0 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.8 COCC1=CC=CC=C1 102522 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.8 NCCC1=CC=CC=C1 11614 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.8 NCCC1=CC=CC=C1 12328 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [0,0,0,0,0,0|0,0,1]=1 9 B8R1.2 NCC1=NC=CC=C1 21601 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [0,1,0,0,0,0|0,0,0]=1 13 B10R1.1 O\N=CC1=CC=C(Br)C=C1 20648 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.1 O\N=CC1=CC=C(C)C=C1 20713 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 19845 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.1 O\N=C\C1=CC=C(O)C=C1 15709 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 22278 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.4 CC1=CC=CC=C1NC=O 20052 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.4 O\N=CC1=CC=CC=C1Br 20508 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.10 CCOC1=CC(Cl)=CC=N1 102384 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.10 CCOC1=CC=CC(F)=N1 102383 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.10 N#CCC1=CC=CC(F)=C1 102623 [0,1,0,0,0,0|0,0,2]=3 23 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [0,1,0,0,0,0|0,0,0]=1 24 B10R1.10 O\N=C\C1=CC=CC(Br)=C1 102460 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.10 O\N=C\C1=CC=CC(Cl)=C1 102223 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.10 O\N=C\C1=CC=CC(O)=C1 102535 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.15 CC(C#N)C1=CC=CC=C1 14750 [0,1,0,0,0,0|0,0,2]=3 29 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [0,1,0,0,0,0|0,0,0]=1 34 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.15 OCC(O)C1=CC=CC=C1 731 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [0,1,0,0,0,0|1,0,2]=4 39 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [0,1,0,0,0,0|0,0,2]=3 42 B10R1.17 O=CNNC1=CC=CC=C1 16370 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [0,1,0,0,0,0|1,0,2]=4 44 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [0,1,0,0,0,0|1,0,1]=3 45 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [0,1,0,0,0,0|0,0,1]=2 47 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.4 C=C\C=C\C=C\CCC 102625 [0,0,1,0,0,0|1,0,0]=2 50 B8R0.4 C=C\C=C\CCCCC 102639 [0,0,1,0,0,0|1,0,2]=4 51 B10R2.7 N1N=CC2=CC=CN=C21 20622 [0,0,0,1,0,0|2,0,1]=4 52 B10R2.320 CC1CC2=CC=CC=C21 16579 [0,0,0,1,0,0|1,0,0]=2 53 B10R2.320 ClC1CC2=CC=CC=C21 16435 [0,0,0,1,0,0|1,0,0]=2 54 B10R2.320 O=C1CC2=CC=CC=C12 16218 [0,0,0,1,0,0|1,0,1]=3 55 B10R2.320 OC1CC2=CC=CC=C21 16154 [0,0,0,1,0,0|1,0,0]=2 56 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [0,0,0,1,0,0|0,0,1]=2 57 B7R1.3 IC1=CC=CC=C1 102614 [2,0,0,0,0,0|1,0,0]=3 58 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [2,0,0,0,0,0|2,0,0]=4 59 B9R0.2 C=C(C)\C=C\C=C\CCC 102643 [0,1,1,0,0,0|1,0,0]=3 60 B9R0.45 C\C=C\C=C/C=C/CCC 102629 [0,1,1,0,0,0|1,0,0]=3 61 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [1,1,0,0,0,0|1,0,0]=3 62 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.2 CNC1=CC=CC(F)=N1 101262 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.2 COC1=CC=CC(F)=N1 102386 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [1,1,0,0,0,0|0,0,0]=2 68 B9R1.2 NCC1=CC=CC(N)=C1 102876 [1,1,0,0,0,0|0,0,0]=2 69 B9R1.2 NNC1=CC=NC(F)=C1 103017 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [1,1,0,0,0,0|0,0,1]=3 71 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [1,1,0,0,0,0|0,0,1]=3 72 B9R1.6 NC(=S)C1=CC=CN=C1 20784 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.15 CC1=C(CO)C=NC=C1 15752 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.15 CC1=CC=CC=C1CCl 16097 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,1,0,0,0,0|0,0,0]=2 77 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.12 CCCCC1=CSC=C1 19189 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.1 CC1=CC=C(C[Se]C#N)C=C1 20013 [0,2,0,0,0,0|0,0,2]=4 81 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.1 N#C[Se]CC1=CC=C(Br)C=C1 20022 [0,2,0,0,0,0|0,0,2]=4 86 B11R1.1 N#C[Se]CC1=CC=C(F)C=C1 20018 [0,2,0,0,0,0|0,0,2]=4 87 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 532 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [0,2,0,0,0,0|1,0,1]=4 90 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.22 CC1=CC=C(C(C)CBr)C=C1 102694 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.22 FC(CBr)C1=CC=C(Cl)C=C1 100184 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.81 CNCC1=CC=C(Cl)C=C1O 19425 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.17 CC1=CC=CC=C1COC=O 16773 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.17 CC1=CC=CC=C1CSC#N 16772 [0,2,0,0,0,0|0,0,2]=4 96 B11R1.17 COCOC1=C(F)C=CC=C1 100829 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.17 COCOC1=CC=CC=C1Cl 102905 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.41 CCC1=CC=CC=C1CNC 102275 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.86 NC1=C(OC(F)F)C=CC=C1 10011 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [0,2,0,0,0,0|1,0,1]=4 101 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl 101175 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.24 COCOC1=CC(Cl)=CC=C1 102909 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.24 COCOC1=CC(F)=CC=C1 102899 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [0,2,0,0,0,0|1,0,1]=4 109 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.189 COC1=CC=CC(CCO)=C1 21814 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.7 CC(F)(C#N)C1=CC=CC=C1 100861 [0,2,0,0,0,0|0,0,2]=4 112 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 102659 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.16 C=CCC(O)C1=CC=CC=C1 19554 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [0,2,0,0,0,0|0,0,2]=4 115 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [0,2,0,0,0,0|1,0,0]=3 116 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 19771 [0,2,0,0,0,0|0,0,1]=3 118 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 102534 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.36 [NH3+]C(C(=O)O)C1=CC=CC=C1 102467 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [0,2,0,0,0,0|1,0,0]=3 121 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.91 O=S([O-])NCC1=CC=CC=C1 102536 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 20763 [0,2,0,0,0,0|2,0,0]=4 129 B9R2.50 C1=CC=C2CCC2=C1 16437 [1,0,0,1,0,0|0,0,0]=2 130 B9R2.50 C1=CCC2=C(C1)CC2 16438 [1,0,0,1,0,0|0,0,2]=4 131 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [0,1,0,1,0,0|1,0,1]=4 132 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,1,0,1,0,0|1,0,1]=4 133 B11R2.10 CC1=NC2=CC=CC=C2N1 11720 [0,1,0,1,0,0|1,0,1]=4 134 B11R2.10 NC1=NC2=CC=CC=C2N1 500 [0,1,0,1,0,0|1,0,1]=4 135 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [0,1,0,1,0,0|1,0,1]=4 136 B11R2.10 SC1=NC2=C(C=CC=C2)N1 520 [0,1,0,1,0,0|1,0,1]=4 137 B11R2.20 C1=CC2=C(CCCC2)N=C1 20737 [0,1,0,1,0,0|2,0,0]=4 138 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [0,1,0,1,0,0|1,0,1]=4 139 B11R2.104 CC1=C2CC(=O)C2=CC=C1 16220 [0,1,0,1,0,0|1,0,1]=4 140 B11R2.988 C=CC1CC2=CC=CC=C21 16578 [0,1,0,1,0,0|1,0,0]=3 141 B11R2.988 N#CC1CC2=CC=CC=C21 16577 [0,1,0,1,0,0|0,0,1]=3 142 B11R2.988 ON=C1CC2=CC=CC=C21 16706 [0,1,0,1,0,0|0,0,2]=4 143 B11R2.363 CC1=CC=C2C(=O)CC2=C1 16221 [0,1,0,1,0,0|1,0,1]=4 144 B11R2.468 O=C1CC2=CC=CC(Br)=C12 16263 [0,1,0,1,0,0|1,0,1]=4 145 B11R2.468 O=C1CC2=CC=CC(Cl)=C12 16262 [0,1,0,1,0,0|1,0,1]=4 146 B11R2.468 O=C1CC2=CC=CC(F)=C12 16261 [0,1,0,1,0,0|1,0,1]=4 147 B11R2.468 OC1CC2=CC=CC(F)=C21 16158 [0,1,0,1,0,0|1,0,0]=3 148 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [0,1,0,1,0,0|1,0,1]=4 149 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [0,1,0,1,0,0|1,0,1]=4 150 B11R2.1 [N-]=[N+]1ONC2=CC=CC=C21 22285 [0,1,0,1,0,0|2,0,0]=4 151 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [0,1,0,1,0,0|1,0,1]=4 152 B11R2.59 CC1(C)CC2=CC=CC=C21 16581 [0,1,0,1,0,0|1,0,0]=3 153 B11R2.59 CC1(O)CC2=CC=CC=C21 16426 [0,1,0,1,0,0|1,0,0]=3 154 B11R2.59 ClC1(Cl)CC2=CC=CC=C21 16569 [0,1,0,1,0,0|1,0,0]=3 155 B11R2.59 [2H]C1(O)CC2=CC=CC=C21 16155 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.1 C[Se]C1=CSC=C1 19191 [1,0,0,0,1,0|2,0,0]=4 157 B7R1.1 NCC1=CN=CN1 21313 [1,0,0,0,1,0|2,0,0]=4