0 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.15 N#CC(N)c1ccccc1 28208 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,0,0,0,0,0|1,0,3]=4 28 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.6 CN(C)C1=CC=NC=C1 2377 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 CN(C)C1=NC=CC=C1 14996 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,0,0|0,0,1]=2 50 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,0,0|0,0,1]=2 54 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,0,0,0,0|1,1,1]=4 58 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,0,0,0,0|1,1,1]=4 59 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.6 OB(O)C1=CC=CC=C1 1753 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|1,0,1]=3 76 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.8 O=C=NC1=CC=CN=C1 14441 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|1,1,1]=4 98 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|1,1,1]=4 99 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|1,1,1]=4 100 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 21780 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 15333 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 10047 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.12 CCN(CC)c1ccccc1 18261 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.12 C\C=C(\C=O)C1=CC=CC=C1 10989 [0,1,0,0,0,0|0,0,1]=2 107 B11R1.12 N#CC(C#N)C1=CC=CC=C1 10707 [0,1,0,0,0,0|1,0,2]=4 108 B11R1.12 O=CC(C=O)c1ccncn1 6893 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,1,0,0,0,0|0,0,2]=3 110 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.16 C[C@@H](N=C=O)c1ccccc1 8096 [0,1,0,0,0,0|0,0,1]=2 112 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 8097 [0,1,0,0,0,0|0,0,1]=2 113 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,1,0,0,0,0|1,0,2]=4 115 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,1,0,0,0,0|1,0,2]=4 117 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 7575 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.22 N#C[C@H](O)C1=CC=C(Br)C=C1 17476 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 17478 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 19650 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19371 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19372 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 5640 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 12315 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.23 O=CC(=O)C1=CC(Cl)=CC=C1 12320 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.23 OC(CBr)C1=CC(Cl)=CC=C1 5669 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.23 O[C@H](CCl)C1=CC(Cl)=CC=C1 15567 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,1,0,0,0,0|0,0,2]=3 146 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,0,0,0,0|0,0,0]=1 147 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,0,0,0,0|0,0,0]=1 148 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.222 O=CC(=O)C1=CC=CCC1=S 12133 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,1,0,0,0,0|1,0,2]=4 163 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [0,0,0,1,0,0|2,0,1]=4 164 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [0,0,0,1,0,0|1,0,2]=4 165 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [0,0,0,1,0,0|1,1,1]=4 166 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,0,0,1,0,0|1,0,1]=3 167 B11R2.1 CC1=CNC2=C1C=NC=C2 34831 [0,0,0,1,0,0|2,0,1]=4 168 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,0,0,1,0,0|1,0,1]=3 169 B11R2.1 CC1=CNC2=NC=CC=C12 19349 [0,0,0,1,0,0|2,0,1]=4 170 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [0,0,0,1,0,0|0,1,1]=3 171 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,0,0,1,0,0|2,0,1]=4 172 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,0,0,1,0,0|1,0,0]=2 173 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,0,0,1,0,0|1,0,1]=3 174 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.1 CN1C=CC2=CC=CN=C21 35080 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [0,0,0,1,0,0|2,0,0]=3 177 B11R2.1 CN1C=NC2=CC=CN=C21 26941 [0,0,0,1,0,0|3,0,0]=4 178 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [0,0,0,1,0,0|3,0,0]=4 179 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [0,0,0,1,0,0|2,0,1]=4 185 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,1,0,0|1,0,1]=3 186 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,1,0,0|1,0,1]=3 187 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,1,0,0|1,0,1]=3 188 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,1,0,0|1,0,1]=3 189 B11R2.40 NC1(C2=CC=CC=C2)CC1 13912 [0,0,0,1,0,0|2,0,1]=4 190 B11R2.40 NC1(C2=CC=CC=C2)CC1 22892 [0,0,0,1,0,0|2,0,1]=4 191 B9R1.11 CNC(C)C1=CC=CN1 16635 [0,0,0,0,1,0|3,0,0]=4 192 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,0,0,0,0,1|2,0,1]=4 193 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,0,0,0,0,1|2,0,1]=4 194 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,0,0,0,0,1|2,0,1]=4 195 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,0,0,0,0,1|2,0,1]=4 196 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,0,0,0,0,1|1,0,2]=4 197 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,0,0,0,0,1|1,0,2]=4 198 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,0,0,0,0,1|1,0,2]=4 199 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 200 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 202 B8R1.2 C=CC1=NC=CC=C1 23910 [2,0,0,0,0,0|1,0,1]=4 203 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,0]=3 208 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 218 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 O=CC1=CC=CN=C1 1124 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.2 O=CC1=CC=CN=N1 23311 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 O=CC1=CC=NC=C1 11745 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.2 O=CC1=CN=CN=C1 5298 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 O=CC1=NC=CC=C1 11741 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.2 O=CC1=NC=CC=N1 23190 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 O=CC1=NC=CN=C1 32140 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|1,0,1]=4 231 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|1,0,1]=4 232 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|1,0,1]=4 233 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|0,1,0]=3 234 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|1,1,0]=4 235 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|1,1,0]=4 236 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|1,1,0]=4 237 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,1,0,0,0,0|0,0,1]=3 238 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,1,0,0,0,0|0,0,1]=3 239 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,1,0,0,0,0|0,0,1]=3 240 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,1,0,0,0,0|0,0,1]=3 241 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,1,0,0,0,0|0,0,1]=3 242 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,1,0,0,0,0|0,0,1]=3 243 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,1,0,0,0,0|0,0,1]=3 244 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,1,0,0,0,0|0,0,1]=3 245 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,1,0,0,0,0|0,0,1]=3 253 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,1,0,0,0,0|0,0,1]=3 254 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,1,0,0,0,0|0,0,1]=3 256 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,1,0,0,0,0|0,0,1]=3 259 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,1,0,0,0,0|0,0,1]=3 266 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,1,0,0,0,0|0,0,1]=3 276 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,1,0,0,0,0|0,0,1]=3 277 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,1,0,0,0,0|0,0,1]=3 278 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,1,0,0,0,0|0,0,1]=3 282 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,1,0,0,0,0|0,0,1]=3 283 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,1,0,0,0,0|0,0,1]=3 284 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2098 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 24616 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2286 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 4436 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 5422 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.13 O=[N+]([O-])c1ccc(Br)cc1 27491 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.28 CC(C)(C)C1=CC=CC=C1 36004 [1,1,0,0,0,0|0,0,1]=3 314 B10R1.28 CC(C)(N)C1=CC=CC=C1 19654 [1,1,0,0,0,0|0,0,1]=3 315 B10R1.28 CC(C)(O)C1=CC=NC=C1 16172 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.28 CC(C)(O)C1=NC=CC=C1 34335 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.28 CC(C)(S)C1=CC=CC=C1 6849 [1,1,0,0,0,0|0,0,1]=3 318 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 10814 [1,1,0,0,0,0|0,1,1]=4 320 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 22016 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.28 FC(F)(F)C1=CC=CC=C1 18922 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.28 FC(F)(F)C1=CC=CC=C1 5423 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 6464 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.28 O=P(O)(O)C1=CC=CC=C1 21303 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 10441 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.28 O=S(=O)(F)C1=CC=CC=C1 14507 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 21767 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [1,1,0,0,0,0|0,0,1]=3 329 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [1,1,0,0,0,0|0,0,1]=3 331 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [1,1,0,0,0,0|0,0,1]=3 332 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [1,1,0,0,0,0|0,0,1]=3 335 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.61 CC(C)C1=C(Cl)C=NC=C1 6618 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [1,1,0,0,0,0|0,0,1]=3 345 B10R1.61 CC(C)C1=C(O)C=CN=C1 35264 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [1,1,0,0,0,0|0,0,1]=3 347 B10R1.61 CC(C)C1=CC=CN=C1Cl 6145 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.61 CC(C)C1=NC=CC=C1Br 32481 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 10210 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [1,1,0,0,0,0|0,0,1]=3 358 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [1,1,0,0,0,0|0,0,1]=3 359 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [1,1,0,0,0,0|0,0,1]=3 360 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 3819 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 2063 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 3952 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.61 O=[N+]([O-])c1ccccc1Cl 18481 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.61 O=[N+]([O-])c1ccccc1F 28476 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [1,1,0,0,0,0|0,0,1]=3 384 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [1,1,0,0,0,0|0,0,1]=3 388 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [1,1,0,0,0,0|0,0,1]=3 389 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [1,1,0,0,0,0|0,0,1]=3 391 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [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|0,0,1]=3 393 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [1,1,0,0,0,0|0,0,1]=3 394 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.113 CC(C)C1=CC=CC(Br)=N1 28919 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 10559 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 33540 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.113 CC(C)c1cccc(Br)c1 27489 [1,1,0,0,0,0|0,0,1]=3 403 B10R1.113 CC(N)C1=CC(F)=CC=C1 24339 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.113 CN(C)C1=CC(Br)=CC=C1 3760 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 3637 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.113 CN(C)C1=CC(F)=CC=C1 5244 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.113 CN(C)C1=CC(N)=CC=C1 14991 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.113 CN(C)C1=CC=CC(O)=C1 11072 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.113 C[C@@H](N)C1=CC(Cl)=CC=C1 24741 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 24730 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [1,1,0,0,0,0|0,0,1]=3 415 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [1,1,0,0,0,0|0,0,1]=3 416 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [1,1,0,0,0,0|0,0,1]=3 417 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 14235 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 24746 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.113 C[C@H](N)C1=CC(Cl)=CC=C1 24735 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 25216 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [1,1,0,0,0,0|0,0,1]=3 422 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [1,1,0,0,0,0|0,0,1]=3 423 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [1,1,0,0,0,0|0,0,1]=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 NC(=O)C1=CC(Br)=CC=C1 3734 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 24745 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 3820 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 10642 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 3954 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 17999 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|0,0,2]=4 458 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.1 O=C=NC1=CC=C(Br)C=C1 23279 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.1 O=C=NC1=CC=C(F)C=C1 4996 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|0,0,0]=2 468 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|0,0,2]=4 470 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|0,0,2]=4 471 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|0,0,2]=4 472 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|0,0,2]=4 482 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.4 NNCc1ccccc1F 34909 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|0,0,2]=4 488 B10R1.4 O=C=NC1=C(F)C=CC=C1 4455 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|0,0,2]=4 490 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|0,0,2]=4 491 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|0,0,2]=4 500 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.10 O=C=NC1=CC(F)=CC=C1 4995 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.10 OC1=CC(\C=C\Br)=CC=C1 31891 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|0,0,2]=4 510 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|0,0,2]=4 511 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.17 N#C\C=C\C1=CC=CC=C1 20433 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [1,1,0,0,0,0|0,0,1]=3 525 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,1,0,0,0,0|0,0,2]=4 527 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,1,0,0,0,0|0,1,1]=4 528 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,1,0,0,0,0|0,0,2]=4 533 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,1,0,0,0,0|1,1,0]=4 534 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,1,0,0,0,0|0,0,0]=2 535 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,1,0,0,0,0|0,0,1]=3 544 B10R1.23 CC(C(=O)O)N1C=CN=C1 8051 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.23 NC(C(=O)O)C1=CC=CO1 35017 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 29908 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.23 N[C@@H](C(=O)O)c1ccsc1 29914 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 29907 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.23 N[C@H](C(=O)O)c1ccsc1 29913 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.23 O=C(O)C(O)C1=CC=CS1 23764 [0,1,0,0,1,0|2,0,0]=4 551 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,1,0,0,0,1|1,0,0]=3 552 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,1,0,0,0,1|0,0,0]=2 553 B12R1.43 C[C@@H](NC1=NC=CC=C1)C(=O)O 5694 [0,1,0,0,0,1|1,0,0]=3 554 B12R1.43 C[C@H](NC1=NC=CN=C1)C(=O)O 17990 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,1,0,0,0,1|0,0,1]=3 556 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,1,0,0,0,1|1,0,0]=3 557 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,1,0,0,0,1|1,0,0]=3 558 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,1,0,0,0,1|1,0,0]=3 559 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 21965 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,1,0,0,0,1|1,0,0]=3 561 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,1,0,0,0,1|1,0,0]=3 562 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 20966 [0,1,0,0,0,1|2,0,0]=4 563 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 24900 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 20967 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 5696 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,1,0,0,0,1|1,0,0]=3 567 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 15910 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 29810 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,1,0,0,0,1|1,0,0]=3 570 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,1,0,0,0,1|1,0,0]=3 571 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,1,0,0,0,1|1,0,0]=3 572 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [0,1,0,0,0,1|0,0,2]=4 573 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 19386 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 19618 [0,2,0,0,0,0|0,0,0]=2 575 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 5380 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.13 CC1=CC(C(CN)CO)=CC=C1 14057 [0,2,0,0,0,0|0,0,2]=4 577 B12R1.13 COC(OC)C1=CC(Br)=CC=C1 5378 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.243 COC(OC)C1=C(Br)C=CC=C1 5376 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.243 COC(OC)C1=C(I)C=CC=C1 5350 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.478 CC[C@H](C(=O)O)c1ccccc1 9874 [0,2,0,0,0,0|0,0,0]=2 581 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 16164 [0,2,0,0,0,0|0,0,0]=2 582 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [0,2,0,0,0,0|0,0,0]=2 584 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 16362 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 19303 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 13900 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 15111 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 15101 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 15116 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 15114 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.107 N[C@H](CC(=O)O)C1=CC=NC=C1 15103 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 15113 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 12160 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 22236 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 31444 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 20743 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 23753 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 5933 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 5931 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 23439 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.367 O=CC(=O)C1=CC(Cl)=C(Cl)C=C1 12332 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 12210 [0,2,0,0,0,0|1,0,1]=4 620 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 12166 [0,2,0,0,0,0|1,0,1]=4 621 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F 28931 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 23445 [0,2,0,0,0,0|0,0,0]=2 623 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 33782 [0,2,0,0,0,0|0,0,0]=2 624 B12R1.225 C[C@@H](c1cccc(O)c1)N(C)C 9985 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.225 NC(C(=O)O)C1=CC(Br)=CC=C1 25471 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 20741 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.225 N[C@H](C(=O)O)C1=CC(Br)=CC=C1 30161 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 44765 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.225 O=C(O)[C@@H](O)C1=CC(Cl)=CC=C1 25302 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 25304 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.358 OC(C=S)C1=CC(Cl)=CC(Cl)=C1 10850 [0,2,0,0,0,0|1,1,0]=4 632 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 12325 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 23462 [0,2,0,0,0,0|0,0,0]=2 634 B12R1.124 NC(C(=O)O)C1=C(Br)C=CC=C1 31443 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 12338 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.124 NC(C(=O)O)C1=C(O)C=CC=C1 19644 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.124 N[C@@H](C(=O)O)c1ccccc1Cl 12292 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 5744 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 22144 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 23671 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 15895 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 5743 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 5742 [0,2,0,0,0,0|1,0,0]=3 644 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|0,0,1]=3 645 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|0,0,1]=3 646 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|0,0,1]=3 647 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,0]=3 648 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [1,0,0,1,0,0|2,0,0]=4 649 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [1,0,0,1,0,0|0,0,2]=4 650 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [1,0,0,1,0,0|1,0,1]=4 651 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|0,0,2]=4 652 B10R2.7 C1=CC2=C(C=C1)SC=C2 13545 [1,0,0,1,0,0|0,1,1]=4 653 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|1,0,0]=3 654 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|1,0,1]=4 655 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|2,0,0]=4 656 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|2,0,0]=4 657 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|2,0,0]=4 658 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|1,0,1]=4 659 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,0,0,1,0,1|1,0,1]=4 660 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,0,0,1,0,1|0,0,0]=2 661 B12R2.18 CC1CC2=CC=CC=C2N1N 23226 [0,0,0,1,0,1|2,0,0]=4 662 B12R2.18 CC1CC2=CC=CC=C2N1N 9485 [0,0,0,1,0,1|2,0,0]=4 663 B12R2.18 CN1NC2=CC=CC=C2C1=O 27652 [0,0,0,1,0,1|1,0,0]=3 664 B12R2.18 CN1SC2=C(C=CC=C2)C1=O 29423 [0,0,0,1,0,1|1,0,0]=3 665 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,0,0,1,0,1|1,0,0]=3 666 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,0,0,1,0,1|1,0,1]=4 667 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [0,0,0,1,0,1|1,0,1]=4 668 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [0,0,0,1,0,1|1,0,1]=4 669 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,0,0,1,0,1|1,0,1]=4 670 B12R2.32 N#CC1CC2=CC=CC=C2C1 23088 [0,0,0,1,0,1|1,0,1]=4 671 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 7004 [0,0,0,1,0,1|0,0,2]=4 672 B12R2.32 O=CC1=CC2=CC=CC=C2N1 18050 [0,0,0,1,0,1|0,0,2]=4 673 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 7591 [0,0,0,1,0,1|1,0,1]=4 674 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 14482 [0,0,0,1,0,1|1,0,1]=4 675 B12R2.48 OCC1(C2=CC=CC=C2)CC1 15556 [0,1,0,1,0,0|0,0,2]=4 676 B12R2.1 CCN1C=NC2=C1C=CC=C2 7658 [0,1,0,1,0,0|2,0,0]=4 677 B12R2.1 CON1C=NC2=C1C=CC=C2 8055 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.1 O=CC1=CNC2=CC=CC=C12 7247 [0,1,0,1,0,0|0,0,2]=4 679 B12R2.1 O=CC1=CSC2=C1C=CC=C2 13543 [0,1,0,1,0,0|0,0,2]=4 680 B12R2.1 O=CC1=NNC2=CC=CC=C21 11853 [0,1,0,1,0,0|1,0,1]=4 681 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 29714 [0,1,0,1,0,0|1,0,1]=4 682 B12R2.2 C1=CC=C(C2CCNC2)C=C1 22374 [0,1,0,1,0,0|1,0,1]=4 683 B12R2.2 C1=CC=C(C2CCNC2)C=C1 30375 [0,1,0,1,0,0|1,0,1]=4 684 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 15596 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23243 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 15595 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 23242 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 18577 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.1081 CC1=NC=CC2=CC=CC=C21 17034 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.1081 CC1NCCC2=CC=CC=C21 13018 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [0,1,0,1,0,0|0,0,0]=2 692 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 27908 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 15713 [0,1,0,1,0,0|1,0,1]=4 694 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 35955 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [0,1,0,1,0,0|1,0,1]=4 696 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 12493 [0,1,0,1,0,0|1,0,0]=3 697 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 12453 [0,1,0,1,0,0|1,0,0]=3 698 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 13972 [0,1,0,1,0,0|2,0,0]=4 699 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 32472 [0,1,0,1,0,0|0,0,2]=4 700 B12R2.612 CC1=CSC2=C1C=CC(Br)=C2 32447 [0,1,0,1,0,0|0,1,1]=4 701 B12R2.612 CC1=CSC2=C1C=CC(Cl)=C2 33021 [0,1,0,1,0,0|0,1,1]=4 702 B12R2.612 CC1NCC2=CC(Br)=CC=C21 11459 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.612 CC1NCC2=CC(Br)=CC=C21 16791 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 7946 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.612 CN1C=CC2=CC(Cl)=CC=C21 16045 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.612 CN1C=CC2=CC(F)=CC=C21 16044 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.612 CN1C=CC2=CC(N)=CC=C21 9381 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 28125 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.612 C[C@H]1NCC2=CC(Br)=CC=C21 11460 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 15354 [0,1,0,1,0,0|0,1,1]=4 711 B12R2.132 CC1=CNC2=CC=C(F)C=C12 1686 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.132 CC1=CNC2=CC=C(O)C=C12 21876 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 32473 [0,1,0,1,0,0|0,0,2]=4 714 B12R2.132 CC1=CSC2=C1C=C(Br)C=C2 32453 [0,1,0,1,0,0|0,1,1]=4 715 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 7372 [0,1,0,1,0,0|0,1,1]=4 716 B12R2.132 CC1=CSC2=C1C=C(F)C=C2 7416 [0,1,0,1,0,0|0,1,1]=4 717 B12R2.196 CC1=COC2=C1C=CC=C2Br 32467 [0,1,0,1,0,0|0,0,2]=4 718 B12R2.196 CC1=CSC2=C1C=CC=C2Br 33023 [0,1,0,1,0,0|0,1,1]=4 719 B12R2.196 CC1=CSC2=C1C=CC=C2Cl 13563 [0,1,0,1,0,0|0,1,1]=4 720 B12R2.196 CN1C=CC2=C(N)C=CC=C21 9377 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.196 CN1C=NC2=C1C=CC=C2Br 28934 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 18679 [0,1,0,1,0,0|1,0,1]=4 723 B12R2.203 CC1=CSC2=C1C(Br)=CC=C2 32454 [0,1,0,1,0,0|0,1,1]=4 724 B12R2.203 CC1=CSC2=C1C(Cl)=CC=C2 33022 [0,1,0,1,0,0|0,1,1]=4 725 B8R1.7 CC(=O)C1=CC=CN1 20915 [1,0,0,0,1,0|1,0,1]=4 726 B8R1.7 CC(=O)C1=CC=CO1 6939 [1,0,0,0,1,0|1,0,1]=4 727 B8R1.7 CC(=O)C1=CC=CS1 5172 [1,0,0,0,1,0|1,0,1]=4 728 B8R1.7 CC(=O)C1=CNC=C1 22508 [1,0,0,0,1,0|1,0,1]=4 729 B8R1.7 CC(=O)C1=CSC=C1 5220 [1,0,0,0,1,0|1,0,1]=4 730 B8R1.7 CC(C)=C1C=CC=C1 35011 [1,0,0,0,1,0|0,0,2]=4 731 B8R1.7 CC(O)[C-]1C=CC=C1 35557 [1,0,0,0,1,0|0,0,2]=4 732 B8R1.8 O=CCC1=CC=NO1 24239 [1,0,0,0,1,0|2,0,0]=4 733 B8R1.8 O=CCC1=NOC=C1 24240 [1,0,0,0,1,0|2,0,0]=4