0 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 AC-27309 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 AC-8442 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 AC-6966 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 AC-9352 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 AC-6177 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 AC-7476 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 AC-23160 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 AC-28101 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.59 CC1=NN(C)C=C1C(=O)O AC-23120 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.22 CC1=C(CN)SC(N)=N1 AC-5046 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.22 CC1=CC(C)=C(C=O)N1 AC-6173 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.22 CC1=NC(C)=C(C=O)S1 AC-9368 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.22 CC1=NC(C=O)=C(C)N1 AC-27133 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.22 CC1=NN(C)C(C=O)=C1 AC-9359 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.22 O=CC1=C(Br)N=C(Br)S1 AC-23023 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 AC-24709 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 CC(=O)C1=CC(C)=NO1 AC-27548 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.35 CC(=O)C1=CC=C(Br)S1 AC-4919 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.35 CC(=O)C1=CC=C(C)O1 AC-23593 [1,0,0,0,0,0|1,1,0]=3 19 B9R1.35 CC(=O)C1=CC=C(Cl)S1 AC-28052 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.35 CC1=CC=C(C(=O)O)S1 AC-2516 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.35 CC1=CN=C(C(=O)O)S1 AC-982 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 CC1=NC(C(=O)O)=CO1 AC-11857 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 CC1=NC(C(N)=O)=CS1 AC-30485 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.35 CC1=NC=C(C(=O)O)S1 AC-24501 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.35 CC1=NC=C(N(=O)=O)N1 AC-8195 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 AC-10807 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.35 CC1=NN=C(C(=O)[O-])O1 AC-27019 [1,0,0,0,0,0|2,1,0]=4 28 B9R1.35 CC1=NOC(C(=O)O)=C1 AC-23153 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.35 CN1C=C(C(=O)O)C=N1 AC-23605 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.35 NC1=NC=C(C(=O)O)S1 AC-3089 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 AC-2989 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AC-23924 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.35 O=C(O)C1=CC=C(Cl)S1 AC-25302 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.35 O=C(O)C1=CN=C(Br)S1 AC-3604 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.35 O=[N+]([O-])C1=CN=C(Br)S1 AC-7664 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.41 CC(=O)C1=CC=CN1C AC-7331 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.41 CC1=C(C(=O)O)C=CS1 AC-23892 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.41 CC1=C(C(=O)O)N=CN1 AC-28875 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.41 CC1=C(C(=O)O)OC=C1 AC-26702 [1,0,0,0,0,0|2,1,0]=4 40 B9R1.41 CC1=C(C(=O)O)OC=N1 AC-27136 [1,0,0,0,0,0|1,1,0]=3 41 B9R1.41 CC1=C(C(=O)O)SC=C1 AC-2519 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.41 CC1=C(C(=O)O)SC=N1 AC-7355 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.41 CC1=C(C(N)=O)SN=N1 AC-37187 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.41 CN1N=CC=C1C(=O)O AC-7334 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.41 NC(=O)C1=C(N)N=CN1 AC-8311 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.41 NC1=C(C(=O)O)SC=C1 AC-24323 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.49 CCC1=NC(C)=CN1C(C)=O AC-12480 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O AC-7734 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 AC-28209 [0,0,0,0,0,1|2,0,0]=3 50 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 AC-356 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 AC-10405 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.74 CC1=CC(N(=O)=O)=CC(C)=N1 AC-25630 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 AC-7397 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.74 CC1=NC(O)=CC(C(=O)O)=C1 AC-23269 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 AC-11737 [0,0,0,0,0,1|2,0,0]=3 56 B11R1.166 CC(=O)C1=C(N)C=C(C)N=C1 AC-27106 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.166 CC(=O)C1=CN=C(N)N=C1C AC-33860 [0,0,0,0,0,1|2,0,0]=3 58 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 AC-10005 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 AC-2687 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 AC-23208 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 AC-23220 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 AC-29537 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.166 CC1=NC(F)=CC=C1C(=O)O AC-33337 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F AC-33385 [0,0,0,0,0,1|3,0,0]=4 65 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 AC-3055 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 AC-25168 [0,0,0,0,0,1|2,0,0]=3 67 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 AC-33277 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 AC-25287 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 AC-25244 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.645 CC1=C(CC(=O)O)SC(S)=N1 AC-4347 [0,0,0,0,0,1|2,0,0]=3 71 B8R1.1 CC1=CC=C(C=O)O1 AC-34339 [2,0,0,0,0,0|1,1,0]=4 72 B8R1.1 CC1=CC=C(C=O)S1 AC-7208 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.1 CC1=CN=C(C=O)S1 AC-27892 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.1 CC1=NC(C=O)=CN1 AC-30325 [2,0,0,0,0,0|1,0,1]=4 75 B8R1.1 CCC1=CN=C(N)S1 AC-33835 [2,0,0,0,0,0|1,0,1]=4 76 B8R1.1 CN1C=C(C=O)C=N1 AC-6392 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.1 NC1=NC=C(C=O)S1 AC-27278 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.1 O=CC1=CC=C(Br)S1 AC-7519 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.1 O=CC1=CC=C(Cl)S1 AC-23179 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.11 C=CC1=C(C)N=CS1 AC-19940 [2,0,0,0,0,0|0,0,1]=3 81 B8R1.11 CC1=C(C=O)NC=N1 AC-33913 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.11 CC1=C(C=O)SC=N1 AC-5584 [2,0,0,0,0,0|0,0,0]=2 83 B8R1.11 CC1=NNC=C1C=O AC-27341 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.11 CN1N=CC=C1C=O AC-27342 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.11 O=CC1=C(Br)C=CS1 AC-25791 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.11 O=CC1=C(Cl)C=CS1 AC-22321 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.18 CC1=C(Br)SC(N)=N1 AC-5048 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.18 CC1=CC(C)=NN1C AC-4834 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.7 CC(=O)C1=CC=CO1 AC-11853 [2,0,0,0,0,0|1,1,0]=4 90 B8R1.7 CC(=O)C1=CC=CS1 AC-4918 [2,0,0,0,0,0|1,0,0]=3 91 B8R1.7 CC(=O)C1=CNC=C1 AC-13935 [2,0,0,0,0,0|1,0,1]=4 92 B8R1.7 CC(=O)C1=CNC=N1 AC-006 [2,0,0,0,0,0|1,0,1]=4 93 B8R1.7 CC(=O)C1=CSC=C1 AC-4928 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.7 CC(=O)C1=CSC=N1 AC-25623 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.7 CC(=O)C1=NC=CS1 AC-3209 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.7 CC(=O)N1C=CN=C1 AC-7521 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.7 O=C(O)C1=CC=CS1 AC-4922 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.7 O=C(O)C1=CN=CS1 AC-7398 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.256 C(=O)C1=C(C)N(C)N=C1C AC-23139 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.256 CC1=NN(C)C(Cl)=C1C=O AC-28098 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.14 COC(=O)C1=CC=C(Cl)S1 AC-28050 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.14 COC(=O)C1=CN=C(Br)S1 AC-4569 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.14 COC(=O)C1=CN=C(Cl)S1 AC-23314 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.14 COC(=O)C1=CN=C(N)O1 AC-33831 [1,1,0,0,0,0|1,1,0]=4 105 B10R1.14 COC(=O)C1=CN=C(N)S1 AC-3038 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.14 COC(=O)C1=COC(C)=N1 AC-6350 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.14 COC(=O)C1=CSC(C)=N1 AC-30473 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.39 CNC1=C(C(N)=O)NC=N1 AC-30426 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.149 COC(=O)C1=C(Br)C=CS1 AC-24319 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.149 COC(=O)C1=C(C)C=CO1 AC-26703 [1,1,0,0,0,0|1,1,0]=4 111 B10R1.149 COC(=O)C1=C(C)C=CS1 AC-2357 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.149 COC(=O)C1=C(C)N=CS1 AC-7645 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.149 COC(=O)C1=C(C)SC=C1 AC-23893 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.149 COC(=O)C1=C(N)C=CS1 AC-6762 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.149 COC(=O)C1=C(O)C=CS1 AC-31698 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.149 COC(=O)C1=CC=NN1C AC-30768 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.192 CC(=O)C1=C(C)NC=C1C AC-6172 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.358 COC(=O)C1=CC(C)=NC(Br)=C1 AC-9316 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.358 COC(=O)C1=CC(C)=NC(O)=C1 AC-23276 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 AC-23148 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.358 COC(=O)C1=CC(O)=NC(C)=N1 AC-11549 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.1703 COC(=O)C1=C(Cl)N=C(C)C=N1 AC-30779 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl AC-23242 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1C AC-22844 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.532 COC(=O)CC1=C(C)SC(C)=N1 AC-9358 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.850 CC1=NC(C(F)F)=C(C(=O)O)S1 AC-27629 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 AC-2762 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)N1 AC-28882 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)S1 AC-30154 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 AC-6514 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.313 CCOC(=O)C1=CC(C)=NN1C AC-28096 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.22 CC1=CC(C)=NC(C)=C1Br AC-6003 [0,0,1,1,0,0|2,0,0]=4 133 B10R1.22 CC1=CC(C)=NC(C)=C1N AC-4761 [0,0,1,1,0,0|2,0,0]=4 134 B10R1.61 CC(=O)C1=NC=CN=C1C AC-16260 [0,0,1,1,0,0|1,0,1]=4 135 B10R2.2 NC1=NC2=C(CCC2)S1 AC-20465 [1,0,0,1,0,0|1,0,1]=4 136 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 AC-23414 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 AC-8794 [0,0,0,1,0,1|2,0,0]=4 138 B12R2.202 CC1=CC2=C(CCCC2=O)N1 AC-13113 [0,1,0,1,0,0|1,0,1]=4 139 B12R2.202 CC1=CC2=C(CCCC2=O)O1 AC-13105 [0,1,0,1,0,0|2,0,0]=4 140 B12R2.202 NC1=NC2=C(S1)C(=O)CCC2 AC-24346 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.8 CC1=CC(C=O)=CC(C)=N1 AC-33274 [1,0,0,0,0,1|1,0,0]=3 142 B10R1.25 CC1=CC(C)=C(C=O)C=C1 AC-3324 [1,0,0,0,0,1|2,0,0]=4 143 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 AC-28214 [1,0,0,0,0,1|2,0,0]=4 144 B10R1.25 CC1=NC(F)=CC=C1C=O AC-33383 [1,0,0,0,0,1|2,0,0]=4 145 B10R1.25 CC1=NC(N)=C(C=O)C=C1 AC-28213 [1,0,0,0,0,1|2,0,0]=4 146 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC-26823 [1,0,0,0,0,1|2,0,0]=4 147 B10R1.13 CC(=O)C1=CC=C(C)N=C1 AC-5980 [1,0,0,0,0,1|1,0,0]=3 148 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC-33407 [1,0,0,0,0,1|2,0,0]=4 149 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 AC-152 [1,0,0,0,0,1|2,0,0]=4 150 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 AC-28502 [1,0,0,0,0,1|2,0,0]=4 151 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 AC-31547 [1,0,0,0,0,1|2,0,0]=4 152 B10R1.13 CC1=CC=C(C(=O)O)C=N1 AC-2544 [1,0,0,0,0,1|2,0,0]=4 153 B10R1.13 CC1=CN=C(C(=O)O)C=N1 AC-623 [1,0,0,0,0,1|2,0,0]=4 154 B10R1.13 CC1=NC=C(C(=O)O)C=N1 AC-3605 [1,0,0,0,0,1|2,0,0]=4