0 B9R1.6 CC(=O)C1=NC=CN=C1 BBL037027 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 N=C(N)C1=CN=CC=N1 BBL004495 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.2 COC1=NC=CC=C1 BBL011495 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 N#CC1=CN=CC=C1 BBL037217 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.2 NCC1=CC=CN=C1 BBL036897 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.2 NNC1=CC=CC=C1 BBL011601 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 OCC1=CC=CC=C1 BBL011938 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.13 CC1=CC=C(C(N)=O)C=N1 BBL100086 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [0,1,0,0,0,0|2,1,0]=4 29 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BBL018585 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 BBL009980 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BBL011385 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BBL001444 [0,1,0,0,0,0|1,0,1]=3 34 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BBL009090 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BBL015079 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BBL013182 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BBL027638 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 BBL009800 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.15 C\C(=N/O)C1=CC=NC=C1 BBL039596 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.15 C\C(=N/O)C1=CN=CC=C1 BBL036784 [0,1,0,0,0,0|0,0,1]=2 43 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.15 NNC(=O)C1=CC=NC=C1 BBL008409 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.15 NNC(=O)C1=CN=CC=C1 BBL003565 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.15 NNC(=O)C1=NC=CC=C1 BBL003530 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BBL005528 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.15 N\C(=N/O)C1=CN=CC=C1 BBL005295 [0,1,0,0,0,0|1,0,1]=3 50 B10R1.15 N\C(=N/O)C1=NC=CN=C1 BBL018152 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [0,1,0,0,0,0|2,1,0]=4 57 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.61 NC1=C(C(=O)O)C=NC=N1 BBL028016 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.61 O=C(O)C1=CC=CN=C1S BBL005413 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.61 O=C(O)C1=CC=CNC1=O BBL009636 [0,1,0,0,0,0|1,0,1]=3 65 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 BBL011066 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O BBL011064 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.113 CC(N)C1=CC(O)=CC=C1 BBL023566 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 BBL017910 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.113 CC1=CC=CC(C(=O)O)=N1 BBL023748 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 BBL028416 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BBL028889 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BBL011806 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BBL037339 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BBL009435 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 BBL025793 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.113 O=C(O)C1=CC(O)=CC=C1 BBL011983 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BBL010930 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 BBL012227 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BBL010816 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [0,0,0,0,1,0|0,0,1]=2 84 B8R1.7 CS(=O)C1=NNC=N1 BBL013230 [0,0,0,0,1,0|3,0,0]=4 85 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [0,0,0,0,1,0|2,0,0]=3 86 B8R1.7 O=C(Cl)C1=CSN=N1 BBL010219 [0,0,0,0,1,0|3,0,0]=4 87 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [0,0,0,0,1,0|2,0,0]=3 88 B8R1.7 O=C(O)C1=CNN=C1 BBL104304 [0,0,0,0,1,0|2,0,0]=3 89 B8R1.7 O=C(O)C1=COC=C1 BBL025800 [0,0,0,0,1,0|2,0,0]=3 90 B8R1.7 O=C(O)C1=CSN=N1 BBL010216 [0,0,0,0,1,0|3,0,0]=4 91 B8R1.7 O=C(O)C1=NN=CN1 BBL033501 [0,0,0,0,1,0|3,0,0]=4 92 B8R1.7 O=[N+]([O-])C1=CNC=N1 BBL027506 [0,0,0,0,1,0|3,0,0]=4 93 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,0,0,0,1|3,0,0]=4 94 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [0,0,0,0,0,1|2,1,0]=4 95 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [0,0,0,0,0,1|2,0,0]=3 96 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [0,0,0,0,0,1|2,0,0]=3 97 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,0,0,0,1|1,0,0]=2 98 B7R0.4 C\C=C\C=C/C(=O)O BBL011617 [1,0,1,0,0,0|1,0,1]=4 99 B7R1.3 BrC1=CN=CC=C1 BBL027581 [2,0,0,0,0,0|1,0,0]=3 100 B7R1.3 CC1=CC=NC=C1 BBL011459 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.3 ClC1=NC=CN=C1 BBL011919 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.3 OC1=CN=CC=C1 BBL010946 [2,0,0,0,0,0|0,0,1]=3 103 B9R1.1 COC1=CC=C(S)C=C1 BBL027485 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.1 CSC1=CC=C(O)C=C1 BBL104214 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.1 NC1=CC=C(C=O)C=C1 BBL013016 [1,1,0,0,0,0|1,0,0]=3 106 B9R1.2 O=CC1=NC(Br)=CC=C1 BBL011062 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,1,0,0,0,0|1,0,1]=4 108 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,1,0,0,0,0|1,0,1]=4 109 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [1,1,0,0,0,0|1,0,1]=4 110 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [1,1,0,0,0,0|1,0,1]=4 111 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,1,0,0,0,0|1,0,1]=4 112 B9R1.15 NC1=NC=CC=C1C=O BBL012800 [1,1,0,0,0,0|0,0,0]=2 113 B9R1.15 O=CC1=CC=CN=C1Cl BBL011559 [1,1,0,0,0,0|0,0,0]=2 114 B9R1.11 CCC(=O)C1=CC=CS1 BBL037420 [0,1,0,0,1,0|1,0,0]=3 115 B9R1.11 COC(=O)C1=CNN=C1 BBL038232 [0,1,0,0,1,0|1,0,0]=3 116 B9R1.11 C\C(=N/O)C1=CC=CO1 BBL039597 [0,1,0,0,1,0|1,0,1]=4 117 B9R1.11 NNC(=O)C1=CC=CS1 BBL104270 [0,1,0,0,1,0|2,0,0]=4 118 B9R1.11 NNC(=O)C1=CC=NN1 BBL014144 [0,1,0,0,1,0|2,0,0]=4 119 B9R1.35 CC(=O)C1=CC(Br)=CS1 BBL104318 [0,1,0,0,1,0|1,0,0]=3 120 B9R1.35 CC(=O)C1=CC=C(C)O1 BBL027428 [0,1,0,0,1,0|1,0,0]=3 121 B9R1.35 CC(=O)C1=CN(C)N=C1 BBL028299 [0,1,0,0,1,0|1,0,0]=3 122 B9R1.35 CC(=O)C1=NN(C)C=C1 BBL039361 [0,1,0,0,1,0|1,0,0]=3 123 B9R1.35 CC1=CC(C(=O)Cl)=CS1 BBL014946 [0,1,0,0,1,0|2,0,0]=4 124 B9R1.35 CC1=CC(C(=O)Cl)=NO1 BBL014478 [0,1,0,0,1,0|2,0,0]=4 125 B9R1.35 CC1=CC(C(=O)O)=NO1 BBL015822 [0,1,0,0,1,0|2,0,0]=4 126 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BBL014853 [0,1,0,0,1,0|2,0,0]=4 127 B9R1.35 CC1=CC=C(C(=O)O)S1 BBL037421 [0,1,0,0,1,0|2,0,0]=4 128 B9R1.35 CC1=NC(C(=O)O)=CO1 BBL028443 [0,1,0,0,1,0|2,0,0]=4 129 B9R1.35 CC1=NOC(C(=O)O)=C1 BBL016103 [0,1,0,0,1,0|2,0,0]=4 130 B9R1.35 CN1C=C(C(=O)Cl)C=N1 BBL041082 [0,1,0,0,1,0|2,0,0]=4 131 B9R1.35 CN1C=CC(C(=O)Cl)=N1 BBL037396 [0,1,0,0,1,0|2,0,0]=4 132 B9R1.35 NC(=O)C1=CC=C(Br)O1 BBL037288 [0,1,0,0,1,0|2,0,0]=4 133 B9R1.35 NC1=CC(C(=O)O)=NN1 BBL038225 [0,1,0,0,1,0|2,0,0]=4 134 B9R1.35 NC1=NC(C(=O)O)=CS1 BBL003682 [0,1,0,0,1,0|2,0,0]=4 135 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BBL014852 [0,1,0,0,1,0|2,0,0]=4 136 B9R1.35 O=C(O)C1=CC(Br)=CS1 BBL038304 [0,1,0,0,1,0|2,0,0]=4 137 B9R1.35 O=C(O)C1=CC(Cl)=CN1 BBL025690 [0,1,0,0,1,0|1,0,1]=4 138 B9R1.35 O=C(O)C1=CC(Cl)=NO1 BBL029454 [0,1,0,0,1,0|2,0,0]=4 139 B9R1.35 O=C(O)C1=CC=C(Br)O1 BBL009134 [0,1,0,0,1,0|2,0,0]=4 140 B9R1.35 O=C(O)C1=CC=C(Br)S1 BBL016317 [0,1,0,0,1,0|2,0,0]=4 141 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BBL037515 [0,1,0,0,1,0|2,0,0]=4 142 B9R1.35 O=C(O)C1=CC=C(F)S1 BBL040753 [0,1,0,0,1,0|2,0,0]=4 143 B9R1.35 O=C(O)C1=CN=C(Br)S1 BBL010885 [0,1,0,0,1,0|2,0,0]=4 144 B9R1.35 O=C(O)C1=CSC(Br)=N1 BBL010836 [0,1,0,0,1,0|2,0,0]=4 145 B9R1.41 CC(=O)C1=CC=NN1C BBL030287 [0,1,0,0,1,0|1,0,0]=3 146 B9R1.41 CC1=NNC=C1C(=O)O BBL011874 [0,1,0,0,1,0|2,0,0]=4 147 B9R1.41 CN1N=CC=C1C(=O)Cl BBL037395 [0,1,0,0,1,0|2,0,0]=4 148 B9R1.41 NC(=O)C1=C(N)SC=C1 BBL013529 [0,1,0,0,1,0|2,0,0]=4 149 B9R1.41 NC(=O)C1=CNN=C1N BBL010022 [0,1,0,0,1,0|2,0,0]=4 150 B9R1.41 NC1=C(C(=O)O)C=NN1 BBL018009 [0,1,0,0,1,0|2,0,0]=4 151 B9R1.41 O=C(Cl)C1=NNC=C1Cl BBL039671 [0,1,0,0,1,0|2,0,0]=4 152 B9R1.41 O=C(O)C1=C(I)C=NN1 BBL016065 [0,1,0,0,1,0|2,0,0]=4 153 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BBL008068 [0,1,0,0,0,1|1,0,0]=3 154 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BBL005229 [0,1,0,0,0,1|1,0,0]=3 155 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BBL012281 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BBL018950 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBL027456 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [0,1,0,0,0,1|1,1,0]=4 161 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,1,0,0,0,1|1,0,0]=3 162 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [0,1,0,0,0,1|1,0,0]=3 163 B11R1.40 NCC(=O)NC1=CC=NC=C1 BBL007617 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.40 NCC(=O)NC1=NC=CC=C1 BBL011243 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.40 NNC(=O)NC1=CC=CC=C1 BBL036427 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,1,0,0,0,1|1,0,0]=3 168 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BBL037290 [0,1,0,0,0,1|1,0,0]=3 170 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBL009447 [0,1,0,0,0,1|1,0,0]=3 171 B11R1.157 CC(=O)NC1=NC(Cl)=CN=C1 BBL029206 [0,1,0,0,0,1|1,0,0]=3 172 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BBL032017 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BBL007869 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BBL027748 [0,2,0,0,0,0|1,0,0]=3 175 B11R1.3 COC1=NC=C(C(=O)O)C=C1 BBL004515 [0,2,0,0,0,0|1,0,0]=3 176 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 BBL009965 [0,2,0,0,0,0|1,0,0]=3 177 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BBL008190 [0,2,0,0,0,0|2,0,0]=4 178 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 BBL013694 [0,2,0,0,0,0|2,0,0]=4 179 B11R1.21 CC(=O)C1=CC=C(Cl)C(Cl)=C1 BBL027299 [0,2,0,0,0,0|1,0,0]=3 180 B11R1.21 CC1=CC=C(C(=O)O)C=C1N BBL009326 [0,2,0,0,0,0|2,0,0]=4 181 B11R1.21 CC1=CC=C(C(N)=O)C=C1N BBL025656 [0,2,0,0,0,0|2,0,0]=4 182 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 BBL031409 [0,2,0,0,0,0|2,0,0]=4 183 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 BBL027919 [0,2,0,0,0,0|2,0,0]=4 184 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 BBL010301 [0,2,0,0,0,0|2,0,0]=4 185 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 BBL012255 [0,2,0,0,0,0|2,0,0]=4 186 B11R1.21 NC1=CC(C(=O)O)=CC=C1Br BBL025694 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.21 NC1=CC(C(=O)O)=CC=C1F BBL028248 [0,2,0,0,0,0|2,0,0]=4 188 B11R1.21 NC1=CC=C(C(=O)O)C=C1S BBL030856 [0,2,0,0,0,0|2,0,0]=4 189 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 BBL027768 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 BBL010023 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 BBL010021 [0,2,0,0,0,0|2,0,0]=4 192 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 BBL011050 [0,2,0,0,0,0|2,0,0]=4 193 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 BBL012232 [0,2,0,0,0,0|2,0,0]=4 194 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBL011845 [0,2,0,0,0,0|1,0,0]=3 195 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BBL012115 [0,2,0,0,0,0|1,0,0]=3 196 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBL005648 [0,2,0,0,0,0|1,0,0]=3 197 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BBL028371 [0,2,0,0,0,0|1,0,0]=3 198 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BBL023523 [0,2,0,0,0,0|2,0,0]=4 199 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 BBL003589 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 BBL003523 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BBL008415 [0,2,0,0,0,0|2,0,0]=4 202 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBL012128 [0,2,0,0,0,0|1,0,0]=3 203 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl BBL027300 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BBL028202 [0,2,0,0,0,0|1,0,0]=3 205 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BBL028630 [0,2,0,0,0,0|1,0,1]=4 206 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 BBL028336 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.166 CC1=NC(N)=NC=C1C(=O)O BBL011823 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.166 NC(=O)C1=C(Cl)C=C(N)C=C1 BBL031240 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N BBL022498 [0,2,0,0,0,0|2,0,0]=4 210 B11R1.166 NC1=C(C(=O)O)C=NC(S)=N1 BBL028755 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.166 NC1=NC(Cl)=CC=C1[N+](=O)[O-] BBL009970 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 BBL011914 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 BBL011673 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl BBL010102 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.166 O=C(O)C1=CN=C(O)N=C1O BBL012114 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [0,2,0,0,0,0|1,0,0]=3 218 B11R1.16 CCOC(=O)C1=CC=NC=C1 BBL013187 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.16 CCOC(=O)C1=NC=CC=C1 BBL036381 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.16 O=C(C[Hg]Cl)C1=CC=CC=C1 BBL036091 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 BBL008738 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BBL011448 [0,2,0,0,0,0|1,0,0]=3 223 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 BBL012111 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 BBL031581 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 BBL031580 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 BBL029467 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 BBL028292 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 BBL003554 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 BBL037273 [0,2,0,0,0,0|2,0,0]=4 230 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BBL008111 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 BBL022908 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [0,2,0,0,0,0|1,0,0]=3 234 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [0,2,0,0,0,0|1,0,0]=3 235 B11R1.222 COC(=O)C1=NC=CN=C1N BBL027773 [0,2,0,0,0,0|1,0,0]=3 236 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BBL023001 [0,2,0,0,0,0|1,0,1]=4 237 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 BBL008389 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BBL008412 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BBL008416 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.222 NNC(=O)C1=CC=CC=C1Cl BBL008395 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.222 NNC(=O)C1=CC=CC=C1I BBL014372 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.53 CNC1=NC=CC=C1C(=O)O BBL028242 [0,2,0,0,0,0|1,0,0]=3 243 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BBL036896 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.53 COC1=NC=CC=C1C(=O)O BBL011167 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.53 NNC1=CC=CC=C1C(=O)O BBL019027 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 BBL018811 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.53 O=CC1=CC=CC=C1C(=O)O BBL013693 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl BBL027304 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1F BBL027303 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl BBL025943 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.156 O=C(O)C1=C(O)C=CC=C1O BBL011022 [0,2,0,0,0,0|2,0,0]=4 252 B11R1.159 CC1=C(C(N)=O)C=CC=C1N BBL025748 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BBL023681 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 BBL018907 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.159 O=C(O)C1=CC=CC(F)=C1F BBL027777 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BBL028124 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBL027378 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BBL028200 [0,2,0,0,0,0|1,0,0]=3 259 B11R1.167 CC1=CC=C(O)C(C(=O)O)=C1 BBL027383 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.167 NC(=O)C1=C(Cl)C=CC(N)=C1 BBL011780 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.167 NC(=O)C1=C(F)C=CC(N)=C1 BBL023456 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Cl BBL032339 [0,2,0,0,0,0|1,0,0]=3 263 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1N BBL018898 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 BBL027665 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 BBL027662 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 BBL028158 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.167 NC1=CC=C(F)C=C1C(=O)O BBL010568 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.167 NC1=CC=C(I)C=C1C(=O)O BBL027663 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 BBL013046 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O BBL007983 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O BBL009282 [0,2,0,0,0,0|1,0,0]=3 272 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F BBL100255 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.167 O=C(O)C1=CC(I)=CC=C1I BBL035879 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.167 O=C(O)C1=CC(O)=CC=C1O BBL013232 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 BBL011969 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 BBL019762 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BBL010150 [0,2,0,0,0,0|2,0,0]=4 278 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 BBL104328 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.13 CC(=O)CN1C=CC=N1 BBL040015 [0,0,1,1,0,0|1,0,1]=4 280 B9R1.13 CC(=O)NC1=CC=NN1 BBL011213 [0,0,1,1,0,0|2,0,0]=4 281 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [0,0,0,1,0,1|2,0,0]=4 282 B11R2.10 O=C1NC2=C(N=CC=C2)N1 BBL028669 [0,0,0,1,0,1|1,0,0]=3 283 B11R2.1 NC1=NNC2=NC=CC=C12 BBL012473 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.1 CCC1=NC=CN1 BBL027503 [1,0,0,0,1,0|1,0,1]=4 285 B7R1.1 CCN1C=CC=N1 BBL038143 [1,0,0,0,1,0|1,0,1]=4 286 B7R1.1 COC1=NC=CS1 BBL037422 [1,0,0,0,1,0|2,0,0]=4 287 B7R1.1 O=CC1=CN=CN1 BBL029981 [1,0,0,0,1,0|1,0,0]=3 288 B7R1.1 O=CC1=CNN=C1 BBL038290 [1,0,0,0,1,0|1,0,0]=3 289 B7R1.1 O=CC1=CSC=C1 BBL012656 [1,0,0,0,1,0|1,0,0]=3 290 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,0,0,0,2|1,0,0]=3 291 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [0,0,0,0,0,2|2,0,0]=4 292 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,0,0,0,0,2|2,0,0]=4 293 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [0,0,0,0,0,2|2,0,0]=4 294 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,0,0,0,0,2|2,0,0]=4 295 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,0,0,0,0,2|2,0,0]=4 296 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,0,0,0,0,2|2,0,0]=4 297 B11R1.91 O=C(O)COC1=CN=CC=C1 BBL009657 [0,0,0,0,0,2|1,0,0]=3 298 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,0,0,0,0,2|2,0,0]=4 299 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [0,0,0,0,0,2|2,0,0]=4