0 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,0,0,0,0,0|0,0,2]=2 4 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.15 N#CC(N)c1ccccc1 28208 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,0,0,0,0,0|1,0,1]=2 18 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 NNC(=O)C1=NC=CC=C1 23651 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,0,0|0,0,0]=1 39 B9R1.6 CN(C)C1=CC=NC=C1 2377 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 CN(C)C1=CN=CN=C1 27648 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 CN(C)C1=NC=CC=C1 14996 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,0,0|0,0,0]=1 44 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,0,0|0,0,0]=1 45 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,0,0|0,0,0]=1 46 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,0,0|0,0,0]=1 50 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,0,0|0,0,0]=1 51 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 OB(O)C1=CC=CC=C1 1753 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,0,0,0,0,0|1,0,2]=4 83 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|0,0,0]=1 88 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 21780 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 10864 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 10047 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 10826 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.12 CCB(CC)C1=CC=CN=C1 28152 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.12 CCN(CC)c1ccccc1 18261 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.12 C\C=C(\C=O)C1=CC=CC=C1 10989 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.12 N#CC(C#N)C1=CC=CC=C1 10707 [0,1,0,0,0,0|0,0,3]=4 106 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.16 C[C@@H](N=C=O)c1ccccc1 8096 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 8097 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.22 N#C[C@H](O)C1=CC=C(Br)C=C1 17476 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 17478 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 3743 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 3622 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 3483 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 3885 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 35120 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 19020 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 3083 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 28263 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 25952 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.23 NCC(=O)c1cccc(Br)c1 31219 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 19650 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19371 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19372 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 3621 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 3482 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 5640 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 29255 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 29257 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 13417 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 16446 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 3370 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.23 O=C(CCl)C1=CC(O)=CC=C1 16445 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.23 OC(CBr)C1=CC(Cl)=CC=C1 5669 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.23 O[C@H](CCl)C1=CC(Cl)=CC=C1 15567 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 29143 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.222 NC1=C(C(=O)CBr)C=CC=C1 29244 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 3742 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 3481 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.222 NNC(=O)C1=CC=CC=C1O 22912 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 16835 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.222 O=C(CBr)c1ccccc1Cl 11080 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,1,0,0,0,0|2,0,0]=3 205 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [0,0,0,1,0,0|1,0,2]=4 206 B11R2.1 BrC1=NNC2=CC=CC=C21 11861 [0,0,0,1,0,0|2,0,1]=4 207 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,0,0,1,0,0|1,0,2]=4 208 B11R2.1 CC1=CNC2=C1C=NC=C2 34831 [0,0,0,1,0,0|1,0,2]=4 209 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,0,0,1,0,0|0,0,2]=3 210 B11R2.1 CC1=CNC2=NC=CC=C12 19349 [0,0,0,1,0,0|1,0,2]=4 211 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [0,0,0,1,0,0|1,0,2]=4 212 B11R2.1 CC1=NNC2=C1C=NC=C2 32587 [0,0,0,1,0,0|2,0,1]=4 213 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,0,0,1,0,0|1,0,1]=3 214 B11R2.1 CC1=NNC2=CC=CN=C21 33375 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.1 CC1=NNC2=CN=CC=C21 33379 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.1 CC1=NNC2=NC=CC=C12 32568 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,0,0,1,0,0|1,0,1]=3 218 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,0,0,1,0,0|0,0,0]=1 219 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [0,0,0,1,0,0|1,0,2]=4 221 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [0,0,0,1,0,0|1,0,2]=4 223 B11R2.1 IC1=NNC2=CC=CC=C21 11868 [0,0,0,1,0,0|2,0,1]=4 224 B11R2.1 NC1=NNC2=CC=CC=C21 11848 [0,0,0,1,0,0|2,0,1]=4 225 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,0,0,1,0,0|2,0,0]=3 226 B11R2.1 NC1COC2=NC=CC=C21 34572 [0,0,0,1,0,0|3,0,0]=4 227 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,0,0,1,0,0|2,0,0]=3 229 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,0,0,1,0,0|2,0,0]=3 230 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,0,0,1,0,0|2,0,1]=4 231 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,0,0,1,0,0|2,0,1]=4 232 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,0,0,1,0,0|2,0,1]=4 233 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [0,0,0,1,0,0|1,0,2]=4 235 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,1,0,0|1,0,0]=2 236 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,1,0,0|0,0,0]=1 237 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,1,0,0|0,0,0]=1 238 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,1,0,0|0,0,0]=1 239 B11R2.40 NC1(C2=CC=CC=C2)CC1 13912 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.40 NC1(C2=CC=CC=C2)CC1 22892 [0,0,0,1,0,0|2,0,0]=3 241 B9R1.11 CNC(C)C1=CC=CN1 16635 [0,0,0,0,1,0|3,0,0]=4 242 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,0,0,0,0,1|2,0,1]=4 243 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,0,0,0,0,1|2,0,1]=4 244 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,0,0,0,0,1|2,0,1]=4 245 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,0,0,0,0,1|1,0,2]=4 246 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,0,0,0,0,1|1,0,2]=4 247 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,0,0,0,0,1|2,0,0]=3 248 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,0,0,0,0,1|2,0,1]=4 249 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,0,0,0,0,1|2,0,0]=3 250 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,0,0,0,0,1|2,0,0]=3 251 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 253 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 255 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|0,0,2]=4 270 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|0,0,0]=2 271 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 NCC1=NC=CC=N1 26329 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 NCC1=NC=CN=C1 17822 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 NNC1=CC=NC=C1 16313 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 NNC1=NC=CC=C1 22630 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,1,0,0,0,0|0,0,2]=4 287 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,1,0,0,0,0|0,0,0]=2 296 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.13 CC(C)C1=NC=C(Br)C=N1 27971 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,1,0,0,0,0|0,0,0]=2 300 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,1,0,0,0,0|0,0,0]=2 301 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.13 CN(C)C1=CC=C(Br)N=C1 33778 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.13 CN(C)C1=NC=C(Br)C=C1 5051 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.13 CN(C)C1=NC=C(N)C=C1 15373 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,1,0,0,0,0|0,0,0]=2 322 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 25824 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.13 N=C(N)C1=CC=C(N)C=C1 13445 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 10912 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.13 NC(=S)C1=CC=C(N)C=C1 13560 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.28 CC(C)(C)C1=CC=CC=C1 36004 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.28 CC(C)(N)C1=CC=CC=C1 19654 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.28 CC(C)(O)C1=CC=NC=C1 16172 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.28 CC(C)(O)C1=NC=CC=C1 34335 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.28 CC(C)(S)C1=CC=CC=C1 6849 [1,1,0,0,0,0|0,0,0]=2 348 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 10814 [1,1,0,0,0,0|0,1,0]=3 350 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 22016 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.28 FC(F)(F)C1=CC=CC=C1 18922 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.28 FC(F)(F)C1=CC=CC=C1 5423 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.61 CC(C)C1=C(Cl)C=NC=C1 6618 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [1,1,0,0,0,0|0,0,0]=2 362 B10R1.61 CC(C)C1=C(O)C=CN=C1 35264 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [1,1,0,0,0,0|0,0,0]=2 364 B10R1.61 CC(C)C1=CC=CN=C1Cl 6145 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.61 CC(C)C1=NC=CC=C1Br 32481 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 10210 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.61 CC1=NC=CN=C1C(C)C 24268 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [1,1,0,0,0,0|0,0,0]=2 372 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.113 CC(C)C1=CC(Cl)=NC=N1 22619 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.113 CC(C)C1=CC=CC(Br)=N1 28919 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 10559 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 33540 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.113 CC(C)c1cccc(Br)c1 27489 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.113 CC(N)C1=CC(F)=CC=C1 24339 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.113 CN(C)C1=CC(Br)=CC=C1 3760 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.113 CN(C)C1=CC(Br)=CN=C1 22076 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.113 CN(C)C1=CC(Br)=NC=C1 27965 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 3637 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 32418 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.113 CN(C)C1=CC(F)=CC=C1 5244 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.113 CN(C)C1=CC(N)=CC=C1 14991 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.113 CN(C)C1=CC=CC(O)=C1 11072 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.113 CN(C)C1=NC(Br)=CC=C1 20311 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.113 CN(C)C1=NC=CC(Br)=C1 27960 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.113 C[C@@H](N)C1=CC(Cl)=CC=C1 24741 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 24730 [1,1,0,0,0,0|0,0,0]=2 414 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 14235 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 24746 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.113 C[C@H](N)C1=CC(Cl)=CC=C1 24735 [1,1,0,0,0,0|0,0,0]=2 420 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 25216 [1,1,0,0,0,0|0,0,0]=2 421 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.113 FC1=CC(C(F)F)=CC=C1 28464 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25825 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25933 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 20134 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.113 NC(=S)C1=CC(F)=CC=C1 35675 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|0,0,2]=4 435 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|0,0,2]=4 451 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|0,0,2]=4 454 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|0,0,2]=4 455 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|0,0,2]=4 456 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|0,0,0]=2 458 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|0,0,0]=2 461 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|0,0,0]=2 462 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|0,0,0]=2 463 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|0,0,0]=2 464 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,1,0,0,0,0|0,0,2]=4 471 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [1,1,0,0,0,0|0,0,2]=4 482 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [1,1,0,0,0,0|0,0,2]=4 484 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [1,1,0,0,0,0|0,0,2]=4 485 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|0,0,0]=2 487 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|0,0,0]=2 488 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|0,0,0]=2 489 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.4 NNCc1ccccc1F 34909 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [1,1,0,0,0,0|0,0,2]=4 508 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [1,1,0,0,0,0|0,0,2]=4 509 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [1,1,0,0,0,0|0,0,2]=4 510 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [1,1,0,0,0,0|0,0,2]=4 511 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [1,1,0,0,0,0|0,0,2]=4 512 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|0,0,0]=2 514 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|0,0,0]=2 515 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|0,0,0]=2 518 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|0,0,0]=2 519 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.17 NCCCC1=CC=CN=C1 23791 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,1,0,0,0,0|0,0,0]=2 536 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,1,0,0,0,0|0,0,0]=2 537 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.17 NNCOC1=CC=CN=C1 16450 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.17 OCC#CC1=CC=CC=C1 13580 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,1,0,0,0,0|1,0,1]=4 555 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [0,1,0,0,0,1|1,0,0]=3 556 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [0,1,0,0,0,1|1,0,1]=4 557 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [0,1,0,0,0,1|1,0,1]=4 558 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 9267 [0,1,0,0,0,1|1,0,1]=4 559 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 6415 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 16203 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,1,0,0,0,1|1,0,1]=4 563 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,1,0,0,0,1|1,0,1]=4 564 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,1,0,0,0,1|1,0,1]=4 565 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [0,1,0,0,0,1|1,0,0]=3 568 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 19386 [0,2,0,0,0,0|0,0,2]=4 569 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 19618 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 5380 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.13 CC1=CC(C(CN)CO)=CC=C1 14057 [0,2,0,0,0,0|0,0,0]=2 572 B12R1.13 CCN(CC)C1=CC=CC(O)=C1 19876 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.13 COC(OC)C1=CC(Br)=CC=C1 5378 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.243 COC(OC)C1=C(Br)C=CC=C1 5376 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.243 COC(OC)C1=C(I)C=CC=C1 5350 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.478 CC[C@H](C(=O)O)c1ccccc1 9874 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 16164 [0,2,0,0,0,0|0,0,1]=3 578 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 18243 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 20483 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.17 CNC[C@H](O)c1cccc(O)c1 23988 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 23460 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.17 N[C@H](CCO)C1=CC(Cl)=CC=C1 20484 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 24609 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.30 CNCCC(O)C1=CC=CC=C1 27334 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 23266 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 23246 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 16362 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.5 N#Cc1ccc(C(=O)CN)cc1 20059 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 6074 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 36477 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 18183 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 16751 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 22349 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.1703 NC[C@@H](O)C1=C(Cl)C=C(Cl)C=C1 19373 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.1703 OC[C@@H](O)C1=C(Cl)C=C(Cl)C=C1 35982 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.1703 O[C@H](CCl)C1=C(Cl)C=C(Cl)C=C1 30376 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 23445 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 33782 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.225 C[C@@H](c1cccc(O)c1)N(C)C 9985 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.354 CCC(O)C1=C(F)C=CC(Br)=C1 20349 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.358 NCC(O)C1=CC(Cl)=CC(Cl)=C1 19374 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.435 COc1cccc(C(=O)CN)c1 20065 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.435 N#Cc1cccc(C(=O)CN)c1 20061 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 23462 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 13913 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 18735 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 28818 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F 15591 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.77 COc1ccccc1C(=O)CN 20067 [0,2,0,0,0,0|1,0,1]=4 622 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|0,0,0]=2 623 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|1,0,0]=3 624 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|1,0,0]=3 625 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,0]=3 626 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [1,0,0,1,0,0|1,0,1]=4 627 B10R2.7 C1=CC2=C(C=C1)NN=N2 16004 [1,0,0,1,0,0|2,0,0]=4 628 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|1,0,0]=3 629 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|2,0,0]=4 630 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|1,0,1]=4 631 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|1,0,0]=3 632 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|2,0,0]=4 633 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|2,0,0]=4 634 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|2,0,0]=4 635 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|0,0,0]=2 636 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [1,0,0,1,0,0|1,0,1]=4 637 B10R2.7 C1=CN=C2CCCC2=C1 15900 [1,0,0,1,0,0|2,0,0]=4 638 B10R2.7 C1=CN=C2NCCC2=C1 18022 [1,0,0,1,0,0|1,0,0]=3 639 B10R2.7 C1=NC=C2NCCC2=C1 18023 [1,0,0,1,0,0|1,0,0]=3 640 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,0,0,1,0,1|1,0,1]=4 641 B12R2.18 CC1CC2=CC=CC=C2N1N 23226 [0,0,0,1,0,1|1,0,0]=3 642 B12R2.18 CC1CC2=CC=CC=C2N1N 9485 [0,0,0,1,0,1|1,0,0]=3 643 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 5733 [0,0,0,1,0,1|1,0,0]=3 644 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O 16026 [0,0,0,1,0,1|1,0,0]=3 645 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O 5732 [0,0,0,1,0,1|1,0,0]=3 646 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,0,0,1,0,1|2,0,0]=4 647 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,0,0,1,0,1|1,0,0]=3 648 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,0,0,1,0,1|2,0,0]=4 649 B12R2.27 OC[C@@H]1O[C@H]1C2=CC=CC=C2 11278 [0,0,0,1,0,1|2,0,0]=4 650 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 11277 [0,0,0,1,0,1|2,0,0]=4 651 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,0,0,1,0,1|1,0,1]=4 652 B12R2.32 N#CC1CC2=CC=CC=C2C1 23088 [0,0,0,1,0,1|0,0,2]=4 653 B12R2.32 NCC1=CC2=CC=CC=C2N1 20289 [0,0,0,1,0,1|0,0,2]=4 654 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 26374 [0,0,0,1,0,1|1,0,1]=4 655 B12R2.48 OCC1(C2=CC=CC=C2)CC1 15556 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.1 OCC1=NNC2=CC=CC=C21 11866 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 29714 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.2 C1=CC=C(C2CCNC2)C=C1 22374 [0,1,0,1,0,0|0,0,0]=2 659 B12R2.2 C1=CC=C(C2CCNC2)C=C1 30375 [0,1,0,1,0,0|0,0,0]=2 660 B12R2.2 C1=CC=C(N2CCCC2)C=C1 9192 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 15596 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23243 [0,1,0,1,0,0|1,0,0]=3 663 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 15595 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 23242 [0,1,0,1,0,0|1,0,0]=3 665 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 18577 [0,1,0,1,0,0|0,0,0]=2 666 B12R2.2 C1=CN=CC(C2CCCN2)=C1 16040 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.2 C1=CN=CC(C2CCNC2)=C1 16492 [0,1,0,1,0,0|1,0,0]=3 668 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 15004 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.1081 CC1NCCC2=CC=CC=C21 13018 [0,1,0,1,0,0|1,0,0]=3 670 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.1081 NC1CCOC2=CC=CC=C21 27739 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.1081 NC1CSCC2=CC=CC=C21 14610 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [0,1,0,1,0,0|2,0,0]=4 676 B12R2.1081 O=C1CCNC2=CC=CC=C12 21010 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.1081 OC1CCNC2=CC=CC=C21 31803 [0,1,0,1,0,0|1,0,0]=3 678 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [0,1,0,1,0,0|1,0,0]=3 679 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 19083 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 28047 [0,1,0,1,0,0|1,0,1]=4 681 B12R2.612 CC1=NNC2=CC(Cl)=CC=C21 32530 [0,1,0,1,0,0|1,0,1]=4 682 B12R2.612 CC1=NNC2=CC(F)=CC=C21 20302 [0,1,0,1,0,0|1,0,1]=4 683 B12R2.612 CC1=NNC2=CC(I)=CC=C21 32529 [0,1,0,1,0,0|1,0,1]=4 684 B12R2.612 CC1=NNC2=CC(N)=CC=C21 15631 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.612 CC1=NNC2=CC(O)=CC=C21 18073 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.612 CC1NCC2=CC(Br)=CC=C21 11459 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.612 CC1NCC2=CC(Br)=CC=C21 16791 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.612 C[C@H]1NCC2=CC(Br)=CC=C21 11460 [0,1,0,1,0,0|2,0,0]=4 689 B12R2.612 NC1COC2=C1C=CC(Br)=C2 17825 [0,1,0,1,0,0|2,0,0]=4 690 B12R2.612 NC1COC2=C1C=CC(Br)=C2 23149 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.132 CC1=CNC2=CC=C(F)C=C12 1686 [0,1,0,1,0,0|0,0,2]=4 692 B12R2.132 CC1=CNC2=CC=C(O)C=C12 21876 [0,1,0,1,0,0|0,0,2]=4 693 B12R2.132 CC1=NNC2=CC=C(Br)C=C21 7815 [0,1,0,1,0,0|1,0,1]=4 694 B12R2.132 CC1=NNC2=CC=C(Cl)C=C21 32533 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.132 CC1=NNC2=CC=C(F)C=C21 28054 [0,1,0,1,0,0|1,0,1]=4 696 B12R2.132 CC1=NNC2=CC=C(I)C=C21 28052 [0,1,0,1,0,0|1,0,1]=4 697 B12R2.132 CC1=NNC2=CC=C(N)C=C21 7825 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.132 CC1=NNC2=CC=C(O)C=C21 32538 [0,1,0,1,0,0|1,0,1]=4 699 B12R2.132 NC1CCC2=CC=C(O)C=C21 23073 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 23068 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.132 O=S1CNC2=C1C=C(Cl)C=C2 21833 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 28049 [0,1,0,1,0,0|1,0,1]=4 703 B12R2.196 CC1=NNC2=C(F)C=CC=C12 28046 [0,1,0,1,0,0|1,0,1]=4 704 B12R2.196 CC1=NNC2=C(N)C=CC=C12 32933 [0,1,0,1,0,0|1,0,1]=4 705 B12R2.1282 NC1(C2=CC(Br)=CC=C2)CC1 23874 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 18679 [0,1,0,1,0,0|1,0,0]=3 707 B12R2.88 NC1(C2=C(F)C=CC=C2)CC1 34486 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.203 CC1=NNC2=C1C(N)=CC=C2 28072 [0,1,0,1,0,0|1,0,1]=4 709 B12R2.203 CC1=NNC2=C1C(O)=CC=C2 32534 [0,1,0,1,0,0|1,0,1]=4 710 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 28048 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 32535 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.203 CC1=NNC2=CC=CC(F)=C21 28053 [0,1,0,1,0,0|1,0,1]=4 713 B8R1.7 CC(C)=C1C=CC=C1 35011 [1,0,0,0,1,0|0,0,1]=3 714 B8R1.7 CC(C)C1=NC=CN1 15977 [1,0,0,0,1,0|2,0,0]=4 715 B8R1.7 CC(C)C1=NNC=C1 11026 [1,0,0,0,1,0|2,0,0]=4 716 B8R1.7 CC(O)[C-]1C=CC=C1 35557 [1,0,0,0,1,0|1,0,1]=4 717 B8R1.8 NCCC1=CC=CS1 5579 [1,0,0,0,1,0|1,0,0]=3 718 B8R1.8 NCCC1=CC=CS1 8859 [1,0,0,0,1,0|1,0,0]=3 719 B8R1.8 NCCC1=CNC=N1 9893 [1,0,0,0,1,0|2,0,0]=4 720 B8R1.8 NCCC1=CSC=C1 14605 [1,0,0,0,1,0|1,0,0]=3 721 B8R1.8 NCCC1=CSC=C1 24381 [1,0,0,0,1,0|1,0,0]=3 722 B8R1.8 NCCC1=NC=CN1 24954 [1,0,0,0,1,0|2,0,0]=4 723 B8R1.8 NCCN1C=CN=C1 12985 [1,0,0,0,1,0|2,0,0]=4 724 B8R1.8 NCCN1C=CN=C1 8054 [1,0,0,0,1,0|2,0,0]=4 725 B8R1.8 OCCC1=CC=CS1 5581 [1,0,0,0,1,0|2,0,0]=4 726 B8R1.8 OCCC1=CSC=C1 20415 [1,0,0,0,1,0|2,0,0]=4 727 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,0,0,0,0,2|1,0,1]=4