0 B12R1.34 CC(C(=N)NO)C1=CC=CC=C1 SC-56235 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 SC-87160 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SC-17547 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 SC-46254 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SC-02347 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 SC-78159 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 SC-31320 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 SC-14275 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.16 CC(CCBr)C1=CC=CC=C1 SC-67580 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.16 CC(CNN)C1=CC=CC=C1 SC-12389 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.16 CC(CNN)C1=CC=CC=C1 SC-42306 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.16 COCC(=O)C1=CC=CC=C1 SC-58199 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SC-70086 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.36 CC(C(=N)N)C1=CC=CC=C1 SC-39385 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 SC-27696 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 SC-39292 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SC-45533 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 SC-57916 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.40 CC(CC1=CC=CC=C1)NN SC-39255 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.40 CC(CN)CC1=CC=CC=C1 SC-14752 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.40 COC(=O)CC1=CC=CC=C1 SC-26761 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.47 COC[C@H](N)[C@@H](O)C1=CC=CC=C1 SC-86659 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.86 COC(OC)C(=O)C1=CC=CC=C1 SC-71070 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.532 COC(=O)[C@H](OC)C1=CC=CC=C1 SC-27827 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.8137 S=C(C1=CC=CC=C1)C2CCC2 SC-42417 [0,0,0,1,0,0|1,1,1]=4 25 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 SC-68781 [0,0,0,0,0,1|2,0,1]=4 26 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 SC-00933 [0,0,0,0,0,1|2,0,1]=4 27 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 SC-24749 [0,0,0,0,0,1|2,0,1]=4 28 B10R1.15 BrCC(Br)C1=CC=CC=C1 SC-22066 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.15 C=C(CN)C1=CC=CC=C1 SC-35691 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.15 CC(NN)C1=CC=CC=C1 SC-51769 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.15 CNC(=O)C1=CC=CC=C1 SC-20462 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.15 OCC(O)C1=CC=CC=C1 SC-02935 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SC-01512 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.17 CCCCC1=NC=CC=C1 SC-52456 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 CNCCC1=CC=NC=C1 SC-25785 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.17 NNCCC1=CC=CC=N1 SC-58990 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 NNCCC1=NC=CC=C1 SC-41708 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.18 CC(C)OC1=CC=NC=C1 SC-48093 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.18 CC(C)OC1=CN=CC=C1 SC-66373 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.18 NC(=O)CC1=CC=CC=C1 SC-19149 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.3 CCC(CNN)C1=CC=CC=C1 SC-42164 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.3 CCC(CNN)C1=CC=CC=C1 SC-59977 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.3 CCCC(CC)C1=CC=CC=C1 SC-36299 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.3 CCCC(NN)C1=CC=CC=C1 SC-40126 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.16 C=CC[C@@H](O)C1=CC=C(Br)C=C1 SC-31130 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.16 C=CC[C@@H](O)C1=CC=C(C)C=C1 SC-31151 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.16 C=CC[C@@H](O)C1=CC=C(Cl)C=C1 SC-30551 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.16 C=CC[C@@H](O)C1=CC=C(F)C=C1 SC-30885 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.16 C=CC[C@H](O)C1=CC=C(Br)C=C1 SC-30462 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.16 C=CC[C@H](O)C1=CC=C(C)C=C1 SC-30494 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.16 C=CC[C@H](O)C1=CC=C(Cl)C=C1 SC-31146 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.16 C=CC[C@H](O)C1=CC=C(F)C=C1 SC-30540 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.17 C=CC[C@@H](O)C1=CC=CC(Br)=C1 SC-30645 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.17 C=CC[C@@H](O)C1=CC=CC(C)=C1 SC-30646 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.17 C=CC[C@@H](O)C1=CC=CC(Cl)=C1 SC-31325 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.17 C=CC[C@H](O)C1=CC=CC(Br)=C1 SC-30891 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.17 C=CC[C@H](O)C1=CC=CC(C)=C1 SC-31265 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.17 C=CC[C@H](O)C1=CC=CC(Cl)=C1 SC-31155 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.30 CCCCC(C)C1=CC=CC=C1 SC-36177 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.30 CNCCC(=O)C1=CC=CC=C1 SC-35337 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.39 CC(C)(CNN)C1=CC=CC=C1 SC-12827 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.39 CC(C)(CNN)C1=CC=CC=C1 SC-41768 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.39 CCCC(C)(C)C1=CC=CC=C1 SC-22055 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.308 C=CC[C@@H](O)C1=CC=CC=C1Br SC-30767 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.308 C=CC[C@H](O)C1=CC=CC=C1Br SC-30029 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 SC-17754 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.20 CC1=CC=C(C(=O)C(C)N)C=C1 SC-50443 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.20 CC1=CC=C([C@@H](O)C(=N)N)C=C1 SC-43017 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.20 N=C(N)C(O)C1=CC=C(O)C=C1 SC-40110 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 SC-50324 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.478 CC(Br)C(NN)C1=CC=CC=C1 SC-38836 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 SC-40257 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.478 CC(C)C(NN)C1=CC=CC=C1 SC-38671 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 SC-49817 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 SC-45972 [1,1,0,0,0,0|0,0,2]=4 76 B12R1.32 CN(CCO)CC1=CC=CC=C1 SC-22800 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.49 CC(CC1=CC=C(Cl)C=C1)NN SC-39020 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.49 CC(CC1=CC=C(F)C=C1)NN SC-39157 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.49 CC(CC1=CC=C([O-])C=C1)NN SC-41378 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.49 CC(CN)CC1=CC=C(Br)C=C1 SC-29670 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.49 CC1=CC=C(CC(C)NN)C=C1 SC-39158 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.50 CC(CC1=CC=CC(Cl)=C1)NN SC-41884 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.50 CC(CN)CC1=CC=CC(Br)=C1 SC-30247 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.118 CCC(CC1=CC=CC=C1)NN SC-38920 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.118 CCC(CN)CC1=CC=CC=C1 SC-29497 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.194 CC(N)(CN)CC1=CC=CC=C1 SC-30246 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.371 CC(CC1=CC=CC=C1Br)NN SC-41610 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.371 CC(CC1=CC=CC=C1F)NN SC-38798 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.371 CC(CN)CC1=CC=CC=C1Br SC-29424 [1,1,0,0,0,0|2,0,0]=4 90 B14R1.6391 CC(C)(C(=O)O)C(O)C1=CC=CC=C1 SC-30347 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.521 CCC(C)C(CNN)C1=CC=CC=C1 SC-59919 [0,2,0,0,0,0|2,0,0]=4 92 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SC-47817 [1,0,0,1,0,0|1,0,0]=3 93 B12R2.2 C1=CN=CC(C2CCNC2)=C1 SC-50981 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.1081 NC1CNCC2=C1C=CC=C2 SC-52233 [1,0,0,1,0,0|1,0,0]=3 95 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 SC-44493 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.1081 OC1CCCC2=C1C=CN=C2 SC-29515 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SC-62169 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.18 CC1CC2=C(C=CC=C2)N1N SC-16782 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.18 CC1CC2=CC=CC=C2N1N SC-00115 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SC-53503 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SC-26690 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.32 ClCC1CC2=C(C=CC=C2)C1 SC-61236 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.32 NNC1CC2=C(C=CC=C2)C1 SC-12825 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 SC-42034 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.21 CC1CCCC(C2=CC=CC=C2)N1 SC-50013 [0,0,0,1,0,1|2,0,0]=4 106 B14R2.972 CC(NN)C1=CC2=CC=CC=C2O1 SC-38839 [0,0,0,1,0,1|1,0,1]=4 107 B14R2.92 CC1C2=C(C=CC=C2)CCC1NN SC-39726 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.203 CC1CCC2=C(C=CC=C2)C1NN SC-38666 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.2850 NNC(C1=CC=CC=C1)C2CCC2 SC-39118 [0,1,0,1,0,0|2,0,0]=4 110 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 SC-45126 [1,0,0,0,0,1|2,0,0]=4 111 B14R1.756 C=CC(C)C(O)CCC1=CC=CC=C1 SC-49266 [0,0,0,0,0,2|1,0,1]=4