0 B9R1.35 CC(=O)C1=CC=C(C)O1 BB55-2250 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC=C(C)S1 BB17-2349 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC1=CC(C(=O)Cl)=NO1 BB55-5177 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 CC1=CC(C(=O)O)=NN1 BB01-2577 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 CC1=CC(C(=O)O)=NO1 BB01-4962 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 CC1=CC(C(=O)O)=NO1 BB05-1141 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 CC1=CC=C(C(=O)Cl)O1 BB58-1944 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BB20-1586 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC1=CC=C(C(=O)O)O1 BB58-0337 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC1=CC=C(C(=O)O)S1 BB55-0510 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC1=NC([N+](=O)[O-])=CN1 BB01-4039 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 CC1=NNC(C(=O)O)=C1 BB01-2833 [0,0,0,0,0,0|0,0,2]=2 12 B9R1.35 CN1C=C(C(=O)O)C=N1 BB05-0076 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 CN1C=CC(C(=O)O)=N1 BB05-0012 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 NC(=O)C1=NNC(N)=N1 BB58-3938 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 NC1=NC(C(=O)O)=NN1 BB01-1101 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 O=C(O)C1=CC=C(Br)S1 BB55-0508 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BB55-0509 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CC1=CC(CO)=NO1 BB05-4135 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.1 CC1=CC=C(C=O)S1 BB17-2278 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 NC1=NC(CO)=NN1 BB52-7630 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 O=CC1=CC(Br)=CS1 BB17-2286 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 CC(=O)C1=CSC=C1 BB57-0215 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 NC(=O)C1=CC=CS1 BB01-2734 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 O=C(O)C1=CNC=N1 BB57-6654 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 O=C(O)C1=COC=C1 BB57-0214 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 O=C(O)C1=CSC=C1 BB53-1742 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 O=C(O)C1=CSC=N1 BB01-8351 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 O=C(O)C1=CSN=N1 BB58-0324 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.7 O=C(O)C1=NNC=C1 BB53-1765 [1,0,0,0,0,0|0,0,0]=1 30 B10R1.14 COC(=O)C1=CC=C(C)O1 BB58-0346 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.14 COC(=O)C1=CC=C(C)S1 BB57-2096 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.14 COC(=O)C1=NN(C)C=N1 BB58-4982 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.14 COC(=O)C1=NOC(C)=C1 BB20-2295 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.58 CC1=CC(C(=O)Cl)=NN1C BB58-4409 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.58 CC1=CC(C(=O)O)=NN1C BB01-4961 [0,1,0,0,0,0|0,0,0]=1 36 B10R1.58 CN1N=C(C(N)=O)N=C1Cl BB58-4470 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 BB05-1235 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 BB55-5574 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BB01-3751 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 BB17-1094 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BB58-5434 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 BB01-3661 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 BB58-4410 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.28 NC(=O)N\N=C\C(=O)O BB01-6284 [0,0,1,0,0,0|2,0,0]=3 45 B10R1.13 CC(=O)C1=CC=C(Br)C=N1 BB01-8350 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.13 CC1=CC=C(C(=O)O)C=N1 BB01-0985 [0,0,0,0,0,1|1,0,1]=3 47 B10R1.13 CC1=CN=C(C(=O)O)C=N1 BB01-8333 [0,0,0,0,0,1|1,0,0]=2 48 B10R1.13 NC1=CN=C(C(=O)O)C=C1 BB20-3104 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 BB01-6056 [0,0,0,0,0,1|2,0,1]=4 50 B10R1.13 O=C(O)C1=CN=C(O)C=C1 BB01-5933 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.54 CC1=NC(CC(=O)O)=CS1 BB01-3647 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.54 O=C(O)CN1C=C(Br)C=N1 BB55-3059 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 BB55-3419 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 BB17-0501 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB17-0500 [0,0,0,0,0,1|2,0,0]=3 56 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB01-8309 [0,0,0,0,0,1|2,0,1]=4 57 B10R1.113 O=C(O)C1=CC(O)=NC=C1 BB01-7894 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 BB57-2098 [0,0,0,0,0,1|2,0,0]=3 59 B7R1.1 ClCC1=NNC=C1 BB20-2557 [2,0,0,0,0,0|1,0,1]=4 60 B7R1.1 O=CC1=CSC=C1 BB01-6172 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.1 OCC1=NNC=C1 BB20-2556 [2,0,0,0,0,0|0,0,1]=3 62 B7R1.2 CC1=CC(N)=NN1 BB01-3644 [2,0,0,0,0,0|1,0,0]=3 63 B7R1.2 CC1=CC(N)=NO1 BB01-6423 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.2 CC1=CC(O)=NO1 BB57-3975 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.22 CC1=NN(C)C(C=O)=C1 BB57-3046 [1,1,0,0,0,0|0,0,2]=4 66 B9R1.23 CC1=CC(CO)=NN1C BB20-2297 [1,1,0,0,0,0|0,0,1]=3 67 B9R1.11 CNC(=O)C1=NNC=C1 BB05-4951 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.11 COC(=O)C1=CC=NN1 BB05-1598 [1,1,0,0,0,0|0,0,2]=4 69 B9R1.41 CC1=C(C(=O)O)C=CO1 BB57-4813 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.41 CC1=C(C(=O)O)SC=C1 BB01-0916 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.41 CC1=NNC=C1C(=O)O BB01-5991 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.41 CN1C=CC=C1C(=O)O BB01-1072 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.41 CN1C=CN=C1C(=O)O BB57-7197 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.41 CN1N=CC=C1C(=O)O BB01-4745 [1,1,0,0,0,0|0,0,2]=4 75 B9R1.41 CN1N=CC=C1C(=O)O BB05-0013 [1,1,0,0,0,0|0,0,2]=4 76 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 BB20-6179 [0,1,0,0,0,1|1,0,1]=4 77 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 BB57-2084 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BB58-2147 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 BB17-2778 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 BB01-8352 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 BB57-1377 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.21 CC1=CC=C(C(=O)O)C=C1I BB01-6183 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.21 CN1N=C(C(=O)O)C=CC1=O BB91-0077 [0,1,0,0,0,1|1,0,0]=3 84 B11R1.21 CN1N=C(C(=O)O)CCC1=O BB57-4745 [0,1,0,0,0,1|1,0,1]=4 85 B11R1.22 COC(=O)C1=CC=C(C)N=C1 BB20-3109 [0,1,0,0,0,1|1,0,1]=4 86 B11R1.22 COC(=O)C1=NC=C(C)N=C1 BB58-1082 [0,1,0,0,0,1|1,0,0]=3 87 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 BB58-0267 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 BB17-0944 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 BB55-3659 [0,1,0,0,0,1|1,0,1]=4 90 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 BB57-6773 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.166 OC(=O)C1=C(O)N=C(C)C=C1 BB01-6279 [0,1,0,0,0,1|1,0,1]=4 92 B11R1.39 CC1=CC(NC(=O)CCl)=NO1 BB55-1841 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BB17-0688 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 BB57-0255 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 BB17-0943 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.167 O=C(O)C1=CC(I)=CN=C1O BB20-0613 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 BB01-6346 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 BB01-2281 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 BB05-0255 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 BB01-7925 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 BB05-3794 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.672 CC1=C(Cl)C(C(=O)O)=NN1C BB05-0299 [0,2,0,0,0,0|0,0,0]=2 103 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB05-3623 [0,2,0,0,0,0|0,0,2]=4 104 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB58-2165 [0,2,0,0,0,0|0,0,2]=4 105 B11R1.673 CC1=C(Br)C(C(=O)O)=C(C)O1 BB01-3745 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br BB05-0064 [0,2,0,0,0,0|0,0,2]=4 107 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl BB05-0022 [0,2,0,0,0,0|0,0,2]=4 108 B9R1.6 O=C(O)C1=NC=CN=C1 BB01-7797 [0,0,1,1,0,0|2,0,0]=4 109 B9R1.13 O=C(O)CC1=CC=CS1 BB01-6099 [1,0,0,0,0,1|2,0,0]=4 110 B9R1.13 O=C(O)CC1=CSC=C1 BB01-0976 [1,0,0,0,0,1|2,0,0]=4 111 B9R1.13 O=C(O)CN1C=CC=N1 BB05-3145 [1,0,0,0,0,1|2,0,0]=4 112 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 BB01-6131 [0,0,0,0,0,2|2,0,0]=4 113 B11R1.75 CC1=NN=C(SCC(=O)O)N1 BB01-4927 [0,0,0,0,0,2|1,0,1]=4 114 B11R1.157 CC(=O)CC1=NC=CC(C)=C1 BB55-6190 [0,0,0,0,0,2|2,0,0]=4