0 B8R1.3 CC1=CC=C(Cl)N=N1 BBL036277 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CC1=CC=[N+]([O-])C=C1 BBL027567 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.3 CC1=CN=C(S)N=C1 BBL038257 [0,0,0,0,0,0|3,1,0]=4 3 B8R1.3 ClC1=CC=C(Br)C=N1 BBL012798 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 FC1=CN=C(Cl)C=C1 BBL029883 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.3 NC1=CC=C(N)C=C1 BBL011602 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.3 NC1=CN=C(Cl)C=C1 BBL011061 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 O=C1C=CC(=O)C=C1 BBL010327 [0,0,0,0,0,0|0,0,2]=2 8 B8R1.3 OC1=NC=C(Cl)C=C1 BBL027573 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 BrC1=CC=CC=N1 BBL027568 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.3 BrC1=CC=NC=C1 BBL009972 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.3 BrC1=CN=CC=C1 BBL027581 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.3 CC1=CC=NC=C1 BBL011459 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 ClC1=NC=CC=C1 BBL027569 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.3 ClC1=NC=CN=C1 BBL011919 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 FC1=CC=CC=N1 BBL010032 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 IC1=CC=NC=C1 BBL009973 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 NC1=CC=CC=N1 BBL011573 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 OC1=CC=NC=C1 BBL022970 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.3 OC1=CN=CC=C1 BBL010946 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.3 OC1=NC=CC=C1 BBL027571 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.3 SC1=NC=CC=N1 BBL025630 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.1 BrCC1=CC=C(I)C=C1 BBL028392 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.1 CNC1=CC=C(Br)C=N1 BBL023686 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.1 COC1=CC=C(S)C=C1 BBL027485 [0,1,0,0,0,0|0,1,0]=2 25 B9R1.1 CSC1=CC=C(O)C=C1 BBL104214 [0,1,0,0,0,0|0,1,0]=2 26 B9R1.1 ClCC1=CC=C(Br)C=C1 BBL027953 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.1 NC1=CC=C(C=O)C=C1 BBL013016 [0,1,0,0,0,0|1,0,1]=3 28 B9R1.1 NCC1=CC=C(N)C=C1 BBL012240 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.1 NNC1=CC=C(Br)C=C1 BBL009630 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.1 NNC1=CC=C(Cl)C=C1 BBL025596 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.1 NNC1=CC=C(I)C=C1 BBL020471 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.1 OCC1=CC=C(Cl)C=C1 BBL011936 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.1 OCC1=CC=C(F)C=C1 BBL027470 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.69 CC1=C(F)C=C(N)C=C1 BBL100253 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.69 CC1=C(N)C=C(N)C=C1 BBL011285 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.69 CC1=CC(=O)C(O)=CO1 BBL034899 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.69 CC1=CC(=O)C=CC1=O BBL037012 [0,1,0,0,0,0|0,0,2]=3 38 B9R1.69 CC1=CC(C)=C(O)C=C1 BBL011443 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.69 CC1=CC(N)=C(N)C=C1 BBL013178 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.69 CC1=CC(N)=C(O)C=C1 BBL001485 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.69 CC1=CC(O)=C(N)C=C1 BBL002991 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.69 NC1=C(Br)C=C(Br)C=N1 BBL000187 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.69 NC1=C(Cl)C=C(Br)C=C1 BBL035749 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.69 NC1=CC(Br)=CN=C1N BBL013028 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.69 NC1=CC(Cl)=CC=C1Cl BBL037329 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.69 NC1=CC(Cl)=CC=C1O BBL012067 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.69 NC1=CC=C(Br)C=C1I BBL018997 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.69 NC1=CC=C(Cl)C=C1N BBL027789 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.69 NC1=CC=C(Cl)C=C1O BBL018708 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.69 OC1=NC=C(I)C(O)=N1 BBL035414 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.2 CC1=CC(O)=NO1 BBL033480 [0,0,0,0,1,0|3,0,0]=4 52 B7R1.2 NC1=CC(O)=NO1 BBL028339 [0,0,0,0,1,0|3,0,0]=4 53 B7R1.2 [O-][N+]1=CN(O)C=C1 BBL028359 [0,0,0,0,1,0|2,0,1]=4 54 B6R1.1 C1=CN=CC=N1 BBL027560 [2,0,0,0,0,0|2,0,0]=4 55 B6R1.1 C1=CN=NC=C1 BBL027585 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.23 C\C(=C/C(=O)O)C(=O)O BBL023435 [0,1,1,0,0,0|2,0,0]=4 57 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.2 COC1=NC=CC=C1 BBL011495 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.2 N#CC1=CN=CC=C1 BBL037217 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.2 NCC1=CC=CN=C1 BBL036897 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.2 NNC1=CC=CC=C1 BBL011601 [1,1,0,0,0,0|1,0,0]=3 64 B8R1.2 NNC1=NC=CC=C1 BBL027570 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [1,1,0,0,0,0|1,0,1]=4 66 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.2 OCC1=CC=CC=C1 BBL011938 [1,1,0,0,0,0|0,0,0]=2 68 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.4 NC1=CC(S)=CC=C1 BBL027659 [1,1,0,0,0,0|0,1,0]=3 72 B8R1.4 NC1=CC=CC(N)=N1 BBL011548 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.4 NC1=CC=NC(Cl)=C1 BBL009974 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.4 NC1=NC=CC(Cl)=C1 BBL011142 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.4 [O-][N+]1=CC=CC(O)=C1 BBL027566 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.5 CC1=C(Br)C=NC=C1 BBL028165 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.5 CC1=CC=NC=C1C BBL027583 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.5 C[N+]1=CC=CC=C1Cl BBL011337 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.5 NC1=C(N)C=NC=C1 BBL013269 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [1,1,0,0,0,0|1,0,0]=3 82 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [1,1,0,0,0,0|1,0,0]=3 83 B8R1.5 NC1=CC=CN=C1N BBL011063 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [1,1,0,0,0,0|1,0,0]=3 85 B8R1.5 OC1=CC=CN=C1Br BBL013305 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.1 CC1=CC=C(N=C=S)C=C1 BBL008372 [0,2,0,0,0,0|1,1,0]=4 88 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.1 FC1=CC=C(N=C=S)C=C1 BBL012572 [0,2,0,0,0,0|1,1,0]=4 90 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.1 O=C=NC1=CC=C(Br)C=C1 BBL037653 [0,2,0,0,0,0|1,0,1]=4 94 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 BBL012220 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.1 S=C=NC1=CC=C(Cl)C=C1 BBL027480 [0,2,0,0,0,0|1,1,0]=4 96 B10R1.3 CCC1=CC=C(NN)C=C1 BBL022324 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.3 COC1=CC=C(CO)C=C1 BBL027471 [0,2,0,0,0,0|0,0,0]=2 98 B10R1.3 COC1=CC=C(NN)C=C1 BBL012156 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.3 CSC1=CC=C(CN)C=C1 BBL037745 [0,2,0,0,0,0|1,1,0]=4 100 B10R1.3 N#CC1=CC=C(CCl)C=C1 BBL012561 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [0,2,0,0,0,0|1,0,1]=4 105 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [0,2,0,0,0,0|0,1,0]=3 109 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BBL018585 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BBL011385 [0,2,0,0,0,0|1,0,1]=4 111 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [0,2,0,0,0,0|0,0,0]=2 112 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BBL001444 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BBL009090 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BBL013182 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BBL027638 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.25 CC1=CC(C)=C(NN)C=C1 BBL020466 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.25 COC1=CC=C(N)C=C1F BBL100259 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 BBL009650 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.25 NCC1=CC=C(F)C=C1Cl BBL037739 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.25 NNC1=CC=C(Br)C=C1F BBL012160 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.25 NNC1=CC=C(Cl)C=C1F BBL011332 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.25 NNC1=CC=C(F)C=C1F BBL012158 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 BBL028278 [0,2,0,0,0,0|1,0,1]=4 124 B10R1.25 O=CC1=CC=C(Br)C=C1F BBL011909 [0,2,0,0,0,0|1,0,1]=4 125 B10R1.25 O=CC1=CC=C(O)C=C1O BBL012171 [0,2,0,0,0,0|0,0,1]=3 126 B10R1.176 CC1=C(C)C=C(CN)C=C1 BBL037742 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.176 CC1=CC=C(NN)C=C1Cl BBL022202 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.176 CCC1=CC=C(O)C(N)=C1 BBL008072 [0,2,0,0,0,0|1,0,0]=3 129 B10R1.176 COC1=CC(N)=C(O)C=C1 BBL000043 [0,2,0,0,0,0|0,0,0]=2 130 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 BBL014075 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 BBL037738 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 BBL036718 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.176 NNC1=CC(Cl)=C(Cl)C=C1 BBL022192 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.176 O=C1C=C(CCl)OC=C1O BBL010839 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.176 O=C1C=C(CO)OC=C1O BBL010645 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BBL036948 [0,2,0,0,0,0|1,0,1]=4 137 B10R1.176 O=CC1=CC=C(O)C(O)=C1 BBL010377 [0,2,0,0,0,0|0,0,1]=3 138 B10R1.22 CC1=C(N)C(Br)=CC(Br)=C1 BBL008032 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.22 CC1=C(N)C(Br)=CC(N)=C1 BBL035150 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.22 CC1=CC(Br)=C(N)C(Br)=C1 BBL020090 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.22 CC1=CC(Br)=C(N)C(N)=C1 BBL035779 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.22 CC1=CC(Br)=C(O)C(N)=C1 BBL000385 [0,2,0,0,0,0|1,0,0]=3 143 B10R1.22 CC1=CC(Br)=CC(Cl)=C1N BBL025703 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.22 CC1=CC(N)=C(I)C(C)=C1 BBL024790 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.22 CC1=CC(N)=C(O)C(C)=C1 BBL008044 [0,2,0,0,0,0|1,0,0]=3 146 B10R1.22 CC1=CC(N)=CC(C)=C1Br BBL025853 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.22 CC1=CC(N)=CC(C)=C1O BBL003443 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.22 CC1=CC(N)=CC(N)=C1C BBL002799 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.22 CC1=CC(O)=CC(=O)N1C BBL037276 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.22 NC1=C(Br)C=C(Cl)C=C1Br BBL000062 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.22 NC1=C(Cl)C=C(Br)C=C1Br BBL018982 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.22 NC1=C(N)C(Br)=CC(Cl)=C1 BBL035989 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.22 NC1=C(O)C(Cl)=CC(Cl)=C1 BBL023465 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.22 NC1=CC(Br)=C(N)C(Br)=C1 BBL029679 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.22 NC1=CC(Br)=C(O)C(Br)=C1 BBL012064 [0,2,0,0,0,0|1,0,0]=3 156 B10R1.30 CC1=CC=C(Cl)C=C1NN BBL022189 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.30 CCC1=C(N)C=CC(I)=C1 BBL018999 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.30 N#CC1=C(N)C=CC(Cl)=C1 BBL011042 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.30 N#CC1=CC(Cl)=CC=C1Cl BBL011046 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.30 N#CC1=CC(F)=CC=C1N BBL011048 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.30 NNC1=CC(F)=CC=C1Cl BBL011333 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 BBL104269 [0,2,0,0,0,0|1,0,0]=3 163 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 BBL013072 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 BBL029881 [0,2,0,0,0,0|2,0,0]=4 165 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 BBL009380 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.118 CC1=CC(N)=C(O)C=C1C BBL009518 [0,2,0,0,0,0|1,0,0]=3 167 B10R1.118 O=C1C=C(O)C(=O)C=C1O BBL011605 [0,2,0,0,0,0|0,0,0]=2 168 B10R1.119 CC1=C(C)C(O)=CC=C1O BBL027769 [0,2,0,0,0,0|0,0,0]=2 169 B10R1.119 CC1=C(Cl)C(N)=CC=C1Cl BBL003432 [0,2,0,0,0,0|2,0,0]=4 170 B10R1.119 CC1=CC=C(N)C(O)=C1C BBL002402 [0,2,0,0,0,0|2,0,0]=4 171 B6R1.2 ClC1=CC=CS1 BBL027523 [1,0,0,0,1,0|2,0,0]=4