0 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [0,0,0,0,0,0|1,1,0]=2 6 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.61 NC1=C(C(=O)O)C=NC=N1 BBL028016 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.61 O=C(O)C1=CC=CN=C1S BBL005413 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.61 O=C(O)C1=CC=CNC1=O BBL009636 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 BBL011066 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O BBL011064 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 CC(=O)C1=NC=CN=C1 BBL037027 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 N=C(N)C1=CN=CC=N1 BBL004495 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBL012560 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.15 NC1=CC=CC=C1CO BBL027657 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.15 NC1=NC=CC=C1C=O BBL012800 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.15 NNC1=C(F)C=CC=C1 BBL027973 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.15 NNC1=CC=CC=C1Br BBL012157 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.15 NNC1=CC=CC=C1I BBL022200 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.15 O=CC1=CC=CN=C1Cl BBL011559 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.53 CNC1=NC=CC=C1C(=O)O BBL028242 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BBL036896 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] BBL009976 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.53 COC1=NC=CC=C1C(=O)O BBL011167 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.53 NNC1=CC=CC=C1C(=O)O BBL019027 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 BBL018811 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.53 O=CC1=CC=CC=C1C(=O)O BBL013693 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] BBL023492 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.87 CC1=CC=CC=C1S(=O)(=O)Cl BBL013805 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 BBL013801 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1Cl BBL013789 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl BBL027304 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1F BBL027303 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl BBL025943 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.156 O=C(O)C1=C(O)C=CC=C1O BBL011022 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.159 CC1=C(C(N)=O)C=CC=C1N BBL025748 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BBL023681 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.159 NC1=C(C)C=CC=C1[N+](=O)[O-] BBL025834 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 BBL018907 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.159 O=C(O)C1=CC=CC(F)=C1F BBL027777 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1F BBL030207 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBL012128 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl BBL027300 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BBL028202 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 BBL017839 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 BBL011500 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BBL028630 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 BBL011604 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 BBL028336 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.166 NC(=O)C1=C(Cl)C=C(N)C=C1 BBL031240 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N BBL022498 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 BBL011673 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl BBL010102 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.166 O=C(O)C1=CN=C(O)N=C1O BBL012114 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(O)C=C1 BBL104262 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.166 O=[N+]([O-])C1=CC=C(F)C=C1O BBL011551 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BBL028124 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBL027378 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BBL028200 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.167 CC1=CC=C(O)C(C(=O)O)=C1 BBL027383 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.167 NC(=O)C1=C(Cl)C=CC(N)=C1 BBL011780 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.167 NC(=O)C1=C(F)C=CC(N)=C1 BBL023456 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Cl BBL032339 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1N BBL018898 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 BBL027665 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 BBL027662 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 BBL028158 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.167 NC1=CC=C(F)C=C1C(=O)O BBL010568 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.167 NC1=CC=C(I)C=C1C(=O)O BBL027663 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 BBL013046 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O BBL007983 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O BBL009282 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F BBL100255 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.167 O=C(O)C1=CC(I)=CC=C1I BBL035879 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.167 O=C(O)C1=CC(O)=CC=C1O BBL013232 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CC=C1F BBL011053 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BBL008111 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 BBL022908 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BBL023001 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 BBL008389 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BBL008412 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BBL008416 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.222 NNC(=O)C1=CC=CC=C1Cl BBL008395 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.222 NNC(=O)C1=CC=CC=C1I BBL014372 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.222 N\C(=N/O)C1=C(Cl)C=CC=C1 BBL005511 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.222 N\C(=N\O)C1=CC=CC=C1F BBL005589 [0,1,0,0,0,0|1,0,1]=3 104 B11R2.1 ClC1=NSC2=C1C=CC=C2 BBL010761 [0,0,0,1,0,0|1,1,1]=4 105 B11R2.1 NC1=NNC2=NC=CC=C12 BBL012473 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.41 NC(=O)C1=C(N)SC=C1 BBL013529 [0,0,0,0,1,0|2,0,0]=3 107 B9R1.41 NC(=O)C1=CNN=C1N BBL010022 [0,0,0,0,1,0|3,0,0]=4 108 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,0,0,0,0,1|2,0,0]=3 109 B11R1.86 CC1=CC=CC=C1NC(N)=S BBL027968 [0,0,0,0,0,1|1,1,0]=3 110 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,0,0,0,0,1|0,0,0]=1 111 B11R1.86 NC(=S)NC1=CC=CC=C1O BBL008029 [0,0,0,0,0,1|0,1,0]=2 112 B11R1.86 O=C(O)CN1C=CC=CC1=O BBL010063 [0,0,0,0,0,1|2,0,1]=4 113 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|1,0,1]=4 116 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|1,0,0]=3 117 B8R1.2 NNC1=NC=CC=C1 BBL027570 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [2,0,0,0,0,0|1,0,0]=3 119 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [2,0,0,0,0,0|1,0,0]=3 120 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|0,0,2]=4 121 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|0,0,2]=4 122 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [2,0,0,0,0,0|1,0,0]=3 123 B8R1.5 NC1=C(N)C=NC=C1 BBL013269 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [2,0,0,0,0,0|1,0,0]=3 125 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [2,0,0,0,0,0|1,0,0]=3 126 B8R1.5 NC1=CC=CN=C1N BBL011063 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [2,0,0,0,0,0|1,0,1]=4 128 B8R1.5 OC1=CC=CN=C1Br BBL013305 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.13 CC1=CC=C(C(N)=O)C=N1 BBL100086 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [1,1,0,0,0,0|0,0,0]=2 137 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [1,1,0,0,0,0|0,1,0]=3 138 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BBL018585 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BBL011385 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BBL001444 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BBL009090 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BBL013182 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BBL027638 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [1,1,0,0,0,0|0,0,0]=2 148 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [1,1,0,0,0,0|0,0,0]=2 149 B10R1.15 NNC(=O)C1=CC=NC=C1 BBL008409 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.15 NNC(=O)C1=CN=CC=C1 BBL003565 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.15 NNC(=O)C1=NC=CC=C1 BBL003530 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BBL005528 [1,1,0,0,0,0|0,0,1]=3 153 B10R1.15 N\C(=N/O)C1=CC=NC=C1 BBL005294 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.15 N\C(=N/O)C1=CN=CC=C1 BBL005295 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BBL005610 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.113 CC(N)C1=CC(O)=CC=C1 BBL023566 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 BBL017910 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.113 CC1=CC=CC(C(=O)O)=N1 BBL023748 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 BBL028416 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [1,1,0,0,0,0|0,0,0]=2 162 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BBL028889 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BBL011806 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BBL037339 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BBL009435 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 BBL025793 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.113 O=C(O)C1=CC(O)=CC=C1 BBL011983 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BBL010930 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 BBL012227 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BBL010816 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.2 NNC1=CC=CC(Cl)=C1Cl BBL022193 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.2 O=CC1=C(O)C(O)=CC=C1 BBL000528 [1,1,0,0,0,0|0,0,0]=2 173 B10R1.2 O=CC1=CC=CC(Cl)=C1F BBL036949 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.4 O=C=NC1=CC=CC=C1Br BBL037642 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BBL013317 [1,1,0,0,0,0|0,0,1]=3 177 B10R1.20 COC1=CC=CC=C1CN BBL027680 [1,1,0,0,0,0|0,0,1]=3 178 B10R1.20 COC1=CC=CC=C1NN BBL022185 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.20 CSC1=CC=CC=C1NN BBL020781 [1,1,0,0,0,0|1,1,0]=4 180 B10R1.20 O=CC1=CC=CC=C1C=O BBL027435 [1,1,0,0,0,0|0,0,1]=3 181 B10R1.20 [NH3+]NC1=C(OC)C=CC=C1 BBL002895 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.25 CC1=CC(C)=C(NN)C=C1 BBL020466 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.25 NCC1=CC=C(F)C=C1Cl BBL037739 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.25 NNC1=CC=C(Br)C=C1F BBL012160 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.25 NNC1=CC=C(Cl)C=C1F BBL011332 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.25 NNC1=CC=C(F)C=C1F BBL012158 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 BBL028278 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.25 O=CC1=CC=C(Br)C=C1F BBL011909 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.25 O=CC1=CC=C(O)C=C1O BBL012171 [1,1,0,0,0,0|0,0,0]=2 190 B10R1.30 CC1=CC=C(Cl)C=C1NN BBL022189 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.30 NNC1=CC(F)=CC=C1Cl BBL011333 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 BBL104269 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 BBL013072 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 BBL029881 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.245 CC1=CC=CC(C)=C1NN BBL022194 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl BBL023680 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 BBL025808 [0,1,0,0,1,0|2,0,0]=4 198 B10R1.149 CC1=C(C(=O)NN)C=CO1 BBL008410 [0,1,0,0,1,0|2,0,0]=4 199 B10R1.149 CC1=C(C(=O)NN)SC=C1 BBL016100 [0,1,0,0,1,0|2,0,0]=4 200 B10R1.149 COC(=O)C1=C(O)C=CS1 BBL040724 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.75 COC1=CC=CC=C1CC(C)=O BBL027726 [0,1,0,0,0,1|1,0,0]=3 202 B12R1.124 CC1=C(C(N)C(=O)O)C=CC=C1 BBL022169 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BBL022164 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.124 NC(C(=O)O)C1=C(F)C=CC=C1 BBL022165 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.127 CC(=O)NC1=C(Cl)C=CC(N)=C1 BBL031068 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.127 CC(=O)NC1=CC(N)=CC=C1C BBL023483 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BBL032135 [0,1,0,0,0,1|1,0,0]=3 208 B12R1.127 CC1=C(NC(N)=S)C=C(Cl)C=C1 BBL036238 [0,1,0,0,0,1|1,1,0]=4 209 B12R1.127 CC1=CC=C(C)C(NC(N)=S)=C1 BBL023093 [0,1,0,0,0,1|1,1,0]=4 210 B12R1.127 CC1=CC=C(Cl)C(CC(=O)O)=C1 BBL020349 [0,1,0,0,0,1|2,0,0]=4 211 B12R1.127 NC(=S)NC1=CC(Cl)=CC=C1Cl BBL023429 [0,1,0,0,0,1|1,1,0]=4 212 B12R1.127 NC(=S)NC1=CC(Cl)=CC=C1O BBL023773 [0,1,0,0,0,1|0,1,0]=3 213 B12R1.224 CC1=C(Cl)C=CC=C1NC(N)=O BBL004957 [0,1,0,0,0,1|1,0,0]=3 214 B12R1.224 CC1=C(NC(N)=S)C=CC=C1Cl BBL035770 [0,1,0,0,0,1|1,1,0]=4 215 B12R1.224 NC(=S)NC1=C(Cl)C(Cl)=CC=C1 BBL002710 [0,1,0,0,0,1|1,1,0]=4 216 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N BBL002359 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.233 CC(=O)NC1=CC=C(N)C=C1Cl BBL034240 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 BBL002053 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.233 CC1=CC(C)=C(NC(N)=S)C=C1 BBL023094 [0,1,0,0,0,1|1,1,0]=4 220 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl BBL011217 [0,1,0,0,0,1|1,0,0]=3 221 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,1,0,0,0,1|1,0,0]=3 222 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br BBL013421 [0,1,0,0,0,1|2,0,0]=4 223 B12R1.371 O=C(CCl)NC1=CC=CC=C1I BBL029683 [0,1,0,0,0,1|2,0,0]=4 224 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 BBL023200 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.46 COC1=CC=C(N)C=C1[N+](=O)[O-] BBL002666 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.77 CNC1=CC=CC=C1C(=O)OC BBL027832 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.77 COC(=O)C1=CC=CC=C1OC BBL010503 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 BBL005595 [0,2,0,0,0,0|0,0,1]=3 229 B12R1.87 COC1=C(C(=O)Cl)C=CC=C1C BBL012044 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.87 COC1=C(C(=O)O)C=CC=C1C BBL002640 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.261 NC(=O)C1=C(C(N)=O)C=CC=C1 BBL011578 [0,2,0,0,0,0|0,0,1]=3 232 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 BBL010076 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O BBL007601 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.261 O=C([O-])C1=C(C(=O)[O-])C=CC=C1 BBL002898 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 BBL017843 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.283 CCOC1=NC=CC=C1C(=O)O BBL000650 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 BBL000357 [0,2,0,0,0,0|1,1,0]=4 238 B12R1.283 O=CNC1=C(C(=O)O)C=CC=C1 BBL023279 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 BBL034714 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.24 CC1=C(O)C(C(=O)NN)=CC=C1 BBL016688 [0,2,0,0,0,0|0,0,0]=2 241 B12R1.24 NNC(=O)C1=C(Cl)C(Cl)=CC=C1 BBL016661 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.440 COC1=CC=CC(C(=O)O)=C1O BBL027382 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.440 O=CC1=C(O)C([N+](=O)[O-])=CC=C1 BBL023464 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.511 CC(=O)C1=CC(Cl)=CC(Cl)=C1O BBL027817 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1O BBL035884 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1O BBL025784 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.511 CC1=CC(N)=CC(C(=O)O)=C1O BBL018961 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.511 NC(=O)C1=C(Cl)C(Br)=CC(Br)=C1 BBL009492 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.511 NC1=C(Br)C=C(Br)C=C1C(=O)O BBL018502 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.511 NC1=C(Cl)C=C(Cl)C=C1C(=O)O BBL009789 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.511 NC1=C(I)C=C(I)C=C1C(=O)O BBL023538 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Cl)=C1 BBL025712 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.511 O=C(O)C1=CC(Br)=CC(Br)=C1Cl BBL023216 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.511 O=C(O)C1=CC(Cl)=CC(Cl)=C1Br BBL009479 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.511 O=C(O)C1=CC(Cl)=CC(I)=C1O BBL028813 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.511 O=C(O)C1=CC(I)=CC(I)=C1I BBL014157 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.893 CC(=O)C1=CC=C(Cl)C(Cl)=C1Cl BBL011536 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.893 CC(=O)C1=CC=C(O)C(O)=C1O BBL027373 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.893 CC1=C(C)C(O)=C(C(=O)O)C=C1 BBL023509 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.893 O=C(Cl)C1=CC=C(F)C(F)=C1F BBL028148 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.893 O=C(O)C1=C(F)C(F)=C(F)C=C1 BBL011834 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.232 CC1=C(Br)C=C(C(N)=O)C(=O)N1 BBL035215 [0,2,0,0,0,0|1,0,1]=4 263 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1C BBL018906 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.232 CC1=CC(O)=C([N+](=O)[O-])C=C1C BBL022755 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 BBL008105 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 BBL011052 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 BBL012127 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 BBL034248 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 BBL011783 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 BBL036382 [0,2,0,0,0,0|1,0,0]=3 271 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 BBL022915 [0,2,0,0,0,0|1,0,0]=3 272 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O BBL017863 [0,2,0,0,0,0|0,0,0]=2 273 B12R1.1703 NNC(=O)C1=CC=C(O)C=C1O BBL015199 [0,2,0,0,0,0|0,0,0]=2 274 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O BBL011800 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C BBL036405 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.354 CNC(=O)C1=C(Cl)C=CC(N)=C1 BBL011781 [0,2,0,0,0,0|1,0,0]=3 277 B12R1.354 CNC(=O)C1=CC(Br)=CN=C1Cl BBL032338 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.354 CNC(=O)C1=CC(N)=CC=C1F BBL031627 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 BBL013231 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.354 COC(=O)C1=CC(Br)=CC=C1N BBL019638 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O BBL100200 [0,2,0,0,0,0|1,0,0]=3 282 B12R1.354 NNC(=O)C1=C(Cl)C=CC(Br)=C1 BBL016625 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 BBL013909 [0,2,0,0,0,0|0,0,0]=2 284 B12R1.354 NNC(=O)C1=C(O)C=CC(Cl)=C1 BBL015495 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O BBL016326 [0,2,0,0,0,0|0,0,0]=2 286 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBL011791 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.453 COC1=CC=C(O)C(C(=O)O)=C1 BBL012998 [0,2,0,0,0,0|1,0,0]=3 288 B12R1.453 NNC1=CC=C(Cl)C(C(=O)O)=C1 BBL025718 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.453 O=CC1=CC=C(O)C([N+](=O)[O-])=C1 BBL023246 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.308 CCNC(=O)C1=C(Cl)N=CC=C1 BBL014125 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.308 CCOC(=O)C1=CC=CC=C1N BBL027654 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.66 O=C(Cl)\C=C\C1=CC=CO1 BBL037199 [0,0,1,1,0,0|1,0,0]=3 293 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBL023478 [0,0,1,1,0,0|1,0,0]=3 294 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBL037013 [0,0,1,1,0,0|1,1,0]=4 295 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,1,0,0|2,0,0]=4 296 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,0,1|2,0,0]=4 297 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 BBL036206 [0,0,0,1,0,1|1,1,0]=4 298 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 BBL013044 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBL027352 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.1081 O=C1NN=CC2=CC=CC=C12 BBL023000 [0,1,0,1,0,0|1,0,0]=3 301 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 BBL037023 [0,1,0,1,0,0|0,0,1]=3 302 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 BBL030378 [0,1,0,1,0,0|1,0,0]=3 303 B12R2.203 NC1=NNC2=C1C(F)=CC=C2 BBL028223 [0,1,0,1,0,0|2,0,0]=4 304 B12R2.612 NC1=NNC2=CC(Br)=CC=C21 BBL030369 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.612 O=C1COC2=CC(O)=CC=C12 BBL028131 [0,1,0,1,0,0|1,0,0]=3 306 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBL010068 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [1,0,0,0,1,0|2,0,0]=4 308 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [1,0,0,0,1,0|2,0,0]=4 309 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [1,0,0,0,1,0|2,0,0]=4 310 B8R1.7 O=C(O)C1=COC=C1 BBL025800 [1,0,0,0,1,0|2,0,0]=4 311 B8R1.11 CN1C=CC=C1C=O BBL001423 [1,0,0,0,1,0|2,0,0]=4 312 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 BBL038113 [0,0,0,0,0,2|2,0,0]=4 313 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBL023122 [0,0,0,0,0,2|2,0,0]=4 314 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BBL014862 [0,0,0,0,0,2|2,0,0]=4 315 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BBL015052 [0,0,0,0,0,2|2,0,0]=4 316 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [0,0,0,0,0,2|2,0,0]=4 317 B12R1.125 NC(=S)NCC1=C(Cl)C=CC=C1 BBL031879 [0,0,0,0,0,2|1,1,0]=4 318 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BBL014866 [0,0,0,0,0,2|2,0,0]=4 319 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br BBL014872 [0,0,0,0,0,2|2,0,0]=4 320 B12R1.125 O=C(Cl)COC1=CC=CC=C1F BBL014493 [0,0,0,0,0,2|2,0,0]=4 321 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BBL015050 [0,0,0,0,0,2|2,0,0]=4 322 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BBL015047 [0,0,0,0,0,2|2,0,0]=4 323 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,0,0,0,0,2|2,0,0]=4 324 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,0,0,0,0,2|2,0,0]=4 325 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BBL027394 [0,0,0,0,0,2|2,0,0]=4 326 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [0,0,0,0,0,2|2,0,0]=4 327 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBL012541 [0,0,0,0,0,2|2,0,0]=4 328 B12R1.125 O=C(O)COC1=CC=CC=C1F BBL013906 [0,0,0,0,0,2|2,0,0]=4 329 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [0,0,0,0,0,2|2,0,0]=4 330 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [0,0,0,0,0,2|2,0,0]=4 331 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [0,0,0,0,0,2|1,0,0]=3 332 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [0,0,0,0,0,2|2,0,0]=4