0 B8R1.1 C#CC1=CC=C(F)S1 B052545 [0,0,0,0,0,0|2,1,1]=4 1 B8R1.1 C#CC1=NN(C)C=C1 B050922 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [0,0,0,0,0,0|1,1,0]=2 3 B8R1.1 CC1=CC=C(C=O)S1 B015983 [0,0,0,0,0,0|0,1,0]=1 4 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,0,0,0,0,0|1,1,1]=3 5 B8R1.1 CC1=CSC(CCl)=N1 B059707 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.1 CC1=CSC(CN)=N1 B030505 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CC1=NN=C(CCl)O1 B039499 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CC1=NNC(C=O)=C1 B014001 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 CCN1C=CC(C)=N1 B006751 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.1 CN1C=C(C=O)C=N1 B000400 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 CN1C=CC(C#N)=N1 B019526 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CN1C=CC(C=O)=N1 B007390 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.1 CN1C=CC(CCl)=N1 B047328 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CN1C=CC(CN)=N1 B007402 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CN1C=CC(CN)=N1 B016053 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 CN1C=CC(CO)=N1 B047329 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.1 FC1=CC=C(CBr)S1 B058943 [0,0,0,0,0,0|2,1,1]=4 18 B8R1.1 FC1=CC=C(CCl)S1 B052448 [0,0,0,0,0,0|2,1,1]=4 19 B8R1.1 N#CC1=CC=C(Br)O1 B048731 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.1 N#CC1=CC=C(F)S1 B051306 [0,0,0,0,0,0|2,1,1]=4 21 B8R1.1 NCC1=CC=C(F)S1 B052432 [0,0,0,0,0,0|2,1,1]=4 22 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [0,0,0,0,0,0|1,1,0]=2 23 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [0,0,0,0,0,0|2,1,0]=3 24 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.1 OCC1=CC=C(F)S1 B046290 [0,0,0,0,0,0|1,1,2]=4 26 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 ClCC1=CC=NO1 B049837 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.1 O=CC1=CNN=C1 B015969 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 O=CC1=CNN=C1 B039241 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,0,0,0|1,1,0]=3 31 B7R1.2 CC1=NN(C)C=C1 B006757 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 CC1=NN=C(N)O1 B036399 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 CN1C=CC(Br)=N1 B047103 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.2 CN1C=CC(I)=N1 B050971 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.2 CN1C=CC(N)=N1 B014443 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.2 FC1=CC=C(Br)S1 B052433 [1,0,0,0,0,0|2,1,0]=4 37 B7R1.2 FC1=CC=C(I)S1 B052477 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.7 CNCC1=CC=C(C)S1 B059730 [0,1,0,0,0,0|1,1,1]=4 39 B9R1.7 O\N=C\C1=CC=C(F)S1 B046225 [0,1,0,0,0,0|1,1,1]=4 40 B9R1.21 C(=O)C1=CC(CC)=NO1 B046284 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [0,1,0,0,0,0|0,1,0]=2 42 B9R1.21 CCN1C=C(C=O)C=N1 B000402 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.21 CCN1C=CC(C=O)=N1 B007396 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.21 COC1=NC=C(C=O)S1 B059779 [0,1,0,0,0,0|1,1,0]=3 45 B9R1.22 CC1=CC(C=O)=C(C)S1 B018517 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.22 CC1=CN(C)C(C=O)=N1 B047108 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.22 CC1=CN(C)N=C1C=O B047533 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.22 CC1=NN(C)C(C=O)=C1 B015985 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.22 CC1=NN(C)C=C1C=O B000370 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.22 CN1C=C(Br)C(C=O)=N1 B007392 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.22 CN1C=C(C=O)C(Br)=N1 B059872 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.22 CN1C=C(C=O)C(I)=N1 B059893 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.22 CN1C=C(Cl)C(C=O)=N1 B007391 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.22 CN1C=C(I)C(C=O)=N1 B060739 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.23 CC1=C(Br)C=C(C=O)S1 B003571 [0,1,0,0,0,0|0,1,0]=2 56 B9R1.23 CC1=CC(C=O)=NN1C B015981 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.23 O=CC1=CC(Br)=C(Br)S1 B006821 [0,1,0,0,0,0|1,1,0]=3 58 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,1,0,0,0,0|1,1,0]=3 60 B9R1.35 CC(=O)C1=CN(C)N=C1 B007418 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.35 CN1C=C(C(=O)Cl)C=N1 B011574 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.35 CN1C=CC([N+](=O)[O-])=N1 B006765 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,1,0,0,0,0|1,1,0]=3 75 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,1,0,0,0,0|1,1,0]=3 76 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,1,0,0,0,0|1,1,0]=3 78 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 B047233 [0,1,0,0,0,0|2,1,0]=4 79 B9R1.132 C(=O)C1=C(F)N(C)N=C1 B052499 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.132 CC1=C(C=O)C=NN1C B000392 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.132 CC1=CC=C(CN)N1C B049048 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.132 CC1=CN=C(C=O)N1C B047107 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.132 CN1N=CC(C=O)=C1Br B059882 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 CC1=NC=CC(CN)=N1 B059729 [0,0,0,0,0,1|2,0,1]=4 85 B6R1.2 CC1=NNC=C1 B022230 [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 CN1C=CC=N1 B006761 [2,0,0,0,0,0|2,0,0]=4 87 B6R1.2 FC1=CC=CS1 B039753 [2,0,0,0,0,0|1,1,0]=4 88 B8R1.7 NC(=O)C1=NNC=C1 B039302 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.7 O=C(O)C1=CC=NS1 B049203 [1,1,0,0,0,0|1,1,0]=4 90 B8R1.7 O=C(O)C1=NNC=C1 B000140 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.8 NCCC1=CC=CO1 B029933 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.8 NCCC1=CC=CO1 B049455 [1,1,0,0,0,0|1,0,1]=4 93 B8R1.11 C(=O)C1=C(C)C=NN1 B039268 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.11 CN1C=CN=C1C=O B038490 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.11 CN1N=CC=C1C=O B007393 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.11 O=CC1=C(Cl)C=NN1 B039275 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.14 CN1C=CC(C(=O)NN)=N1 B001439 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.14 CNC(=O)C1=NN(C)C=C1 B047117 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,2,0,0,0,0|1,1,0]=4 101 B10R1.14 COC(=O)C1=NN(C)C=C1 B016223 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.14 NNC(=O)C1=CC=C(F)S1 B052501 [0,2,0,0,0,0|1,1,0]=4 103 B10R1.16 CCNCC1=CC=C(C)O1 B059777 [0,2,0,0,0,0|1,0,1]=4 104 B10R1.54 CC(=O)CN1C=CC(C)=N1 B020842 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.54 CC1=NN(CC(=O)Cl)C=C1 B022846 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.54 CC1=NN(CC(=O)O)C=C1 B006507 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.54 CN1C=CC(CC(=O)O)=N1 B043667 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [0,2,0,0,0,0|1,1,0]=4 109 B10R1.96 C(=O)C1=NN(CCF)C=C1 B061605 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.96 CCCC1=CC=C(C=O)S1 B030362 [0,2,0,0,0,0|0,1,0]=3 111 B10R1.96 CCCN1C=CC(C=O)=N1 B021215 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.96 CCOC1=NC=C(C=O)S1 B059783 [0,2,0,0,0,0|1,1,0]=4 113 B10R1.96 COCC1=CC=C(C=O)O1 B001201 [0,2,0,0,0,0|0,0,0]=2 114 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.31 CC(C)N1C=CC(C=O)=N1 B047534 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,2,0,0,0,0|0,1,0]=3 117 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,2,0,0,0,0|0,1,0]=3 118 B10R1.31 CCN1C=CC(C(=O)Cl)=N1 B011494 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.31 CCN1C=CC(C(=O)O)=N1 B000137 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.31 CCN1C=CC(C(C)=O)=N1 B017803 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.31 CCN1C=CC(C(N)=O)=N1 B020712 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [0,2,0,0,0,0|1,1,0]=4 123 B10R1.31 COC1=NC=C(C(=O)[O-])S1 B061073 [0,2,0,0,0,0|1,1,0]=4 124 B10R1.31 NC(=O)C1=NN(CO)C=C1 B062428 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.31 O=C(O)C1=NN(CO)C=C1 B020581 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.31 O=CC1=NN(C(F)F)C=C1 B008998 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.35 CCC1=C(Br)C=C(C=O)S1 B003569 [0,2,0,0,0,0|0,1,0]=3 128 B10R1.35 CCN1C=C(Br)C(C=O)=N1 B007398 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.35 CCN1C=C(Cl)C(C=O)=N1 B007397 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.35 CCN1C=C(I)C(C=O)=N1 B060740 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.32 C(=O)C1=NC(C)=CN1CC B051986 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.59 CC(=O)C1=NN(C)C=C1Cl B017914 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.59 CC(=O)C1=NN(C)C=C1I B047752 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.59 CC1=NC(C(N)=O)=C(N)N1 B049430 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.59 CN1C=C(Br)C(C(=O)Cl)=N1 B006620 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 B000146 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.59 CN1C=C(Cl)C(C(=O)Cl)=N1 B011500 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 B000147 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.59 CN1C=C(Cl)C(C(N)=O)=N1 B051294 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 B000136 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.59 CN1C=C(I)C(C(N)=O)=N1 B047763 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 B016041 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.59 CN1C=C(N)C(C(N)=O)=N1 B014413 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.58 CC(=O)C1=NN(C)C(C)=C1 B059391 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,2,0,0,0,0|0,1,0]=3 146 B10R1.58 CC1=CC(C(=O)O)=NN1C B035940 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.58 CC1=CC(C(N)=O)=NN1C B046398 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.58 CN1N=C(C(=O)O)C=C1N B037986 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.58 CN1N=C(C(N)=O)C=C1N B051239 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,2,0,0,0,0|1,1,0]=4 151 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.194 CC1=CC=C(C(N)=S)N1C B029610 [0,2,0,0,0,0|1,1,0]=4 153 B10R1.257 C(=O)C1=NC=C(C)N1CC B051985 [0,2,0,0,0,0|2,0,0]=4