=C(Br)C=CC(N)=C1 CS18102 [2,0,0,0,0,0|2,0,0]=4 503 B10R1.30 COC1=C(Br)C=CC(O)=C1 MC443538 [2,0,0,0,0,0|1,0,0]=3 504 B10R1.30 COC1=C(C)C=CC(Cl)=C1 MC33132 [2,0,0,0,0,0|2,0,0]=4 505 B10R1.30 COC1=C(C)C=CC(N)=C1 MC40926 [2,0,0,0,0,0|2,0,0]=4 506 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 MC33062 [2,0,0,0,0,0|2,0,0]=4 507 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 MC33073 [2,0,0,0,0,0|2,0,0]=4 508 B10R1.30 COC1=C(Cl)C=CC(F)=C1 MC41328 [2,0,0,0,0,0|2,0,0]=4 509 B10R1.30 COC1=C(Cl)C=CC(I)=C1 MC20290 [2,0,0,0,0,0|2,0,0]=4 510 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS22759 [2,0,0,0,0,0|2,0,0]=4 511 B10R1.30 COC1=C(Cl)C=CC(O)=C1 MC441231 [2,0,0,0,0,0|1,0,0]=3 512 B10R1.30 COC1=C(Cl)N=CC(O)=C1 MC103609 [2,0,0,0,0,0|2,0,0]=4 513 B10R1.30 COC1=C(F)C=CC(Br)=C1 CS19804 [2,0,0,0,0,0|2,0,0]=4 514 B10R1.30 COC1=C(F)C=CC(F)=C1 MC41336 [2,0,0,0,0,0|2,0,0]=4 515 B10R1.30 COC1=C(F)C=CC(N)=C1 CS10516 [2,0,0,0,0,0|2,0,0]=4 516 B10R1.30 COC1=C(F)C=CC(O)=C1 CS16180 [2,0,0,0,0,0|1,0,0]=3 517 B10R1.30 COC1=C(I)C=CC(Br)=C1 MC41321 [2,0,0,0,0,0|2,0,0]=4 518 B10R1.30 COC1=C(I)C=CC(Cl)=C1 MC20291 [2,0,0,0,0,0|2,0,0]=4 519 B10R1.30 COC1=C(I)C=CC(F)=C1 MC41340 [2,0,0,0,0,0|2,0,0]=4 520 B10R1.30 COC1=C(I)C=CC(I)=C1 MC442228 [2,0,0,0,0,0|2,0,0]=4 521 B10R1.30 COC1=C(N)C=CC(Br)=C1 CS19178 [2,0,0,0,0,0|2,0,0]=4 522 B10R1.30 COC1=C(N)C=CC(Cl)=C1 MC30210 [2,0,0,0,0,0|2,0,0]=4 523 B10R1.30 COC1=C(N)C=CC(F)=C1 CS12096 [2,0,0,0,0,0|2,0,0]=4 524 B10R1.30 COC1=C(N)C=CC(F)=C1 MC40917 [2,0,0,0,0,0|2,0,0]=4 525 B10R1.30 COC1=C(N)C=CC(I)=C1 MC21014 [2,0,0,0,0,0|2,0,0]=4 526 B10R1.30 COC1=C(N)C=CC(N)=C1 CS21132 [2,0,0,0,0,0|2,0,0]=4 527 B10R1.30 COC1=C(O)C=CC(Br)=C1 CS22682 [2,0,0,0,0,0|1,0,0]=3 528 B10R1.30 COC1=C(O)C=CC(C)=C1 CS16322 [2,0,0,0,0,0|0,0,1]=3 529 B10R1.30 COC1=C(O)C=CC(Cl)=C1 MC41171 [2,0,0,0,0,0|1,0,0]=3 530 B10R1.30 COC1=C(O)C=CC(F)=C1 MC41195 [2,0,0,0,0,0|1,0,0]=3 531 B10R1.30 COC1=C(O)C=CC(I)=C1 MC41200 [2,0,0,0,0,0|1,0,0]=3 532 B10R1.30 COC1=C(O)C=CC(N)=C1 MC41143 [2,0,0,0,0,0|1,0,0]=3 533 B10R1.30 COC1=C(O)C=CC(N)=C1 MC442300 [2,0,0,0,0,0|1,0,0]=3 534 B10R1.30 COC1=C(O)C=CC(O)=C1 MC33205 [2,0,0,0,0,0|0,0,0]=2 535 B10R1.30 COC1=C(O)C=NC(Br)=C1 MC429892 [2,0,0,0,0,0|2,0,0]=4 536 B10R1.30 COC1=CC(O)=CN=C1Br MC429848 [2,0,0,0,0,0|2,0,0]=4 537 B10R1.30 COC1=CC(O)=NC=C1Br MC429897 [2,0,0,0,0,0|2,0,0]=4 538 B10R1.30 O=CC1=C(O)C=CC(O)=C1 MC20094 [2,0,0,0,0,0|2,0,0]=4 539 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 MC433227 [1,1,0,0,0,0|2,0,0]=4 540 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 CS15153 [1,1,0,0,0,0|1,0,0]=3 541 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=N1 MC431550 [1,1,0,0,0,0|2,0,0]=4 542 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 CS14645 [1,1,0,0,0,0|2,0,0]=4 543 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 CS17356 [1,1,0,0,0,0|2,0,0]=4 544 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 MC111592 [1,1,0,0,0,0|2,0,0]=4 545 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 CS11019 [1,1,0,0,0,0|2,0,0]=4 546 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 CS10651 [1,1,0,0,0,0|2,0,0]=4 547 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 MC442901 [1,1,0,0,0,0|1,0,1]=4 548 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 MC30268 [1,1,0,0,0,0|0,0,0]=2 549 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 MC41263 [1,1,0,0,0,0|1,0,0]=3 550 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 MC433395 [1,1,0,0,0,0|1,0,1]=4 551 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 MC30277 [1,1,0,0,0,0|1,0,0]=3 552 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 MC40477 [1,1,0,0,0,0|2,0,0]=4 553 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 MC30258 [1,1,0,0,0,0|1,0,0]=3 554 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 MC40229 [1,1,0,0,0,0|1,0,0]=3 555 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 MC113665 [1,1,0,0,0,0|1,0,1]=4 556 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 CS10864 [1,1,0,0,0,0|0,0,0]=2 557 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 CS22927 [1,1,0,0,0,0|1,0,0]=3 558 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 CS15430 [1,1,0,0,0,0|1,0,1]=4 559 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl MC104263 [1,1,0,0,0,0|2,0,0]=4 560 B12R1.48 COC1=CN=C(C(=O)O)C=C1O MC431993 [1,1,0,0,0,0|1,0,0]=3 561 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl MC20740 [1,1,0,0,0,0|2,0,0]=4 562 B12R1.48 COC1=NC=C(C(=O)O)C=C1F CS13290 [1,1,0,0,0,0|2,0,0]=4 563 B12R1.48 COc1ccc(C(C)=O)cc1F MC30259 [1,1,0,0,0,0|2,0,0]=4 564 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 CS13841 [1,1,0,0,0,0|2,0,0]=4 565 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 MC442234 [1,1,0,0,0,0|1,0,1]=4 566 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 CS18398 [1,1,0,0,0,0|0,0,1]=3 567 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 MC427435 [1,1,0,0,0,0|0,0,1]=3 568 B12R1.232 CC(=O)C1=C(O)C=C(O)C(Cl)=C1 MC445475 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.232 CC1=C(C(=O)O)C=C(F)C(F)=C1 MC433083 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F MC20023 [1,1,0,0,0,0|2,0,0]=4 571 B12R1.232 CC1=CC(C(=O)Cl)=C(Cl)C=C1Cl MC109869 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F MC20021 [1,1,0,0,0,0|1,0,0]=3 573 B12R1.232 CC1=CC(C(=O)O)=C(Cl)N=C1C CS13795 [1,1,0,0,0,0|2,0,0]=4 574 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1Br CS22641 [1,1,0,0,0,0|1,0,0]=3 575 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F CS20022 [1,1,0,0,0,0|1,0,0]=3 576 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1Br MC442289 [1,1,0,0,0,0|2,0,0]=4 577 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C MC40317 [1,1,0,0,0,0|1,0,0]=3 578 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F CS18575 [1,1,0,0,0,0|2,0,0]=4 579 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1O CS15678 [1,1,0,0,0,0|1,0,0]=3 580 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C MC433576 [1,1,0,0,0,0|1,0,0]=3 581 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1O MC102236 [1,1,0,0,0,0|1,0,0]=3 582 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I MC433697 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.232 CC1=CC(O)=C(C)C=C1[N+](=O)[O-] MC41186 [1,1,0,0,0,0|1,0,1]=4 584 B12R1.232 NC1=C(C(=O)O)C=C(Br)C(Br)=C1 MC433568 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 CS21240 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 CS15021 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.232 NC1=C(C(=O)O)C=C(F)C(F)=C1 CS10345 [1,1,0,0,0,0|2,0,0]=4 588 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl MC433570 [1,1,0,0,0,0|2,0,0]=4 589 B12R1.232 NC1=CC(Cl)=C(Cl)C=C1C(=O)O MC20250 [1,1,0,0,0,0|2,0,0]=4 590 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1F MC433079 [1,1,0,0,0,0|2,0,0]=4 591 B12R1.232 O=C(O)C1=C(Br)C=C(F)C(F)=C1 CS21347 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(F)=C1 MC20020 [1,1,0,0,0,0|2,0,0]=4 593 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=C1 CS19935 [1,1,0,0,0,0|2,0,0]=4 594 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 MC20018 [1,1,0,0,0,0|2,0,0]=4 595 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(F)=C1 CS19681 [1,1,0,0,0,0|2,0,0]=4 596 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(F)=C1 CS15117 [1,1,0,0,0,0|2,0,0]=4 597 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 CS10290 [1,1,0,0,0,0|2,0,0]=4 598 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 CS14091 [1,1,0,0,0,0|2,0,0]=4 599 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 MC30314 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Br)=C1 CS15921 [1,1,0,0,0,0|2,0,0]=4 601 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Cl)=C1 CS19683 [1,1,0,0,0,0|2,0,0]=4 602 B12R1.232 O=C(O)C1=C(F)C=C(F)C(F)=C1 CS19752 [1,1,0,0,0,0|2,0,0]=4 603 B12R1.232 O=C(O)C1=C(F)C=C(F)C(I)=C1 MC431229 [1,1,0,0,0,0|2,0,0]=4 604 B12R1.232 O=C(O)C1=C(I)C=C(F)C(F)=C1 MC433137 [1,1,0,0,0,0|2,0,0]=4 605 B12R1.232 O=C(O)C1=C(O)C=C(Cl)C(Cl)=C1 MC432263 [1,1,0,0,0,0|2,0,0]=4 606 B12R1.367 CC1=C(Br)C=CC(C(=O)CBr)=C1 MC113998 [1,1,0,0,0,0|2,0,0]=4 607 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 CS21663 [1,1,0,0,0,0|2,0,0]=4 608 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 CS22151 [1,1,0,0,0,0|2,0,0]=4 609 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 CS13492 [1,1,0,0,0,0|2,0,0]=4 610 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 CS13829 [1,1,0,0,0,0|1,0,0]=3 611 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 CS13733 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 CS11642 [1,1,0,0,0,0|1,0,0]=3 613 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 CS13467 [1,1,0,0,0,0|1,0,0]=3 614 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 MC40109 [1,1,0,0,0,0|1,0,0]=3 615 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 CS13862 [1,1,0,0,0,0|1,0,0]=3 616 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 CS14199 [1,1,0,0,0,0|2,0,0]=4 617 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 MC40083 [1,1,0,0,0,0|1,0,0]=3 618 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 MC30260 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 CS14385 [1,1,0,0,0,0|2,0,0]=4 620 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 CS14421 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 MC40097 [1,1,0,0,0,0|2,0,0]=4 622 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 CS14018 [1,1,0,0,0,0|2,0,0]=4 623 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 CS19409 [1,1,0,0,0,0|2,0,0]=4 624 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 CS18837 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 CS11645 [1,1,0,0,0,0|1,0,0]=3 626 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 CS11615 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 CS10899 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 CS11616 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 CS11618 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 CS20450 [1,1,0,0,0,0|2,0,0]=4 631 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 CS11617 [1,1,0,0,0,0|1,0,0]=3 632 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 CS11639 [1,1,0,0,0,0|1,0,0]=3 633 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 CS15706 [1,1,0,0,0,0|1,0,0]=3 634 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 CS11687 [1,1,0,0,0,0|1,0,0]=3 635 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 CS21024 [1,1,0,0,0,0|1,0,0]=3 636 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 CS20955 [1,1,0,0,0,0|0,0,0]=2 637 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 MC427483 [1,1,0,0,0,0|1,1,0]=4 638 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 MC443715 [1,1,0,0,0,0|2,0,0]=4 639 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 CS17661 [1,1,0,0,0,0|2,0,0]=4 640 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 CS17660 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 MC431245 [1,1,0,0,0,0|2,0,0]=4 642 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 CS16719 [1,1,0,0,0,0|2,0,0]=4 643 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 MC428183 [1,1,0,0,0,0|2,0,0]=4 644 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 MC102411 [1,1,0,0,0,0|1,0,0]=3 645 B12R1.367 COC(=O)C1=NC=C(Br)C(C)=C1 CS17574 [1,1,0,0,0,0|2,0,0]=4 646 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 MC102001 [1,1,0,0,0,0|1,0,0]=3 647 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1F MC31065 [1,1,0,0,0,0|2,0,0]=4 648 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 CS14576 [1,1,0,0,0,0|1,0,0]=3 649 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1Cl CS12720 [1,1,0,0,0,0|1,0,0]=3 650 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F CS19820 [1,1,0,0,0,0|1,0,0]=3 651 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C MC30138 [1,1,0,0,0,0|1,0,0]=3 652 B12R1.893 CC1=C(O)C=CC([N+](=O)[O-])=C1C CS21007 [1,1,0,0,0,0|1,0,1]=4 653 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl CS21226 [1,1,0,0,0,0|2,0,0]=4 654 B12R1.893 NC1=C(C(=O)O)C=CC(F)=C1F MC30133 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.893 NC1=C(F)C(F)=C(C(=O)O)C=C1 MC433572 [1,1,0,0,0,0|2,0,0]=4 656 B12R1.893 O=C(O)C1=C(Br)C(Br)=C(F)C=C1 MC108858 [1,1,0,0,0,0|2,0,0]=4 657 B12R1.893 O=C(O)C1=C(Br)C(F)=C(Br)C=C1 MC108860 [1,1,0,0,0,0|2,0,0]=4 658 B12R1.893 O=C(O)C1=C(Br)C(F)=C(F)C=C1 CS12732 [1,1,0,0,0,0|2,0,0]=4 659 B12R1.893 O=C(O)C1=C(Br)C(O)=C(Br)C=C1 MC442960 [1,1,0,0,0,0|1,0,0]=3 660 B12R1.893 O=C(O)C1=C(Cl)C(Br)=C(Cl)C=C1 CS17192 [1,1,0,0,0,0|2,0,0]=4 661 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(F)C=C1 CS21013 [1,1,0,0,0,0|2,0,0]=4 662 B12R1.893 O=C(O)C1=C(Cl)C(O)=C(Br)C=C1 MC442961 [1,1,0,0,0,0|1,0,0]=3 663 B12R1.893 O=C(O)C1=C(F)C(Br)=C(Br)C=C1 MC108862 [1,1,0,0,0,0|2,0,0]=4 664 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 MC40249 [1,1,0,0,0,0|2,0,0]=4 665 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 MC20269 [1,1,0,0,0,0|2,0,0]=4 666 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 CS22731 [1,1,0,0,0,0|2,0,0]=4 667 B12R1.893 O=C(O)C1=C(F)C(F)=C(F)C=C1 MC30124 [1,1,0,0,0,0|2,0,0]=4 668 B12R1.893 O=C(O)C1=C(F)C(F)=C(O)C=C1 MC40268 [1,1,0,0,0,0|1,0,0]=3 669 B12R1.893 O=C(O)C1=C(F)C(O)=C(F)C=C1 MC20265 [1,1,0,0,0,0|1,0,0]=3 670 B12R1.893 O=C(O)C1=C(O)C(F)=C(F)C=C1 MC40271 [1,1,0,0,0,0|2,0,0]=4 671 B12R1.893 O=C(O)C1=C(O)C(O)=C(Br)C=C1 MC442962 [1,1,0,0,0,0|1,0,0]=3 672 B12R1.1005 CC(=O)C1=CC(Cl)=C(Cl)C(C)=C1 MC109833 [1,1,0,0,0,0|2,0,0]=4 673 B12R1.1005 CC(=O)C1=CC(F)=C(F)C(C)=C1 MC110192 [1,1,0,0,0,0|2,0,0]=4 674 B12R1.1005 CC(=O)c1cc(Br)c(O)c(Br)c1 MC433230 [1,1,0,0,0,0|2,0,0]=4 675 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl CS14273 [1,1,0,0,0,0|2,0,0]=4 676 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1I MC425101 [1,1,0,0,0,0|2,0,0]=4 677 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O CS12744 [1,1,0,0,0,0|1,0,0]=3 678 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1F MC433581 [1,1,0,0,0,0|2,0,0]=4 679 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1N MC40264 [1,1,0,0,0,0|2,0,0]=4 680 B12R1.1005 CC1=CC(C(=O)Cl)=CC(Cl)=C1Cl MC109872 [1,1,0,0,0,0|2,0,0]=4 681 B12R1.1005 CC1=CC(C(=O)Cl)=CC(F)=C1F MC110261 [1,1,0,0,0,0|2,0,0]=4 682 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br MC433601 [1,1,0,0,0,0|1,0,0]=3 683 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N CS14704 [1,1,0,0,0,0|1,0,0]=3 684 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1Br MC106554 [1,1,0,0,0,0|2,0,0]=4 685 B12R1.1005 CC1=CC(C(N)=O)=CC(Cl)=C1Cl MC109840 [1,1,0,0,0,0|2,0,0]=4 686 B12R1.1005 CC1=CC(C(N)=O)=CC(F)=C1F MC110207 [1,1,0,0,0,0|2,0,0]=4 687 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(C)=C1O MC41187 [1,1,0,0,0,0|1,0,1]=4 688 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1Br CS20067 [1,1,0,0,0,0|2,0,0]=4 689 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1F CS17397 [1,1,0,0,0,0|2,0,0]=4 690 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 MC20816 [1,1,0,0,0,0|2,0,0]=4 691 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl MC433569 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F MC433573 [1,1,0,0,0,0|2,0,0]=4 693 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(F)=C1 MC433597 [1,1,0,0,0,0|2,0,0]=4 694 B12R1.1005 O=C(O)C1=CC(Br)=C(O)C(Br)=C1 CS14160 [1,1,0,0,0,0|1,0,0]=3 695 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 CS12584 [1,1,0,0,0,0|2,0,0]=4 696 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(Cl)=C1 MC30110 [1,1,0,0,0,0|2,0,0]=4 697 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 MC433620 [1,1,0,0,0,0|2,0,0]=4 698 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 MC443792 [1,1,0,0,0,0|0,0,0]=2 699 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 CS16587 [1,1,0,0,0,0|2,0,0]=4 700 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 MC40250 [1,1,0,0,0,0|2,0,0]=4 701 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 MC30091 [1,1,0,0,0,0|2,0,0]=4 702 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 MC40272 [1,1,0,0,0,0|1,0,0]=3 703 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 MC442375 [1,1,0,0,0,0|1,0,0]=3 704 B12R1.1005 O=C(O)C1=CC(O)=C(Br)C(O)=C1 MC40237 [1,1,0,0,0,0|1,0,0]=3 705 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 MC427033 [1,1,0,0,0,0|0,0,0]=2 706 B12R1.11 CC1=CC(C(=O)O)=CC(C#N)=C1 MC433641 [1,1,0,0,0,0|2,0,0]=4 707 B12R1.11 COC1=CC(B(O)O)=CC(Cl)=C1 MC20064 [1,1,0,0,0,0|1,0,1]=4 708 B12R1.11 COC1=CC(B(O)O)=CC(F)=C1 MC31169 [1,1,0,0,0,0|1,0,1]=4 709 B12R1.11 COC1=CC(Br)=CC([N+](=O)[O-])=C1 CS19857 [1,1,0,0,0,0|1,0,1]=4 710 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=C1 CS12659 [1,1,0,0,0,0|0,0,0]=2 711 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=C1 CS18499 [1,1,0,0,0,0|0,0,0]=2 712 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=N1 MC425638 [1,1,0,0,0,0|1,0,0]=3 713 B12R1.11 COC1=CC(C(=O)O)=CC(F)=C1 CS14195 [1,1,0,0,0,0|0,0,0]=2 714 B12R1.11 COC1=CC(C(=O)O)=CC(I)=C1 MC442512 [1,1,0,0,0,0|0,0,0]=2 715 B12R1.11 COC1=CC(C(=O)O)=CC(N)=C1 MC442511 [1,1,0,0,0,0|0,0,0]=2 716 B12R1.11 COC1=CC(C(=O)O)=CC(O)=C1 CS17363 [1,1,0,0,0,0|0,0,0]=2 717 B12R1.11 COC1=CC(C(=O)O)=NC(Cl)=C1 CS15318 [1,1,0,0,0,0|1,0,0]=3 718 B12R1.11 COC1=CC(C)=CC(B(O)O)=C1 MC443378 [1,1,0,0,0,0|1,0,1]=4 719 B12R1.11 COC1=CC(C)=CC(C(=O)O)=C1 CS13171 [1,1,0,0,0,0|0,0,0]=2 720 B12R1.11 COC1=CC(Cl)=CC(C(=O)O)=N1 MC111775 [1,1,0,0,0,0|1,0,0]=3 721 B12R1.11 COC1=CC(Cl)=CC([N+](=O)[O-])=C1 MC41332 [1,1,0,0,0,0|1,0,1]=4 722 B12R1.11 COC1=CC([N+](=O)[O-])=CC(F)=C1 MC33189 [1,1,0,0,0,0|1,0,1]=4 723 B12R1.11 N#CC1=CC(C(=O)O)=CC(Cl)=C1 CS14392 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.11 N#CC1=CC(F)=CC(C(=O)O)=C1 MC40262 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.11 N#CC1=CC(O)=CC(C(=O)O)=C1 MC442293 [1,1,0,0,0,0|2,0,0]=4 726 B12R1.11 O=CC1=CC(C(=O)O)=CC(Br)=C1 MC106995 [1,1,0,0,0,0|2,0,0]=4 727 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 MC443482 [1,1,0,0,0,0|2,0,0]=4 728 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=C1 MC40222 [1,1,0,0,0,0|1,0,0]=3 729 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=N1 MC430982 [1,1,0,0,0,0|2,0,0]=4 730 B12R1.258 CC(=O)C1=CC=CC(C(C)=O)=C1 MC428364 [1,1,0,0,0,0|2,0,0]=4 731 B12R1.258 CC(C)C1=CC=CC(C(=O)O)=N1 MC102189 [1,1,0,0,0,0|2,0,0]=4 732 B12R1.258 CC(C)C1=NC=CC(C(=O)O)=C1 MC443732 [1,1,0,0,0,0|2,0,0]=4 733 B12R1.258 CN(C)C1=CC=CC(C(=O)O)=C1 CS16448 [1,1,0,0,0,0|1,0,0]=3 734 B12R1.258 O=C(O)C1=CC(B(O)O)=CC=C1 CS10455 [1,1,0,0,0,0|2,0,0]=4 735 B12R1.258 O=C(O)C1=CC([N+](=O)[O-])=CC=C1 MC40308 [1,1,0,0,0,0|2,0,0]=4 736 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=C1 MC40319 [1,1,0,0,0,0|2,0,0]=4 737 B12R1.279 CCCC1=CC=CC(C(=O)O)=C1 MC431660 [1,1,0,0,0,0|1,0,0]=3 738 B12R1.279 CCOC1=CC=CC(C(=O)O)=C1 MC443261 [1,1,0,0,0,0|0,0,0]=2 739 B12R1.279 COCC1=CC=CC(B(O)O)=C1 MC442924 [1,1,0,0,0,0|1,0,1]=4 740 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 CS16050 [1,1,0,0,0,0|1,0,1]=4 741 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 CS22346 [1,1,0,0,0,0|1,0,0]=3 742 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 CS18708 [1,1,0,0,0,0|2,0,0]=4 743 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 CS21632 [1,1,0,0,0,0|2,0,0]=4 744 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 CS21662 [1,1,0,0,0,0|2,0,0]=4 745 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 CS11610 [1,1,0,0,0,0|2,0,0]=4 746 B12R1.435 COC(=O)C1=CC(OC)=NC=C1 CS11608 [1,1,0,0,0,0|1,0,0]=3 747 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 MC425550 [1,1,0,0,0,0|1,0,0]=3 748 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 CS21029 [1,1,0,0,0,0|1,0,0]=3 749 B12R1.435 COC(=O)c1cccc(SCl)c1 MC433971 [1,1,0,0,0,0|1,1,0]=4 750 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 CS11021 [1,1,0,0,0,0|1,0,0]=3 751 B12R1.435 COC1=CC=CC(C(=O)NN)=C1 MC41005 [1,1,0,0,0,0|1,0,0]=3 752 B12R1.435 COC1=CC=CC(C(=O)NN)=N1 MC425563 [1,1,0,0,0,0|2,0,0]=4 753 B12R1.436 COC1=CC=CC(S(=O)(=O)Cl)=C1 MC433928 [1,1,0,0,0,0|1,0,1]=4 754 B12R1.440 CCC1=CC=CC(C(=O)O)=C1N MC442315 [1,1,0,0,0,0|1,0,0]=3 755 B12R1.440 COC1=C(Br)C([N+](=O)[O-])=CC=C1 CS20185 [1,1,0,0,0,0|1,0,1]=4 756 B12R1.440 COC1=C(C)C(C(=O)O)=CN=C1 MC102710 [1,1,0,0,0,0|1,0,0]=3 757 B12R1.440 COC1=C(C)C(C(=O)O)=NC=C1 MC102700 [1,1,0,0,0,0|1,0,0]=3 758 B12R1.440 COC1=C(C)C([N+](=O)[O-])=CC=C1 CS21011 [1,1,0,0,0,0|1,0,1]=4 759 B12R1.440 COC1=C(Cl)C([N+](=O)[O-])=CC=C1 CS10965 [1,1,0,0,0,0|1,0,1]=4 760 B12R1.440 COC1=C(N)C([N+](=O)[O-])=CC=C1 CS21647 [1,1,0,0,0,0|1,0,1]=4 761 B12R1.440 COC1=C(O)C([N+](=O)[O-])=CC=C1 CS17036 [1,1,0,0,0,0|1,0,1]=4 762 B12R1.440 COC1=CC=CC(B(O)O)=C1Cl CS17540 [1,1,0,0,0,0|1,0,1]=4 763 B12R1.440 COC1=CC=CC(B(O)O)=C1F MC31127 [1,1,0,0,0,0|1,0,1]=4 764 B12R1.440 COC1=CC=CC(B(O)O)=C1O MC442853 [1,1,0,0,0,0|1,0,1]=4 765 B12R1.440 COC1=CC=CC(C(=O)O)=C1C CS21110 [1,1,0,0,0,0|0,0,0]=2 766 B12R1.440 COC1=CC=CC(C(=O)O)=C1Cl CS21433 [1,1,0,0,0,0|0,0,0]=2 767 B12R1.440 COC1=CC=CC(C(=O)O)=C1F CS13642 [1,1,0,0,0,0|0,0,0]=2 768 B12R1.440 COC1=CC=CC(C(=O)O)=C1N CS21008 [1,1,0,0,0,0|0,0,0]=2 769 B12R1.440 COC1=CC=CC(C(=O)O)=C1O CS20952 [1,1,0,0,0,0|0,0,0]=2 770 B12R1.440 COC1=CC=CC(C(C)=O)=C1O MC103731 [1,1,0,0,0,0|1,0,0]=3 771 B12R1.440 COC1=NC=CC(C(=O)O)=C1C CS17098 [1,1,0,0,0,0|1,0,0]=3 772 B12R1.440 COC1=NC=CC(C(=O)O)=C1F MC432576 [1,1,0,0,0,0|1,0,0]=3 773 B12R1.440 COC1=NC=CC(C(=O)O)=C1N MC33292 [1,1,0,0,0,0|1,0,0]=3 774 B12R1.440 N#CC1=CC=CC(C(=O)O)=C1F MC433084 [1,1,0,0,0,0|2,0,0]=4 775 B12R1.440 N#CC1=CC=CC(C(=O)O)=C1N MC442275 [1,1,0,0,0,0|2,0,0]=4 776 B12R1.440 N#CC1=CC=CC(C(=O)O)=C1O MC441060 [1,1,0,0,0,0|2,0,0]=4 777 B12R1.440 O=C(O)C1=C(F)C(CO)=CC=C1 MC20788 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.453 CCC1=CC(C(=O)O)=C(N)C=C1 MC442593 [1,1,0,0,0,0|1,0,0]=3 779 B12R1.453 COC1=CC(B(O)O)=C(C)C=C1 CS15296 [1,1,0,0,0,0|1,0,1]=4 780 B12R1.453 COC1=CC(B(O)O)=C(Cl)C=C1 MC41814 [1,1,0,0,0,0|1,0,1]=4 781 B12R1.453 COC1=CC(B(O)O)=C(F)C=C1 CS21871 [1,1,0,0,0,0|1,0,1]=4 782 B12R1.453 COC1=CC(B(O)O)=C(O)C=C1 MC441709 [1,1,0,0,0,0|1,0,1]=4 783 B12R1.453 COC1=CC(C(=O)O)=C(Br)C=C1 CS20817 [1,1,0,0,0,0|0,0,0]=2 784 B12R1.453 COC1=CC(C(=O)O)=C(C)C=C1 CS21096 [1,1,0,0,0,0|0,0,0]=2 785 B12R1.453 COC1=CC(C(=O)O)=C(Cl)C=C1 CS20831 [1,1,0,0,0,0|0,0,0]=2 786 B12R1.453 COC1=CC(C(=O)O)=C(Cl)N=C1 MC103602 [1,1,0,0,0,0|1,0,0]=3 787 B12R1.453 COC1=CC(C(=O)O)=C(F)N=C1 MC430392 [1,1,0,0,0,0|1,0,0]=3 788 B12R1.453 COC1=CC(C(=O)O)=C(I)C=C1 CS13437 [1,1,0,0,0,0|0,0,0]=2 789 B12R1.453 COC1=CC(C(=O)O)=C(N)C=C1 CS21282 [1,1,0,0,0,0|0,0,0]=2 790 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 MC446638 [1,1,0,0,0,0|1,0,0]=3 791 B12R1.453 COC1=CC(C(N)=O)=C(N)C=C1 CS14000 [1,1,0,0,0,0|1,0,0]=3 792 B12R1.453 COC1=CC([N+](=O)[O-])=C(Br)C=C1 MC20114 [1,1,0,0,0,0|1,0,1]=4 793 B12R1.453 COC1=CC([N+](=O)[O-])=C(C)C=C1 MC433394 [1,1,0,0,0,0|1,0,1]=4 794 B12R1.453 COC1=CC([N+](=O)[O-])=C(Cl)C=C1 CS20215 [1,1,0,0,0,0|1,0,1]=4 795 B12R1.453 COC1=CC([N+](=O)[O-])=C(F)C=C1 CS12131 [1,1,0,0,0,0|1,0,1]=4 796 B12R1.453 COC1=CC([N+](=O)[O-])=C(I)C=C1 MC33164 [1,1,0,0,0,0|1,0,1]=4 797 B12R1.453 COC1=CC([N+](=O)[O-])=C(N)C=C1 CS16388 [1,1,0,0,0,0|1,0,1]=4 798 B12R1.453 COC1=CC([N+](=O)[O-])=C(O)C=C1 MC33055 [1,1,0,0,0,0|1,0,1]=4 799 B12R1.453 COC1=NC=C(Cl)C(C(=O)O)=C1 CS17582 [1,1,0,0,0,0|1,0,0]=3 800 B12R1.453 COC1=NC=C(F)C(C(=O)O)=C1 MC110904 [1,1,0,0,0,0|1,0,0]=3 801 B12R1.453 N#CC1=CC(C(=O)O)=C(Br)C=C1 MC433593 [1,1,0,0,0,0|2,0,0]=4 802 B12R1.453 N#CC1=CC(C(=O)O)=C(F)C=C1 MC20242 [1,1,0,0,0,0|2,0,0]=4 803 B12R1.453 N#CC1=CC(C(=O)O)=C(I)C=C1 MC442486 [1,1,0,0,0,0|2,0,0]=4 804 B12R1.453 O=CC1=CC(C(=O)O)=C(F)C=C1 MC40281 [1,1,0,0,0,0|2,0,0]=4 805 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 MC106594 [1,1,0,0,0,0|1,0,1]=4 806 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 MC40649 [1,1,0,0,0,0|1,0,1]=4 807 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 MC10449 [1,1,0,0,0,0|0,0,0]=2 808 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 CS21945 [1,1,0,0,0,0|1,0,1]=4 809 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 MC10289 [1,1,0,0,0,0|1,0,1]=4 810 B12R1.78 COC1=C(OC)C=C(CO)C=C1 CS19420 [1,1,0,0,0,0|0,0,1]=3 811 B12R1.78 COC1=C(OC)C=C(NN)C=C1 MC40996 [1,1,0,0,0,0|2,0,0]=4 812 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 MC431779 [1,1,0,0,0,0|1,0,0]=3 813 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS21200 [1,1,0,0,0,0|2,0,0]=4 814 B12R1.78 COC1=CC(OC)=C(OC)C=C1 CS18710 [1,1,0,0,0,0|2,0,0]=4 815 B12R1.270 C=CC1=CC(OCC)=C(Cl)C=C1 MC112465 [1,1,0,0,0,0|2,0,0]=4 816 B12R1.270 CCOC1=C(C)C=CC(C=O)=N1 MC430647 [1,1,0,0,0,0|2,0,0]=4 817 B12R1.270 CCOC1=C(Cl)C=CC(C=O)=C1 MC112464 [1,1,0,0,0,0|1,0,0]=3 818 B12R1.270 CCOC1=C(O)C=CC(C=O)=C1 MC41114 [1,1,0,0,0,0|0,0,0]=2 819 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC437967 [1,1,0,0,0,0|1,0,1]=4 820 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC443853 [1,1,0,0,0,0|1,0,1]=4 821 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 MC105253 [1,1,0,0,0,0|1,0,1]=4 822 B12R1.300 COC1=CC(C=O)=CC(F)=C1O CS20848 [1,1,0,0,0,0|0,0,0]=2 823 B12R1.449 COC1=CC(C=O)=C(F)C=C1Cl MC106574 [1,1,0,0,0,0|1,0,0]=3 824 B12R1.63 COC(=O)C1=CC(OC)=C(Br)S1 CS18110 [0,1,0,0,1,0|2,0,0]=4 825 B14R1.705 O=C(O)CC1=CC([N+](=O)[O-])=C(O)C=C1 MC40179 [0,1,0,0,0,1|2,0,0]=4 826 B14R1.3405 COC(=O)CC1=CC(C=O)=C(O)C=C1 CS22871 [0,1,0,0,0,1|2,0,0]=4 827 B14R1.3405 COC(=O)CC1=CC(OC)=C(Br)C=C1 MC430369 [0,1,0,0,0,1|1,0,0]=3 828 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 CS16307 [0,1,0,0,0,1|0,0,0]=2 829 B14R1.12 CC(C)(C)C1=C(O)C=CC(C(=O)O)=C1 MC442248 [0,2,0,0,0,0|1,0,0]=3 830 B14R1.12 O=C(O)C1=CC(C(F)(F)F)=C(O)C=C1 CS20658 [0,2,0,0,0,0|2,0,0]=4 831 B14R1.31 COC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 CS16228 [0,2,0,0,0,0|2,0,0]=4 832 B14R1.706 COC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 CS11661 [0,2,0,0,0,0|1,0,1]=4 833 B14R1.748 COC(=O)C1=CC([N+](=O)[O-])=C(O)C=C1 MC30285 [0,2,0,0,0,0|2,0,0]=4 834 B14R1.6035 CC(C)C1=CC(C(=O)O)=C(O)C=C1O MC107637 [0,2,0,0,0,0|1,0,0]=3 835 B14R1.6035 CC1=C(C(=O)O)C=C([N+](=O)[O-])C(O)=C1 MC40290 [0,2,0,0,0,0|2,0,0]=4 836 B14R1.6035 O=C(O)C1=C(O)C=C(O)C([N+](=O)[O-])=C1 CS16454 [0,2,0,0,0,0|2,0,0]=4 837 B14R1.358 COC(=O)C1=CC(Br)=C(O)C(C#N)=C1 MC108296 [0,2,0,0,0,0|2,0,0]=4 838 B14R1.626 CCOC(=O)C1=CC(OC)=C(N)C=C1 MC40026 [0,2,0,0,0,0|1,0,0]=3 839 B14R1.1864 COC(=O)C1=CC(OC)=C(C=O)C=C1 MC433695 [0,2,0,0,0,0|0,0,1]=3 840 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 MC428329 [0,2,0,0,0,0|0,0,0]=2 841 B14R1.1864 COC(=O)C1=NC(OC)=C(CBr)C=C1 MC428159 [0,2,0,0,0,0|2,0,0]=4 842 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 CS21946 [0,2,0,0,0,0|0,0,1]=3 843 B14R1.1864 COC1=C(OC)C=C(C(C)NO)C=C1 MC107665 [0,2,0,0,0,0|1,0,1]=4 844 B14R1.2283 COC(=O)C1=C(Br)C=C(O)C(C#N)=C1 MC108291 [0,2,0,0,0,0|2,0,0]=4 845 B14R1.3654 COC1=C(OC)C=C(S(=O)(=O)Cl)C=C1 CS20985 [0,2,0,0,0,0|1,0,1]=4 846 B14R1.350 COC1=CC([N+](=O)[O-])=CC(O)=C1OC MC115265 [0,2,0,0,0,0|1,0,1]=4 847 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1N MC40228 [0,2,0,0,0,0|1,0,0]=3 848 B14R1.362 COC1=CC(C(C)=O)=CC(OC)=C1O MC103320 [0,2,0,0,0,0|1,0,0]=3 849 B14R1.569 COC1=CC(C(=O)O)=C(F)C(F)=C1C MC102561 [0,2,0,0,0,0|1,0,0]=3 850 B14R1.569 COC1=CC(C(=O)O)=C(F)C(F)=C1F MC20514 [0,2,0,0,0,0|1,0,0]=3 851 B14R1.569 COC1=CC(C(C)=O)=C(F)C(F)=C1C MC102564 [0,2,0,0,0,0|2,0,0]=4 852 B14R1.12249 COC1=C(F)C(F)=CC(C(=O)Cl)=C1F MC433708 [0,2,0,0,0,0|2,0,0]=4 853 B14R1.12249 COC1=C(F)C(F)=CC(C(=O)O)=C1F MC20090 [0,2,0,0,0,0|1,0,0]=3 854 B14R1.676 CC(C)OC1=C(N)C=CC(C(N)=O)=C1 MC110595 [0,2,0,0,0,0|2,0,0]=4 855 B14R1.676 O=C(O)C1=CN=C(F)C(OC(F)F)=C1 MC110095 [0,2,0,0,0,0|2,0,0]=4 856 B14R1.676 O=C(O)C1=NC=C(F)C(OC(F)F)=C1 MC110104 [0,2,0,0,0,0|2,0,0]=4 857 B14R1.1851 COC1=CC(Br)=C(C(=O)O)C=C1OC MC40238 [0,2,0,0,0,0|0,0,0]=2 858 B14R1.1851 COC1=CC(I)=C(C(=O)O)C=C1OC MC428248 [0,2,0,0,0,0|0,0,0]=2 859 B14R1.1851 COC1=CC(N)=C(C(=O)O)C=C1OC CS21189 [0,2,0,0,0,0|0,0,0]=2 860 B14R1.1851 COC1=CC(O)=C(C(=O)O)C=C1OC MC114391 [0,2,0,0,0,0|0,0,0]=2 861 B14R1.1851 COC1=CC(O)=C(C(C)=O)C=C1OC MC429955 [0,2,0,0,0,0|1,0,0]=3 862 B14R1.1851 COc1cc(N)c(C(C)=O)cc1OC MC433204 [0,2,0,0,0,0|1,0,0]=3 863 B14R1.43 COC1=C(C(=O)O)C=CC(B(O)O)=C1 MC441516 [0,2,0,0,0,0|1,0,1]=4 864 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(=O)O)=C1 CS10832 [0,2,0,0,0,0|0,0,1]=3 865 B14R1.2023 COC1=C(OC)C(Cl)=C(C(=O)O)C=C1 MC40251 [0,2,0,0,0,0|0,0,0]=2 866 B14R1.2023 COC1=C(OC)C(N)=C(C(=O)O)C=C1 MC442443 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 MC40299 [0,0,1,1,0,0|1,0,1]=4 868 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 CS15841 [1,0,0,1,0,0|1,0,1]=4 869 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CS21474 [1,0,0,1,0,0|1,0,1]=4 870 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 CS16843 [1,0,0,1,0,0|1,0,1]=4 871 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CS21622 [1,0,0,1,0,0|1,0,0]=3 872 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 MC441152 [1,0,0,1,0,0|1,0,1]=4 873 B12R2.44 OCC1=CC2=C(C=C1)CCO2 MC442824 [1,0,0,1,0,0|1,0,1]=4 874 B12R2.44 OCC1=CC2=C(C=C1)OCO2 MC40722 [1,0,0,1,0,0|0,0,1]=3 875 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 MC40183 [0,0,0,1,0,1|0,0,0]=2 876 B14R2.24358 CC1=NNC2=CC=C(C(=O)O)C=C21 MC441184 [0,1,0,1,0,0|2,0,0]=4 877 B14R2.24358 CN1C=CC2=CC=C(C(=O)O)C=C21 CS20750 [0,1,0,1,0,0|2,0,0]=4 878 B14R2.24358 CN1C=NC2=C1C=C(C(=O)O)C=C2 CS20703 [0,1,0,1,0,0|2,0,0]=4 879 B14R2.24358 CN1N=CC2=CC=C(C(=O)O)C=C21 MC444128 [0,1,0,1,0,0|2,0,0]=4 880 B14R2.24358 O=C(O)C1=CC=C2CCC(=O)C2=C1 CS20736 [0,1,0,1,0,0|2,0,0]=4 881 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 MC41285 [0,1,0,1,0,0|1,0,0]=3 882 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 CS16726 [0,1,0,1,0,0|1,0,1]=4 883 B14R2.966 COC(=O)C1=CC=C2NCCC2=C1 CS11673 [0,1,0,1,0,0|2,0,0]=4 884 B14R2.966 NNC(=O)C1=CC2=C(C=C1)OCO2 MC41006 [0,1,0,1,0,0|1,0,0]=3 885 B14R2.966 O=C(CCl)C1=CC2=C(C=C1)OCC2 MC10219 [0,1,0,1,0,0|2,0,0]=4 886 B14R2.2167 COC1=C(Cl)C=C2CCC(=O)C2=C1 MC446741 [0,1,0,1,0,0|2,0,0]=4 887 B14R2.2167 COC1=C(F)C=C2CCC(=O)C2=C1 MC115840 [0,1,0,1,0,0|2,0,0]=4 888 B14R2.8824 O=C(O)C1=CC2=C(OCO2)C(O)=C1 MC431230 [0,1,0,1,0,0|0,0,0]=2 889 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)O1 CS21686 [0,1,0,1,0,0|1,0,0]=3 890 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)O1 CS15881 [0,1,0,1,0,0|1,0,0]=3 891 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 CS13702 [0,1,0,1,0,0|1,1,0]=4 892 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 MC429085 [0,1,0,1,0,0|1,0,0]=3 893 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 MC103664 [0,1,0,1,0,0|1,0,0]=3 894 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCN2 MC113311 [0,1,0,1,0,0|1,0,0]=3 895 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 CS18312 [0,1,0,1,0,0|0,0,0]=2 896 B14R2.781 O=C(O)C1=CC=C2CCNCC2=C1 MC431490 [0,1,0,1,0,0|2,0,0]=4 897 B14R2.781 OB(O)C1=CC2=C(C=C1)OCCO2 CS20975 [0,1,0,1,0,0|1,0,1]=4 898 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [1,0,0,0,1,0|2,0,0]=4 899 B10R1.194 CC1=C(C(=O)O)SC=C1Br MC21121 [1,0,0,0,1,0|2,0,0]=4 900 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [1,0,0,0,1,0|2,0,0]=4 901 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [1,0,0,0,1,0|2,0,0]=4 902 B10R1.39 COC1=CSC=C1C(=O)O CS19448 [1,0,0,0,1,0|1,0,0]=3 903 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 MC40182 [1,0,0,0,0,1|0,0,0]=2 904 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 MC432368 [1,0,0,0,0,1|1,0,0]=3 905 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [1,0,0,0,0,1|1,0,0]=3 906 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 CS22261 [1,0,0,0,0,1|2,0,0]=4 907 B12R1.438 O=C(O)CC1=CC(CBr)=CC=C1 CS15773 [1,0,0,0,0,1|2,0,0]=4 908 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 MC442713 [1,0,0,0,0,1|2,0,0]=4 909 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 CS22649 [0,0,0,0,1,1|1,0,0]=3 910 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 MC431231 [0,0,0,0,1,1|1,0,0]=3 911 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 MC40301 [0,0,0,0,1,1|1,0,0]=3 912 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 CS10785 [0,0,0,0,1,1|1,0,0]=3 913 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 MC441307 [0,0,0,0,1,1|1,0,0]=3 914 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 CS14268 [0,0,0,0,1,1|1,0,0]=3 915 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 MC441122 [0,0,0,0,1,1|1,0,0]=3 916 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 MC442318 [0,0,0,0,1,1|0,0,0]=2 917 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 CS16731 [0,0,0,0,1,1|2,0,0]=4 918 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 MC31158 [0,0,0,0,1,1|2,0,0]=4 919 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 CS12660 [0,0,0,0,1,1|1,0,1]=4 920 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O CS10679 [0,0,0,0,1,1|2,0,0]=4 921 B12R1.87 COC1=C(C(=O)O)C=CC=C1Cl CS22208 [0,0,0,0,1,1|1,0,0]=3 922 B12R1.87 COC1=C(C(=O)O)C=CC=C1F MC30253 [0,0,0,0,1,1|1,0,0]=3 923 B12R1.87 COC1=C(C(=O)O)C=CC=C1N MC442094 [0,0,0,0,1,1|1,0,0]=3 924 B12R1.87 COC1=C(C(C)=O)C=CC=C1Br MC442667 [0,0,0,0,1,1|2,0,0]=4 925 B12R1.87 COC1=C(C(C)=O)C=CC=C1O MC443238 [0,0,0,0,1,1|1,0,0]=3 926 B12R1.87 COC1=C(F)C=CN=C1C(=O)O MC431069 [0,0,0,0,1,1|1,0,0]=3 927 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 MC106644 [0,0,0,0,0,2|1,0,1]=4 928 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS11068 [0,0,0,0,0,2|0,0,0]=2 929 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS14897 [0,0,0,0,0,2|0,0,0]=2 930 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 MC41849 [0,0,0,0,0,2|1,0,0]=3