0 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.13 CC(C)C1=NC=C(Br)C=N1 27971 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 CC(C)N1CCC(=O)CC1 8897 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.13 CN(C)C1=CC=C(Br)N=C1 33778 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 CN(C)C1=NC=C(Br)C=C1 5051 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 CN(C)C1=NC=C(N)C=C1 15373 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 CN(C)c1ccc(N)cc1 21651 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [0,0,0,0,0,0|1,0,2]=3 37 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.1 CC1=CC=C(CO)C=N1 27403 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,0,0,0,0,0|0,0,2]=3 41 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.1 CCC1=CN=C(Br)C=N1 34496 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 CCC1=CN=C(C)C=C1 10482 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.1 CCC1=CN=C(C)C=C1 18256 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 CCC1=NC=C(N)C=C1 25855 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 CCc1ccc(F)cc1 22752 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.1 COC1=CC=C(C)N=C1 6640 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 COC1=NC=C(C)C=C1 6609 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.6 CC(N)C1=CCCCC1 36006 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.6 CN(C)C1=NC=CC=C1 14996 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,0,0|1,0,2]=4 69 B11R1.3 CC(C)C1=CC=C(NN)C=C1 7533 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.3 CN(C)C1=NC=C(CN)C=C1 34770 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 12522 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 3974 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 21472 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 6846 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 16914 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 30340 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 36092 [0,1,0,0,0,0|0,0,2]=3 82 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 17446 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 34596 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 25919 [0,1,0,0,0,0|0,0,2]=3 86 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 28331 [0,1,0,0,0,0|0,0,2]=3 87 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 10329 [0,1,0,0,0,0|0,0,2]=3 88 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 35906 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 5342 [0,1,0,0,0,0|1,0,2]=4 91 B11R2.34 BrC1=CC=C(C2CC2)N=C1 22082 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.34 BrC1=NC=C(C2CC2)C=C1 27621 [0,0,0,1,0,0|2,0,1]=4 93 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [0,0,0,1,0,0|1,0,2]=4 94 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [0,0,0,1,0,0|1,0,2]=4 95 B11R2.533 CC1=CCC2C[C@H]1C2(C)C 18155 [0,0,0,1,0,0|0,0,2]=3 96 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [0,0,0,0,1,0|2,0,1]=4 97 B9R1.35 CC(C)C1=CSC(Br)=N1 34404 [0,0,0,0,1,0|3,0,0]=4 98 B9R1.35 CC(C)C1=CSC(N)=N1 11137 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.35 CC(C)C1=NOC(N)=C1 15480 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.35 CC(C)N1C=C(N)C=N1 34130 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.35 CC(N)C1=CN(C)N=C1 24676 [0,0,0,0,1,0|3,0,0]=4 102 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,0,0,0,0,1|1,0,2]=4 103 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [0,0,0,0,0,1|1,0,2]=4 104 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [0,0,0,0,0,1|1,0,2]=4 105 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,0,0,0,0,1|1,0,2]=4 106 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 34828 [0,0,0,0,0,1|2,0,1]=4 107 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 22060 [0,0,0,0,0,1|2,0,1]=4 108 B8R1.3 CC1=CN=C(C)C=C1 20994 [2,0,0,0,0,0|1,0,1]=4 109 B8R1.3 CC1=CN=C(C)C=N1 8608 [2,0,0,0,0,0|2,0,0]=4 110 B10R0.3 CC(C)=CCC\C(C)=C\CBr 35505 [0,1,1,0,0,0|0,0,2]=4 111 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|0,0,2]=4 112 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|0,0,2]=4 113 B10R1.3 CCC1=CC=C(CCl)C=C1 4921 [1,1,0,0,0,0|0,0,2]=4 114 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [1,1,0,0,0,0|0,0,2]=4 115 B10R1.3 CCc1ccc(CCl)cc1 36258 [1,1,0,0,0,0|0,0,2]=4 116 B10R1.176 CCC1=CN=C(C)C(C)=N1 8618 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|0,0,2]=4 118 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|0,0,2]=4 119 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|0,0,2]=4 120 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|0,0,2]=4 122 B10R1.28 CC(C)(C)C1=CC=CC=C1 36004 [1,1,0,0,0,0|0,0,2]=4 123 B10R1.28 CC(C)(N)C1=CC=CC=C1 19654 [1,1,0,0,0,0|0,0,2]=4 124 B10R1.28 CC(C)(O)C1=NC=CC=C1 34335 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.28 CC(C)(S)C1=CC=CC=C1 6849 [1,1,0,0,0,0|0,0,2]=4 126 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [1,1,0,0,0,0|0,0,2]=4 127 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [1,1,0,0,0,0|0,0,2]=4 128 B10R1.61 CC(C)C1=C(O)C=CN=C1 35264 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.61 CC(C)C1=CC=CN=C1Cl 6145 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.61 CC(C)C1=NC=CC=C1Br 32481 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.61 CC1=NC=CN=C1C(C)C 24268 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.113 CC(C)C1=CC=CC(Br)=N1 28919 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 10559 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 33540 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.113 CC(C)c1cccc(Br)c1 27489 [1,1,0,0,0,0|0,0,2]=4 137 B10R1.31 CC(C)N1C=C(CN)C=N1 22759 [0,1,0,0,1,0|2,0,0]=4 138 B12R1.19 CC1=NC=C(CC(C)C)N=C1C 35605 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 4892 [0,2,0,0,0,0|0,0,2]=4 140 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 36097 [0,2,0,0,0,0|0,0,2]=4 141 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 4711 [0,2,0,0,0,0|0,0,2]=4 142 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 35317 [0,2,0,0,0,0|0,0,2]=4 143 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [0,2,0,0,0,0|0,0,2]=4 144 B12R1.6 COC1=CCC(C(C)(C)O)=CC1 15657 [0,2,0,0,0,0|0,0,0]=2 145 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 17248 [0,2,0,0,0,0|0,0,2]=4 146 B12R1.23 CC1=C(N)C=C(C(C)(C)C)C=C1 27805 [0,2,0,0,0,0|0,0,2]=4 147 B12R1.126 CC1=CC(O)=C(C(C)(C)C)C=C1 24316 [0,2,0,0,0,0|0,0,2]=4 148 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1Br 19801 [0,2,0,0,0,0|0,0,2]=4 149 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|0,0,2]=4 150 B8R1.1 CCC1=NC(C)=CN1 15974 [1,0,0,0,1,0|2,0,0]=4 151 B8R1.1 CCC1=NC(C)=CS1 9939 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.7 CC(C)=C1C=CC=C1 35011 [1,0,0,0,1,0|0,0,2]=4 153 B8R1.7 CC(C)C1=NC=CN1 15977 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.7 CC(C)C1=NNC=C1 11026 [1,0,0,0,1,0|2,0,0]=4 155 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,0,0,0,0,1|0,0,2]=4