0 B8R1.1 Br[Mg]c1ccc(Br)s1 MC116055 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.1 C#CC1=CC=C(Cl)S1 MC114858 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,0,0,0,0,0|0,1,0]=1 6 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [0,0,0,0,0,0|1,1,0]=2 7 B8R1.1 CC1=CNC(C#N)=N1 CS17142 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.1 CC1=CSC(C#N)=N1 MC425479 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.1 CC1=NC(C#N)=CS1 MC106832 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CC1=NC(CN)=CN1 MC107345 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 CC1=NC(CO)=CS1 MC430697 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [0,0,0,0,0,0|1,1,0]=2 18 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.1 CN1C=CC(C#N)=N1 CS20751 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [0,0,0,0,0,0|2,1,1]=4 23 B8R1.1 N#CC1=CC=C(Br)O1 MC432195 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.1 N#CC1=CC=C(Br)S1 CS10307 [0,0,0,0,0,0|2,1,1]=4 25 B8R1.1 N#CC1=CC=C(N)S1 CS17201 [0,0,0,0,0,0|2,1,1]=4 26 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [0,0,0,0,0,0|2,1,0]=3 27 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.1 NCc1ccc(F)s1 MC102141 [0,0,0,0,0,0|2,1,1]=4 29 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,0,0,0,0,0|1,0,3]=4 30 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [0,0,0,0,0,0|1,1,0]=2 37 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [0,0,0,0,0,0|1,0,0]=1 38 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.1 O=CC1=CSC(Br)=N1 CS15326 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.1 O=CC1=NC(Br)=CS1 CS13190 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.1 O=CC1=NC=C(Br)S1 MC431683 [0,0,0,0,0,0|2,1,0]=3 42 B8R1.1 O=CC1=NC=C(Cl)S1 MC425505 [0,0,0,0,0,0|2,1,0]=3 43 B8R1.1 O=CC1=NC=C(I)S1 MC431752 [0,0,0,0,0,0|2,1,0]=3 44 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,0,0,0,0,0|1,0,2]=3 45 B8R1.1 OCC1=CC=C(F)S1 MC113611 [0,0,0,0,0,0|1,1,2]=4 46 B7R1.1 BrCC1=CC=CS1 MC111260 [1,0,0,0,0,0|1,1,1]=4 47 B7R1.1 BrCC1=CC=NO1 MC114075 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 BrCC1=NC=CO1 MC106296 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 Br[Zn]c1cccs1 MC121347 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 ClCC1=CC=CO1 CS13429 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.1 ClCC1=CN=CO1 MC105780 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.1 ClCC1=CN=CO1 MC114644 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.1 N#CC1=CC=CS1 CS22701 [1,0,0,0,0,0|1,1,1]=4 55 B7R1.1 N#CC1=CC=NO1 CS17495 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 NCC1=CC=CN1 CS14874 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 NCC1=CC=CO1 MC41689 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.1 NCC1=CC=CS1 CS22783 [1,0,0,0,0,0|1,1,1]=4 59 B7R1.1 NCC1=CN=CO1 CS17502 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 NCC1=CN=CO1 CS18508 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 NCC1=CN=CO1 MC104477 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 O=CC1=CC=CN1 CS17764 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.1 O=CC1=CC=CN1 MC434011 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.1 O=CC1=CC=CO1 MC41686 [1,0,0,0,0,0|0,0,0]=1 65 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,0,0,0|0,1,0]=2 66 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.1 O=CC1=CN=CO1 MC100355 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.1 O=CC1=CN=CS1 CS15582 [1,0,0,0,0,0|1,1,0]=3 69 B7R1.1 O=CC1=CNC=C1 CS20728 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.1 O=CC1=CNC=N1 CS14113 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 O=CC1=CNN=C1 CS17644 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 O=CC1=CNN=C1 CS18258 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 O=CC1=CNN=N1 MC114304 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 O=CC1=CSC=C1 CS14553 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.1 O=CC1=CSC=N1 MC33021 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 O=CC1=NC=CN1 CS15723 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.1 O=CC1=NNC=C1 CS18284 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 OCC1=CC=CO1 MC41687 [1,0,0,0,0,0|0,0,2]=3 79 B7R1.1 OCC1=CC=NO1 CS15343 [1,0,0,0,0,0|1,0,2]=4 80 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,0,0,0|1,0,2]=4 82 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.2 CC1=CC(=O)NN1 CS22601 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,0,0,0,0,0|1,1,0]=3 86 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,0,0,0,0,0|1,0,1]=3 87 B7R1.2 CC1=CN=C(Br)S1 CS12301 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.2 CC1=CN=C(C)S1 CS22782 [1,0,0,0,0,0|1,1,1]=4 89 B7R1.2 CC1=CN=C(N)S1 CS21821 [1,0,0,0,0,0|2,1,0]=4 90 B7R1.2 CC1=CNC(Br)=N1 MC111806 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.2 CC1=CNC(C)=N1 CS21117 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.2 CC1=COC(Br)=N1 MC113513 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.2 CC1=CSC(Br)=N1 CS18300 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.2 CC1=CSC(C)=N1 CS22781 [1,0,0,0,0,0|2,0,1]=4 95 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.2 CC1=NC(I)=CS1 MC432141 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.2 CC1=NC=C(I)N1 CS19295 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.2 CC1=NC=C(I)S1 MC441133 [1,0,0,0,0,0|2,1,0]=4 100 B7R1.2 CC1=NC=C(N)N1 MC445566 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.2 CC1=NC=C(N)S1 CS15937 [1,0,0,0,0,0|2,1,0]=4 102 B7R1.2 CC1=NN(C)C=C1 CS20520 [1,0,0,0,0,0|2,0,1]=4 103 B7R1.2 CC1=NN=C(C)O1 CS15161 [1,0,0,0,0,0|2,0,1]=4 104 B7R1.2 CC1=NNC(=O)C1 CS16242 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.2 CC1=NNC(=O)S1 MC107311 [1,0,0,0,0,0|2,1,0]=4 107 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,0,0,0|1,0,2]=4 109 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,0,0,0,0,0|2,0,0]=3 110 B7R1.2 CN1C=CC(Br)=N1 CS20720 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.2 CN1C=CC(I)=N1 MC442844 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.2 CN1C=CC(N)=C1 CS17699 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.2 CN1C=CC(N)=N1 CS13878 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.2 ClC1=CC=C(I)S1 MC114731 [1,0,0,0,0,0|2,1,0]=4 115 B9R1.7 CC1=CC=C(N=C=O)O1 MC106103 [0,1,0,0,0,0|0,0,1]=2 116 B9R1.7 CC1=NC(\C=N\O)=CN1 MC107346 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.7 O=CCC1=NC=C(Br)S1 MC104142 [0,1,0,0,0,0|2,1,0]=4 118 B9R1.21 CCC1=CC(C=O)=NO1 MC105910 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.21 CCC1=NC=C(C=O)S1 CS15904 [0,1,0,0,0,0|1,1,0]=3 120 B9R1.21 COC1=NC=C(C=O)S1 MC443812 [0,1,0,0,0,0|1,1,0]=3 121 B9R1.21 N#CC1=CC=C(C=O)S1 CS10362 [0,1,0,0,0,0|0,1,1]=3 122 B9R1.21 N#CC1=CC=C(CBr)S1 CS10149 [0,1,0,0,0,0|1,1,1]=4 123 B9R1.21 O=CC1=CC=C(C=O)O1 MC20959 [0,1,0,0,0,0|0,0,1]=2 124 B9R1.21 O=CC1=CC=C(C=O)S1 MC445785 [0,1,0,0,0,0|0,1,1]=3 125 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [0,1,0,0,0,0|0,0,0]=1 127 B9R1.21 O=CC1=CSC(C=O)=C1 CS17580 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.21 OCC1=CC=C(CO)O1 CS10151 [0,1,0,0,0,0|0,0,2]=3 129 B9R1.22 CC1=CC(C)=C(C=O)N1 CS10535 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.22 CC1=NC(C)=C(C=O)N1 MC427470 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.22 CC1=NN(C)C(C=O)=C1 MC21034 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.22 CC1=NN(C)C=C1C=O CS13371 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.22 CN1C=C(Br)N=C1C=O MC111411 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.22 NC1=NC(Cl)=C(C=O)S1 CS18473 [0,1,0,0,0,0|2,1,0]=4 135 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 CS16290 [0,1,0,0,0,0|2,1,0]=4 136 B9R1.22 O=CC1=C(Cl)NC(=O)S1 MC30313 [0,1,0,0,0,0|2,1,0]=4 137 B9R1.23 CC1=C(C)NC(C=O)=N1 MC427115 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,0,0|0,1,0]=2 144 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,1,0,0,0,0|1,1,0]=3 145 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,1,0,0,0,0|2,1,0]=4 146 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,0,0,0|0,0,0]=1 155 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,0,0,0|0,1,0]=2 156 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.35 CC1=NC(C(=O)[O-])=NO1 MC114548 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,1,0,0,0,0|1,0,0]=2 161 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,1,0,0,0,0|1,1,0]=3 162 B9R1.35 CC1=NN=C(C(=O)[O-])O1 CS10429 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.35 CC1=NN=C(C(=O)[O-])S1 CS18089 [0,1,0,0,0,0|2,1,0]=4 164 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 CC1=NOC(C(=O)[O-])=N1 MC114547 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [0,1,0,0,0,0|2,1,0]=4 177 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,1,0,0,0,0|2,1,0]=4 179 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,1,0,0,0,0|2,1,0]=4 180 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,1,0,0,0,0|2,1,0]=4 183 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,1,0,0,0,0|1,1,0]=3 185 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,0,0,0|1,0,0]=2 190 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,1,0,0,0,0|1,1,0]=3 191 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,1,0,0,0,0|1,1,0]=3 193 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,1,0,0,0,0|2,1,0]=4 202 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,1,0,0,0,0|2,1,0]=4 203 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.132 CC1=NSC(C=O)=C1Br MC106268 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.132 O=CC1=C(Br)C(Br)=CS1 MC441135 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,0,1,0,0,0|2,0,1]=4 207 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [0,0,0,0,0,1|2,0,1]=4 208 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.1 C=CC1=CN=C(Br)C=C1 MC442257 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.1 C=CC1=NC=C(Br)C=C1 MC431908 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [0,0,0,0,0,1|2,0,1]=4 213 B9R1.1 CC1=CC=C(C#N)N=N1 MC444265 [0,0,0,0,0,1|2,0,1]=4 214 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [0,0,0,0,0,1|1,0,0]=2 215 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [0,0,0,0,0,1|2,0,1]=4 216 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [0,0,0,0,0,1|2,0,1]=4 217 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [0,0,0,0,0,1|2,0,1]=4 218 B9R1.1 CC1=CC=C(CN)N=N1 MC100078 [0,0,0,0,0,1|2,0,1]=4 219 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [0,0,0,0,0,1|1,0,2]=4 220 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [0,0,0,0,0,1|1,0,2]=4 221 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 CC1=CC=C(NN)N=N1 CS22373 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.1 CC1=CN=C(C#N)C=C1 CS13787 [0,0,0,0,0,1|2,0,1]=4 224 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [0,0,0,0,0,1|1,0,0]=2 225 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [0,0,0,0,0,1|2,0,0]=3 226 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [0,0,0,0,0,1|2,0,0]=3 227 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [0,0,0,0,0,1|2,0,1]=4 228 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [0,0,0,0,0,1|2,0,1]=4 229 B9R1.1 CC1=NC=C(C#N)C=C1 CS14144 [0,0,0,0,0,1|2,0,1]=4 230 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [0,0,0,0,0,1|1,0,0]=2 231 B9R1.1 CC1=NC=C(C=O)C=N1 MC444194 [0,0,0,0,0,1|2,0,0]=3 232 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [0,0,0,0,0,1|2,0,1]=4 233 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [0,0,0,0,0,1|2,0,0]=3 235 B9R1.1 NC1=NC=C(C=O)C=N1 CS16976 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.1 NC1=NC=C(C=O)C=N1 CS19828 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [0,0,0,0,0,1|2,0,0]=3 238 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.1 O=CC1=CC=C(Cl)N=N1 MC444424 [0,0,0,0,0,1|2,0,0]=3 240 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [0,0,0,0,0,1|2,0,0]=3 241 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [0,0,0,0,0,1|2,0,0]=3 242 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [0,0,0,0,0,1|2,0,0]=3 243 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [0,0,0,0,0,1|2,0,0]=3 244 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.1 O=CC1=CN=C(Cl)N=C1 CS12216 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [0,0,0,0,0,1|2,0,0]=3 249 B9R1.1 O=CC1=NC=C(Br)C=N1 MC113781 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.1 O=CC1=NC=C(Cl)C=N1 MC104699 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [0,0,0,0,0,1|2,0,0]=3 253 B9R1.1 O=CC1=NC=C(F)C=N1 MC103702 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.2 C#CC1=CC(C)=NC=C1 MC103098 [0,0,0,0,0,1|2,0,1]=4 256 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [0,0,0,0,0,1|2,0,1]=4 257 B9R1.2 C=NC1=CC(C)=CC=C1 MC111025 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.2 CC1=CC(C#N)=NC=C1 CS20235 [0,0,0,0,0,1|2,0,1]=4 259 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [0,0,0,0,0,1|1,0,0]=2 260 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,0,0,0,0,1|1,0,0]=2 261 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [0,0,0,0,0,1|2,0,1]=4 262 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [0,0,0,0,0,1|2,0,1]=4 263 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,0,0,0,0,1|1,0,2]=4 264 B9R1.2 CC1=CC(NN)=CC=C1 CS19574 [0,0,0,0,0,1|3,0,0]=4 265 B9R1.2 CC1=CC(NN)=NC=C1 CS13399 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.2 CC1=CC=CC(C#N)=C1 CS19778 [0,0,0,0,0,1|2,0,1]=4 267 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [0,0,0,0,0,1|2,0,1]=4 268 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [0,0,0,0,0,1|1,0,0]=2 269 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [0,0,0,0,0,1|1,0,0]=2 270 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,0,0,0,0,1|2,0,1]=4 271 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [0,0,0,0,0,1|2,0,1]=4 272 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [0,0,0,0,0,1|2,0,1]=4 273 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,0,0,0,0,1|2,0,1]=4 274 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,0,0,0,0,1|1,0,2]=4 275 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.2 CC1=CN=CC(C#N)=N1 CS17295 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.2 CC1=CN=CC(CCl)=C1 CS14445 [0,0,0,0,0,1|2,0,1]=4 278 B9R1.2 CC1=CN=CC(CCl)=N1 CS17402 [0,0,0,0,0,1|2,0,1]=4 279 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [0,0,0,0,0,1|1,0,2]=4 280 B9R1.2 CC1=NC(C#N)=NC=C1 MC425508 [0,0,0,0,0,1|2,0,1]=4 281 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [0,0,0,0,0,1|1,0,0]=2 282 B9R1.2 CC1=NC(CCl)=NC=C1 MC113392 [0,0,0,0,0,1|2,0,1]=4 283 B9R1.2 CC1=NC(CN)=NC=C1 MC431122 [0,0,0,0,0,1|2,0,1]=4 284 B9R1.2 CC1=NC(CO)=NC=C1 MC444189 [0,0,0,0,0,1|1,0,2]=4 285 B9R1.2 CC1=NC=CC(C#N)=C1 MC21144 [0,0,0,0,0,1|2,0,1]=4 286 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,0,0,0,0,1|1,0,0]=2 287 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [0,0,0,0,0,1|1,0,0]=2 288 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [0,0,0,0,0,1|2,0,1]=4 289 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,0,0,0,0,1|2,0,1]=4 290 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.2 Cc1cc(C#N)ccn1 MC115556 [0,0,0,0,0,1|2,0,1]=4 294 B9R1.2 NC1=CC=CC(C=O)=N1 MC110929 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.2 NC1=NC=CC(C=O)=C1 CS18505 [0,0,0,0,0,1|2,0,0]=3 296 B9R1.2 NC1=NC=CC(C=O)=C1 MC103369 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [0,0,0,0,0,1|2,0,0]=3 298 B9R1.2 O=CC1=CC(Br)=NC=C1 CS18783 [0,0,0,0,0,1|2,0,0]=3 299 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.2 O=CC1=CC(F)=NC=C1 MC431324 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [0,0,0,0,0,1|2,0,0]=3 304 B9R1.2 O=CC1=CC=C[N+]([O-])=C1 CS17137 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.2 O=CC1=CN=CC(Br)=C1 MC20791 [0,0,0,0,0,1|2,0,0]=3 306 B9R1.2 O=CC1=CN=CC(F)=C1 CS19040 [0,0,0,0,0,1|2,0,0]=3 307 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [0,0,0,0,0,1|2,0,0]=3 308 B9R1.2 O=CC1=NC(Br)=CC=C1 CS22094 [0,0,0,0,0,1|2,0,0]=3 309 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS19944 [0,0,0,0,0,1|2,0,0]=3 310 B9R1.2 O=CC1=NC(Cl)=CN=C1 MC103056 [0,0,0,0,0,1|2,0,0]=3 311 B9R1.2 O=CC1=NC(Cl)=NC=C1 MC104746 [0,0,0,0,0,1|2,0,0]=3 312 B9R1.2 O=CC1=NC(F)=CC=C1 CS13928 [0,0,0,0,0,1|2,0,0]=3 313 B9R1.2 O=CC1=NC=CC(Br)=C1 CS12092 [0,0,0,0,0,1|2,0,0]=3 314 B9R1.2 O=CC1=NC=CC(Cl)=C1 CS22794 [0,0,0,0,0,1|2,0,0]=3 315 B9R1.2 O=CC1=NC=NC(Cl)=C1 MC430292 [0,0,0,0,0,1|3,0,0]=4 316 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,1,0,0,0|0,0,1]=3 317 B6R0.4 CN(C)\C=C\C=O MC42238 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,1,0,0,0|2,0,0]=4 319 B6R1.2 BrC1=CC=CS1 CS21414 [2,0,0,0,0,0|1,1,0]=4 320 B6R1.2 BrC1=CC=C[Se]1 MC114898 [2,0,0,0,0,0|1,1,0]=4 321 B6R1.2 BrC1=CN=CO1 MC105695 [2,0,0,0,0,0|2,0,0]=4 322 B6R1.2 BrC1=NC=CO1 MC104314 [2,0,0,0,0,0|2,0,0]=4 323 B6R1.2 CC1=CC=CN1 CS21660 [2,0,0,0,0,0|1,0,0]=3 324 B6R1.2 CC1=CC=CO1 MC41695 [2,0,0,0,0,0|0,0,0]=2 325 B6R1.2 CC1=CC=CS1 CS21701 [2,0,0,0,0,0|0,1,0]=3 326 B6R1.2 CC1=CC=NN1 MC21108 [2,0,0,0,0,0|2,0,0]=4 327 B6R1.2 CC1=CN=CS1 CS10460 [2,0,0,0,0,0|1,1,0]=4 328 B6R1.2 CC1=CNC=C1 MC20689 [2,0,0,0,0,0|2,0,0]=4 329 B6R1.2 CC1=CNC=N1 MC20397 [2,0,0,0,0,0|2,0,0]=4 330 B6R1.2 CC1=COC=N1 MC427478 [2,0,0,0,0,0|2,0,0]=4 331 B6R1.2 CC1=CSC=N1 CS15621 [2,0,0,0,0,0|2,0,0]=4 332 B6R1.2 CC1=NC=CO1 CS11827 [2,0,0,0,0,0|1,0,0]=3 333 B6R1.2 CC1=NC=CS1 CS22598 [2,0,0,0,0,0|1,1,0]=4 334 B6R1.2 CC1=NN=CO1 CS12863 [2,0,0,0,0,0|2,0,0]=4 335 B6R1.2 CC1=NNC=C1 CS13720 [2,0,0,0,0,0|2,0,0]=4 336 B6R1.2 CC1=NOC=C1 CS11533 [2,0,0,0,0,0|2,0,0]=4 337 B6R1.2 CN1C=CC=C1 CS20770 [2,0,0,0,0,0|2,0,0]=4 338 B6R1.2 CN1C=CC=N1 CS19419 [2,0,0,0,0,0|2,0,0]=4 339 B6R1.2 ClC1=NC=CO1 MC106420 [2,0,0,0,0,0|2,0,0]=4 340 B6R1.2 IC1=CC=CS1 CS21616 [2,0,0,0,0,0|1,1,0]=4 341 B6R1.2 IC1=NC=CO1 MC103755 [2,0,0,0,0,0|2,0,0]=4 342 B6R1.2 NC1=NC=CO1 CS19070 [2,0,0,0,0,0|2,0,0]=4 343 B6R1.2 O=C1C=CNN1 MC106502 [2,0,0,0,0,0|2,0,0]=4 344 B6R1.2 O=C1C=CON1 MC442265 [2,0,0,0,0,0|2,0,0]=4 345 B6R1.2 O=C1C=CSN1 MC427073 [2,0,0,0,0,0|2,0,0]=4 346 B6R1.2 O=C1NC=CN1 MC20853 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,1,0,0,0,0|0,0,0]=2 348 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,1,0,0,0,0|0,1,0]=3 349 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [1,1,0,0,0,0|1,1,0]=4 355 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,1,0,0,0,0|1,0,1]=4 358 B8R1.7 NC(=O)C1=COC=N1 CS11829 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,1,0,0,0,0|0,0,0]=2 364 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,1,0,0,0,0|0,1,0]=3 365 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [1,1,0,0,0,0|1,1,0]=4 367 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.7 O=C(O)C1=COC=C1 CS14540 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.7 O=C(O)C1=COC=N1 MC441322 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,1,0,0,0,0|1,1,0]=4 376 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.7 OB(O)C1=CC=CO1 CS22587 [1,1,0,0,0,0|1,0,1]=4 381 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,1,0,0,0,0|0,1,0]=3 382 B8R1.11 CN1C=CN=C1C=O CS17882 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.11 CN1N=CC=C1C=O CS18205 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [1,1,0,0,0,0|0,1,0]=3 385 B8R1.11 O=CC1=C(Br)C=CN1 MC104759 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [1,1,0,0,0,0|0,1,0]=3 387 B8R1.11 O=CC1=C(Br)N=CS1 CS15329 [1,1,0,0,0,0|1,1,0]=4 388 B8R1.11 O=CC1=C(Br)SC=C1 MC441008 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.11 O=CC1=C(Cl)C=CN1 MC104757 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.11 O=CC1=C(Cl)N=CS1 CS22797 [1,1,0,0,0,0|1,1,0]=4 391 B8R1.11 O=CC1=C(Cl)SC=C1 MC442673 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [1,1,0,0,0,0|0,1,0]=3 393 B8R1.11 O=CC1=C(I)SC=C1 MC443799 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.11 O=CC1=CSC=C1Br MC441264 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.18 CC1=CC(=O)OC1O CS22773 [1,1,0,0,0,0|1,0,1]=4 397 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [1,1,0,0,0,0|0,1,1]=4 398 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [1,1,0,0,0,0|1,0,0]=3 399 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.1 CC1=NC=C(N=C=O)C=C1 MC106881 [0,1,0,0,0,1|1,0,1]=4 401 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS21472 [0,1,0,0,0,1|1,0,1]=4 404 B10R1.3 C=CC1=NC=C(CC)C=C1 MC111111 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.3 COC1=CC=C(C=O)C=C1 CS18687 [0,1,0,0,0,1|1,0,0]=3 406 B10R1.3 COC1=CN=C(C=O)C=C1 CS10425 [0,1,0,0,0,1|1,0,0]=3 407 B10R1.3 COC1=CN=C(C=O)N=C1 MC103831 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.3 COC1=NC=C(C=O)C=C1 CS20322 [0,1,0,0,0,1|1,0,0]=3 409 B10R1.3 COC1=NC=C(C=O)C=N1 CS16257 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.3 CSC1=NC=C(C=O)C=N1 MC443841 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.3 N#CC1=CC=C(C=O)C=C1 CS13468 [0,1,0,0,0,1|1,0,1]=4 412 B10R1.3 N#CC1=CN=C(C=O)C=C1 CS12973 [0,1,0,0,0,1|1,0,1]=4 413 B10R1.3 N#CC1=NC=C(C=O)C=C1 CS13188 [0,1,0,0,0,1|1,0,1]=4 414 B10R1.3 O=CC1=CC=C(C=O)C=C1 CS11974 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.3 O=CC1=CC=C(CBr)C=C1 MC41097 [0,1,0,0,0,1|1,0,0]=3 416 B10R1.3 O=CC1=CC=C(CO)C=C1 CS15415 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,0,1|1,0,0]=3 420 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,0,0,1|1,0,0]=3 421 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,0,1|1,0,0]=3 430 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,0,1|1,0,0]=3 433 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,1,0,0,0,1|1,0,0]=3 440 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,0,0,1|1,0,0]=3 441 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,1,0,0,0,1|1,0,0]=3 442 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,0,0,1|1,0,0]=3 445 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,0,0,1|1,0,0]=3 446 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,0,0,1|1,0,0]=3 450 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,1,0,0,0,1|1,0,0]=3 452 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 CS19359 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.13 NC(=O)C1=CC=C(N)N=N1 MC444409 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 CS22653 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 MC443390 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 CS20823 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.25 CC1=C(C=O)C=CC(F)=C1 CS10809 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.25 CC1=C(C=O)C=CC(N)=N1 MC430302 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.25 CC1=C(C=O)C=CC(O)=C1 CS20933 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 CS20803 [0,1,0,0,0,1|1,0,0]=3 496 B10R1.25 CC1=CC(Br)=CN=C1C=O MC428377 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.25 CC1=CC(C)=C(C=O)C=C1 CS21114 [0,1,0,0,0,1|1,0,0]=3 498 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 CS21448 [0,1,0,0,0,1|1,0,0]=3 499 B10R1.25 CC1=CC(F)=C(C=O)C=C1 MC41116 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.25 CC1=CC(O)=C(C=O)C=C1 MC33188 [0,1,0,0,0,1|1,0,0]=3 501 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 MC111591 [0,1,0,0,0,1|1,0,0]=3 502 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 CS21241 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 CS17491 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.25 NC1=C(C=O)C=CC(F)=C1 MC30207 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.25 NC1=C(C=O)C=NC(Cl)=C1 MC432605 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.25 NC1=CC(Br)=CN=C1C=O MC103515 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 CS16310 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 CS15142 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 CS10226 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 CS19853 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 CS16052 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.25 O=CC1=C(Br)N=C(Br)C=C1 MC442210 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 CS18762 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 MC33212 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 CS10260 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 CS10340 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 MC432616 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.25 O=CC1=C(Cl)N=C(F)C=C1 MC431503 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 CS10231 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 MC20030 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.25 O=CC1=C(F)C=C(F)C=C1 CS18760 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.25 O=CC1=C(F)C=C(I)C=C1 CS10293 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.25 O=CC1=C(F)C=C(O)C=C1 CS10365 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.25 O=CC1=C(F)N=C(Cl)C=C1 MC429309 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.25 O=CC1=C(F)N=C(F)C=C1 MC431754 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.25 O=CC1=C(I)C=C(O)C=C1 CS16844 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 CS20081 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 CS20105 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.25 O=CC1=C(O)C=C(F)C=C1 CS20130 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.25 O=CC1=C(O)C=C(I)C=C1 MC425567 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.25 O=CC1=C(O)C=C(O)C=C1 CS19428 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl CS19136 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.25 O=CC1=CN=C(Br)C=C1Cl MC33235 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl CS16011 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.25 O=CC1=CN=C(F)C=C1Cl MC429245 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.25 O=CC1=CN=C(F)C=C1F MC429333 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.25 O=CC1=NC=C(Br)C=C1F MC104000 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl CS12974 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.25 O=CC1=NC=C(Cl)C=C1F MC431745 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.25 O=CC1=NC=C(F)C=C1Br MC432007 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.25 O=CC1=NC=C(F)C=C1F MC431534 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 MC41096 [0,1,0,0,0,1|1,0,0]=3 543 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 MC431775 [0,1,0,0,0,1|1,0,0]=3 544 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS22664 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.176 CC1=C(C)C=C(C=O)C=C1 MC33166 [0,1,0,0,0,1|1,0,0]=3 546 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 MC433130 [0,1,0,0,0,1|1,0,0]=3 547 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 MC433419 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.176 CC1=C(F)C=C(C=O)C=C1 MC33065 [0,1,0,0,0,1|1,0,0]=3 549 B10R1.176 CC1=C(F)C=CC(C=O)=C1 MC41117 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.176 CC1=C(F)C=CC(C=O)=N1 CS12797 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.176 CC1=C(O)C=C(C=O)C=C1 MC41122 [0,1,0,0,0,1|1,0,0]=3 552 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.176 CC1=CC(C=O)=CN=C1O MC442266 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.176 CC1=CN=C(C=O)C=C1Br MC102712 [0,1,0,0,0,1|1,0,0]=3 555 B10R1.176 CC1=NC=C(C=O)C=C1F MC431247 [0,1,0,0,0,1|1,0,0]=3 556 B10R1.176 CC1=NC=C(C=O)C=C1O MC430648 [0,1,0,0,0,1|1,0,0]=3 557 B10R1.176 CN1N=CC(C=O)=CC1=O MC111762 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.176 Cn1ccc(C=O)cc1=O MC103763 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.176 NC1=NC=C(C=O)C=C1Br MC432272 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 MC430425 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 CS12700 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 CS10229 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 MC20184 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 CS12259 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 CS19889 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 MC20026 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 CS10232 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 CS10264 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.176 O=CC1=CC(F)=C(F)C=C1 CS14168 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.176 O=CC1=CC(F)=C(I)C=C1 CS10296 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS10367 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 MC431061 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 MC441220 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.176 O=CC1=CC(I)=C(F)C=C1 MC20286 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.176 O=CC1=CC(I)=C(I)C=C1 MC431060 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.176 O=CC1=CC(I)=C(O)C=C1 MC429971 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 MC41092 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 CS15259 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.176 O=CC1=CC(O)=C(F)C=C1 MC41115 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 CS18127 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 MC33386 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.176 O=CC1=CNC(=O)C(Br)=C1 MC430621 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.176 O=CC1=CNC(=O)C(Cl)=C1 MC430658 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.2 CC1=C(Br)C=CN=C1C=O MC442513 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.2 CC1=C(C=O)C=CC=C1Cl MC433418 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.2 CC1=C(C=O)C=CC=C1F CS10806 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.2 CC1=C(C=O)C=CC=C1O CS15258 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.2 CC1=C(C=O)C=CN=C1Cl MC430495 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.2 CC1=C(Cl)C(C=O)=NC=C1 MC431729 [0,1,0,0,0,1|1,0,0]=3 591 B10R1.2 CC1=C(Cl)C=CN=C1C=O MC442568 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.2 CC1=C(F)C=CN=C1C=O MC431962 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.2 CC1=CC=CC(C=O)=C1C CS10889 [0,1,0,0,0,1|1,0,0]=3 594 B10R1.2 CC1=CC=CC(C=O)=C1Cl MC33173 [0,1,0,0,0,1|1,0,0]=3 595 B10R1.2 CC1=CC=CC(C=O)=C1F MC20031 [0,1,0,0,0,1|1,0,0]=3 596 B10R1.2 CC1=CC=CC(C=O)=C1O CS20930 [0,1,0,0,0,1|1,0,0]=3 597 B10R1.2 NC1=C(C=O)C=CC=C1Br CS16139 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.2 NC1=C(C=O)C=CC=C1F CS17444 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.2 NC1=C(C=O)C=CN=C1Cl MC431952 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.2 O=CC1=C(Br)C(Br)=CC=C1 MC10119 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.2 O=CC1=C(Br)C(Cl)=CC=C1 CS13248 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.2 O=CC1=C(Br)C(F)=CC=C1 CS21338 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.2 O=CC1=C(Br)C(O)=CC=C1 CS13249 [0,1,0,0,0,1|2,0,0]=4 604 B10R1.2 O=CC1=C(Cl)C(Br)=CC=C1 CS17694 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.2 O=CC1=C(Cl)C(Cl)=CC=C1 CS13389 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.2 O=CC1=C(Cl)C(F)=CC=C1 CS10258 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.2 O=CC1=C(F)C(Br)=CC=C1 CS14896 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.2 O=CC1=C(F)C(Br)=NC=C1 MC429376 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.2 O=CC1=C(F)C(Cl)=CC=C1 CS10263 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.2 O=CC1=C(F)C(Cl)=NC=C1 CS14152 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.2 O=CC1=C(F)C(F)=CC=C1 CS10281 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.2 O=CC1=C(F)C(O)=CC=C1 MC441017 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.2 O=CC1=C(I)C(F)=CC=C1 MC21112 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.2 O=CC1=C(O)C(Br)=CC=C1 CS20079 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.2 O=CC1=C(O)C(Cl)=CC=C1 MC20676 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.2 O=CC1=C(O)C(Cl)=NC=C1 MC442720 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.2 O=CC1=C(O)C(F)=CC=C1 CS20128 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.2 O=CC1=C(O)C(I)=CC=C1 MC442738 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.2 O=CC1=C(O)C(O)=CC=C1 CS21044 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.2 O=CC1=CN=CC(Br)=C1Cl MC429621 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.2 O=CC1=CN=CC(F)=C1Cl MC430587 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.8 CC1=CC(Br)=CC(C=O)=N1 MC442797 [0,1,0,0,0,1|1,0,0]=3 623 B10R1.8 CC1=CC(C)=CC(C=O)=C1 CS21068 [0,1,0,0,0,1|1,0,0]=3 624 B10R1.8 CC1=CC(C=O)=CC(Br)=C1 CS12662 [0,1,0,0,0,1|1,0,0]=3 625 B10R1.8 CC1=CC(C=O)=CC(C)=N1 MC443203 [0,1,0,0,0,1|1,0,0]=3 626 B10R1.8 CC1=CC(C=O)=CC(Cl)=C1 MC20818 [0,1,0,0,0,1|1,0,0]=3 627 B10R1.8 CC1=CC(C=O)=CC(F)=C1 CS10961 [0,1,0,0,0,1|1,0,0]=3 628 B10R1.8 CC1=CC(C=O)=CC(O)=C1 CS15684 [0,1,0,0,0,1|1,0,0]=3 629 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 MC110839 [0,1,0,0,0,1|1,0,0]=3 630 B10R1.8 CC1=NC(Cl)=CC(C=O)=N1 MC33388 [0,1,0,0,0,1|1,0,0]=3 631 B10R1.8 NC1=CC(C=O)=NC(Br)=C1 MC33508 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.8 NC1=CC(C=O)=NC(Cl)=C1 MC33507 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.8 O=CC1=CC(Br)=CC(Br)=C1 CS19805 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.8 O=CC1=CC(Br)=CC(Cl)=C1 CS19822 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.8 O=CC1=CC(Br)=CC(F)=C1 CS10230 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.8 O=CC1=CC(Br)=CC(O)=C1 MC33332 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.8 O=CC1=CC(Br)=NC(F)=C1 MC431512 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 MC20139 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.8 O=CC1=CC(Cl)=CC(F)=C1 CS19946 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 CS22223 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.8 O=CC1=CC(F)=CC(F)=C1 MC31120 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.8 O=CC1=CC(F)=CC(I)=C1 MC433438 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.8 O=CC1=CC(F)=CC(O)=C1 MC442226 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.8 O=CC1=CC(F)=NC(F)=C1 MC430170 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.8 O=CC1=CC(O)=CC(O)=C1 CS20257 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.8 O=CC1=NC(Cl)=CC(Br)=C1 MC33510 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.8 O=CC1=NC(Cl)=CC(Cl)=C1 MC431525 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 MC20545 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.30 CC1=C(C=O)C=C(Br)C=N1 MC432423 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 MC41106 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.30 CC1=C(C=O)C=C(F)C=C1 MC20032 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.30 CC1=C(C=O)C=C(I)C=C1 MC425522 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 CS13222 [0,1,0,0,0,1|1,0,0]=3 655 B10R1.30 CC1=CC(C=O)=C(Cl)N=C1 MC432154 [0,1,0,0,0,1|1,0,0]=3 656 B10R1.30 CC1=CC(C=O)=C(F)C=C1 CS10804 [0,1,0,0,0,1|1,0,0]=3 657 B10R1.30 CC1=CC(C=O)=C(N)N=C1 CS14267 [0,1,0,0,0,1|1,0,0]=3 658 B10R1.30 CC1=CC(C=O)=C(O)C=C1 MC33170 [0,1,0,0,0,1|1,0,0]=3 659 B10R1.30 CC1=CC=C(F)N=C1C=O MC431964 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.30 CC1=CC=C(O)C(C=O)=N1 MC442566 [0,1,0,0,0,1|1,0,0]=3 661 B10R1.30 CC1=CNC(=O)C(C=O)=C1 CS16857 [0,1,0,0,0,1|1,0,0]=3 662 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 CS13430 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 MC20404 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.30 NC1=CC=C(Cl)N=C1C=O CS14629 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.30 NC1=NC=C(Br)C=C1C=O MC425458 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.30 NC1=NC=C(Br)N=C1C=O CS15016 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.30 NC1=NC=C(F)C=C1C=O MC431603 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 CS10002 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 CS18798 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 CS10227 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 CS20078 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.30 O=CC1=C(Br)N=CC(Br)=C1 MC432037 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.30 O=CC1=C(Br)N=CC(Cl)=C1 MC430376 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 MC20546 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 CS19231 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 MC41103 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 CS15260 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.30 O=CC1=C(Cl)N=CC(F)=C1 MC430228 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 CS10234 [0,1,0,0,0,1|2,0,0]=4 680 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 CS10265 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.30 O=CC1=C(F)C=CC(F)=C1 CS20008 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.30 O=CC1=C(F)C=CC(O)=C1 CS13428 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.30 O=CC1=C(F)N=CC(Br)=C1 CS12466 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.30 O=CC1=C(F)N=CC(Cl)=C1 MC432510 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.30 O=CC1=C(I)C=CC(Br)=C1 MC433412 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.30 O=CC1=C(I)C=CC(F)=C1 MC433439 [0,1,0,0,0,1|2,0,0]=4 687 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 CS20107 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.30 O=CC1=C(O)C=CC(F)=C1 CS10369 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.30 O=CC1=C(O)C=CC(I)=C1 CS20136 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.30 O=CC1=C(O)C=CC(O)=C1 MC20094 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.30 O=CC1=CC(=O)NC=C1F MC110612 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.30 O=CC1=CC(Br)=CC=C1O CS20084 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.30 O=CC1=CC(Br)=CN=C1Cl MC425502 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.30 O=CC1=CC(Br)=NC=C1Br MC443532 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.30 O=CC1=CC(Br)=NC=C1Cl MC430606 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.30 O=CC1=CC(Br)=NC=C1F MC430124 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.30 O=CC1=CC(Cl)=NC=C1Br MC430304 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.30 O=CC1=CC(Cl)=NC=C1O MC441109 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.30 O=CC1=CC(F)=CN=C1F MC430808 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.30 O=CC1=CC(F)=NC=C1Br MC432144 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.30 O=CC1=NC(Br)=CC=C1F CS22295 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.30 O=CC1=NC(Cl)=CC=C1Br MC442700 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.30 O=CC1=NC(Cl)=CC=C1Cl CS12664 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl MC104278 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,0,1|1,0,0]=3 708 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,0,1|1,0,0]=3 709 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,0,1|1,0,0]=3 717 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,0,1|1,0,0]=3 719 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,1,0,0,0,1|1,0,0]=3 723 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,1,0,0,0,1|1,0,0]=3 724 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,1,0,0,0,1|1,0,0]=3 725 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,1,0,0,0,1|1,0,0]=3 727 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,1,0,0,0,1|1,0,0]=3 728 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,1,0,0,0,1|1,0,0]=3 729 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,1,0,0,0,1|1,0,1]=4 730 B10R1.113 CC1=NC(C(=N)N)=NC=C1 MC444358 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,1,0,0,0,1|1,0,0]=3 732 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,1,0,0,0,1|1,0,0]=3 733 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,1,0,0,0,1|1,0,0]=3 734 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,1,0,0,0,1|1,0,0]=3 735 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 CS13626 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 MC444184 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,1,0,0,0,1|2,0,0]=4 758 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,1,0,0,0,1|2,0,0]=4 768 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,1,0,0,0,1|2,0,0]=4 773 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,1,0,0,0,1|2,0,0]=4 774 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,1,0,0,0,1|2,0,0]=4 781 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,1,0,0,0,1|2,0,0]=4 782 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,1,0,0,0,1|2,0,0]=4 787 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [0,1,0,0,0,1|1,0,0]=3 789 B10R1.172 COC1=CC(C=O)=NC=C1 MC425477 [0,1,0,0,0,1|1,0,0]=3 790 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [0,1,0,0,0,1|1,0,0]=3 791 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [0,1,0,0,0,1|1,0,0]=3 792 B10R1.172 COC1=CN=CC(C=O)=C1 CS17827 [0,1,0,0,0,1|1,0,0]=3 793 B10R1.172 COC1=NC=CC(C=O)=C1 CS15775 [0,1,0,0,0,1|1,0,0]=3 794 B10R1.172 COC1=NC=CC(C=O)=N1 CS12643 [0,1,0,0,0,1|1,0,0]=3 795 B10R1.172 CSC1=NC=CC(C=O)=N1 CS19811 [0,1,0,0,0,1|1,0,0]=3 796 B10R1.172 N#CC1=CC(C=O)=CC=C1 CS14027 [0,1,0,0,0,1|1,0,1]=4 797 B10R1.172 N#CC1=NC(C=O)=CC=C1 CS16109 [0,1,0,0,0,1|1,0,1]=4 798 B10R1.172 NCC1=CC(C=O)=CN=C1 MC33471 [0,1,0,0,0,1|1,0,0]=3 799 B10R1.172 NCC1=NC=CC(C=O)=C1 MC33470 [0,1,0,0,0,1|1,0,0]=3 800 B10R1.172 O=CC1=CC(CBr)=CC=C1 MC430420 [0,1,0,0,0,1|1,0,0]=3 801 B10R1.172 O=CC1=CC=CC(C=O)=C1 CS20788 [0,1,0,0,0,1|1,0,1]=4 802 B10R1.172 O=CC1=CC=CC(C=O)=N1 MC10353 [0,1,0,0,0,1|1,0,1]=4 803 B10R1.172 O=CC1=NC=CC(CO)=C1 MC102699 [0,1,0,0,0,1|1,0,0]=3 804 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,2,0,0,0,0|0,0,0]=2 805 B10R1.14 CCC(N)C1=CC=C(C)O1 CS16467 [0,2,0,0,0,0|1,0,1]=4 806 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,2,0,0,0,0|2,0,0]=4 807 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,2,0,0,0,0|1,0,0]=3 808 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,2,0,0,0,0|1,1,0]=4 809 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,2,0,0,0,0|1,0,0]=3 810 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,2,0,0,0,0|1,1,0]=4 811 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,2,0,0,0,0|2,0,0]=4 812 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,2,0,0,0,0|2,0,0]=4 813 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,2,0,0,0,0|1,1,0]=4 814 B10R1.14 COC(=O)C1=NN=C(C)O1 CS15328 [0,2,0,0,0,0|2,0,0]=4 815 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [0,2,0,0,0,0|0,0,0]=2 816 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,2,0,0,0,0|1,1,0]=4 817 B10R1.31 N#CC1=CC=C(C(=O)O)O1 MC114976 [0,2,0,0,0,0|0,0,1]=3 818 B10R1.31 N#CC1=CC=C(C(=O)O)S1 CS14026 [0,2,0,0,0,0|0,1,1]=4 819 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,2,0,0,0,0|0,0,0]=2 820 B10R1.31 O=C(O)C1=CSC(CO)=N1 MC31089 [0,2,0,0,0,0|2,0,0]=4 821 B10R1.31 O=CC1=CC=C(B(O)O)O1 CS22063 [0,2,0,0,0,0|1,0,0]=3 822 B10R1.31 O=CC1=CC=C(B(O)O)S1 CS17626 [0,2,0,0,0,0|1,1,0]=4 823 B10R1.31 O=CC1=CC=C(C(=O)O)S1 MC41685 [0,2,0,0,0,0|0,1,1]=4 824 B10R1.31 O=CC1=CC=C([N+](=O)[O-])O1 MC428370 [0,2,0,0,0,0|1,0,0]=3 825 B10R1.31 O=CC1=CC=C([N+](=O)[O-])S1 CS17401 [0,2,0,0,0,0|1,1,0]=4 826 B10R1.31 O=Cc1ccc(C(=O)O)o1 CS18919 [0,2,0,0,0,0|0,0,1]=3 827 B10R1.31 OCC1=CC=C(B(O)O)O1 MC114366 [0,2,0,0,0,0|1,0,1]=4 828 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,2,0,0,0,0|2,0,0]=4 829 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 MC442190 [0,2,0,0,0,0|1,1,0]=4 830 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 MC113285 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 CS13168 [0,2,0,0,0,0|1,0,0]=3 832 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CS10099 [0,2,0,0,0,0|1,1,0]=4 833 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 CS22732 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.59 CN1C=C(N)C(C(N)=O)=N1 CS13391 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 MC430778 [0,2,0,0,0,0|1,1,0]=4 836 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,2,0,0,0,0|1,1,0]=4 837 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,2,0,0,0,0|0,1,0]=3 838 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,2,0,0,0,0|1,1,0]=4 839 B10R1.58 CN1N=C(C(=O)O)C=C1Br MC443314 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.58 CN1N=C(C(=O)O)C=C1Cl MC100365 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.58 CN1N=C(C(=O)O)C=C1N MC102000 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 CS21776 [0,2,0,0,0,0|1,1,0]=4 843 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 CS17233 [0,2,0,0,0,0|1,0,0]=3 844 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 CS22495 [0,2,0,0,0,0|1,1,0]=4 845 B10R1.55 CC1=CC=C(C(F)(F)F)O1 MC429054 [0,2,0,0,0,0|1,0,1]=4 846 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.194 CC1=CSC(C(=O)O)=C1N CS22070 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [0,2,0,0,0,0|2,0,0]=4 849 B8R1.2 O=CC1=CC=CN=N1 MC121079 [0,0,1,1,0,0|2,0,0]=4 850 B8R1.2 O=CC1=CN=CC=C1 CS19090 [0,0,1,1,0,0|2,0,0]=4 851 B8R1.2 O=CC1=NC=CC=C1 CS18610 [0,0,1,1,0,0|1,0,1]=4 852 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [0,0,1,1,0,0|2,0,0]=4 853 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [0,0,1,1,0,0|2,0,0]=4 854 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [0,0,1,1,0,0|2,0,0]=4 855 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [0,0,1,1,0,0|2,0,0]=4 856 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [0,0,1,1,0,0|2,0,0]=4 857 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [0,0,1,1,0,0|2,0,0]=4 858 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [0,0,1,1,0,0|1,0,0]=3 859 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [0,0,1,1,0,0|1,0,0]=3 860 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [0,0,1,1,0,0|2,0,0]=4 861 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [0,0,1,1,0,0|1,1,0]=4 862 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [0,0,1,1,0,0|2,0,0]=4 863 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [0,0,1,1,0,0|2,0,0]=4 864 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [0,0,1,1,0,0|2,0,0]=4 865 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,0,1,1,0,0|2,0,0]=4 866 B8R1.3 CC1=NC=C(Br)C=C1 CS22031 [0,0,1,1,0,0|2,0,0]=4 867 B8R1.3 CC1=NC=C(F)C=C1 MC433052 [0,0,1,1,0,0|2,0,0]=4 868 B8R1.3 CC1=NC=C(I)C=C1 MC20376 [0,0,1,1,0,0|2,0,0]=4 869 B8R1.3 CC1=NC=C(O)C=N1 CS10401 [0,0,1,1,0,0|2,0,0]=4 870 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,0,1,1,0,0|2,0,0]=4 871 B8R1.3 NC1=CC=C(O)C=C1 MC41146 [0,0,1,1,0,0|2,0,0]=4 872 B8R1.3 NC1=CC=C(O)C=N1 CS13087 [0,0,1,1,0,0|2,0,0]=4 873 B8R1.3 NC1=CC=C(O)C=N1 CS18367 [0,0,1,1,0,0|2,0,0]=4 874 B8R1.3 O=C1C=CC(=O)C=C1 CS20528 [0,0,1,1,0,0|2,0,0]=4 875 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [0,0,1,1,0,0|2,0,0]=4 876 B8R1.3 OC1=CC=C(Br)C=C1 MC41163 [0,0,1,1,0,0|2,0,0]=4 877 B8R1.3 OC1=CC=C(Br)N=C1 CS14988 [0,0,1,1,0,0|2,0,0]=4 878 B8R1.3 OC1=CC=C(Cl)C=C1 CS22792 [0,0,1,1,0,0|2,0,0]=4 879 B8R1.3 OC1=CC=C(Cl)N=C1 CS21853 [0,0,1,1,0,0|2,0,0]=4 880 B8R1.3 OC1=CC=C(F)C=C1 MC41198 [0,0,1,1,0,0|2,0,0]=4 881 B8R1.3 OC1=CC=C(F)N=C1 CS14991 [0,0,1,1,0,0|2,0,0]=4 882 B8R1.3 OC1=CC=C(I)C=C1 MC20152 [0,0,1,1,0,0|2,0,0]=4 883 B8R1.3 OC1=CC=C(I)N=C1 MC107165 [0,0,1,1,0,0|2,0,0]=4 884 B8R1.3 OC1=CC=C(O)C=C1 MC41215 [0,0,1,1,0,0|2,0,0]=4 885 B8R1.3 OC1=CN=C(O)C=C1 CS21147 [0,0,1,1,0,0|2,0,0]=4 886 B8R1.5 CC1=CC=CC=C1O CS11813 [0,0,1,1,0,0|1,0,1]=4 887 B8R1.5 CC1=NC=CC=C1O MC20374 [0,0,1,1,0,0|2,0,0]=4 888 B8R1.5 NC1=C(O)C=CC=C1 CS21309 [0,0,1,1,0,0|1,0,1]=4 889 B8R1.5 NC1=CC=CNC1=O CS15503 [0,0,1,1,0,0|2,0,0]=4 890 B8R1.5 NC1=NC=CC=C1O CS22765 [0,0,1,1,0,0|2,0,0]=4 891 B8R1.5 O=C1C=COC=C1O CS16007 [0,0,1,1,0,0|1,0,1]=4 892 B8R1.5 O=C1NC=CC=C1Cl CS13621 [0,0,1,1,0,0|2,0,0]=4 893 B8R1.5 O=C1NC=CC=C1F CS13754 [0,0,1,1,0,0|2,0,0]=4 894 B8R1.5 O=C1NC=CC=C1I CS16075 [0,0,1,1,0,0|2,0,0]=4 895 B8R1.5 O=C1NC=CC=C1O CS22752 [0,0,1,1,0,0|1,0,0]=3 896 B8R1.5 O=C1NC=NC=C1O CS15721 [0,0,1,1,0,0|2,0,0]=4 897 B8R1.5 O=C1OC=CC=C1O CS22311 [0,0,1,1,0,0|1,0,0]=3 898 B8R1.5 OC1=C(Br)C=CC=C1 CS19429 [0,0,1,1,0,0|1,0,1]=4 899 B8R1.5 OC1=C(Cl)C=CC=C1 MC41174 [0,0,1,1,0,0|1,0,1]=4 900 B8R1.5 OC1=C(F)C=CC=C1 MC20096 [0,0,1,1,0,0|1,0,1]=4 901 B8R1.5 OC1=C(I)C=CC=C1 MC20193 [0,0,1,1,0,0|1,0,1]=4 902 B8R1.5 OC1=CC=CC=C1O CS11109 [0,0,1,1,0,0|0,0,2]=4 903 B8R1.5 OC1=CC=CN=C1Br CS17449 [0,0,1,1,0,0|2,0,0]=4 904 B8R1.5 OC1=CC=CN=C1Cl CS17508 [0,0,1,1,0,0|2,0,0]=4 905 B8R1.5 OC1=CC=CN=C1F CS13836 [0,0,1,1,0,0|2,0,0]=4 906 B8R1.5 OC1=CC=CN=C1I CS14294 [0,0,1,1,0,0|2,0,0]=4