0 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.1 O\N=CC1=CC=C(Br)C=C1 20648 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.1 O\N=CC1=CC=C(C)C=C1 20713 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 19845 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.1 O\N=C\C1=CC=C(O)C=C1 15709 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 22278 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 COCC1=CC=CC=C1 102522 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 NCCC1=CC=CC=C1 11614 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 NCCC1=CC=CC=C1 12328 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.1 CC1=CC=C(C[Se]C#N)C=C1 20013 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.1 N#C[Se]CC1=CC=C(Br)C=C1 20022 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.1 N#C[Se]CC1=CC=C(F)C=C1 20018 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 15704 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.20 N(C(C)=O)C1=NC=C(Cl)C=C1 20662 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 532 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.22 CC1=CC=C(C(C)CBr)C=C1 102694 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.22 FC(CBr)C1=CC=C(Cl)C=C1 100184 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.81 CNCC1=CC=C(Cl)C=C1O 19425 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.83 O\N=C/C1=CC=C(OC)C=C1 20664 [0,1,0,0,0,0|1,0,2]=4 38 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [0,0,0,1,0,0|2,0,0]=3 39 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,0,0,1,0,0|0,0,0]=1 40 B8R0.4 C=C\C=C\C=C\CCC 102625 [1,0,1,0,0,0|1,0,1]=4 41 B8R1.2 NCC1=NC=CC=C1 21601 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.3 BrCC1=CC=C(CBr)C=C1 11611 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.3 COC1=CC=C(C=O)C=C1 15415 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.3 COC1=CC=C(CN)C=C1 13748 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.3 O=CC1=CC=C(C=O)C=C1 15842 [1,1,0,0,0,0|0,0,1]=3 47 B10R1.3 O=CC1=CC=C(CBr)C=C1 22181 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 20768 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.25 CC1=CC=C(CCl)C(C)=C1 16098 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.25 O=CC1=CC=C(F)N=C1F 100271 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.176 O=CC1=CC=C(Cl)C(Cl)=C1 15845 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.4 CC1=CC=CC=C1NC=O 20052 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.10 N#CCC1=CC=CC(F)=C1 102623 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.15 CC(C#N)C1=CC=CC=C1 14750 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.15 OCC(O)C1=CC=CC=C1 731 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.17 O=CNNC1=CC=CC=C1 16370 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,1,0,0,0,0|0,0,0]=2 80 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 15265 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 17096 [0,2,0,0,0,0|1,0,1]=4 82 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.49 CSC(S)=NC1=CC=C(C)C=C1 21456 [0,2,0,0,0,0|1,1,0]=4 84 B12R1.69 CC1=CC(C)=C(C[Se]C#N)C=C1 20024 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.71 C=C\C=C\C1=CC=C(OC)C=C1 100513 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.71 COC1=CC=C(C[Se]C#N)C=C1 20015 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.4 C=CC1=CC=C(NC(C)=O)C=C1 13490 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 17114 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.4 N(C(C)=O)C1=CC=C(OC)N=C1 20381 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 17118 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 17125 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 12756 [0,2,0,0,0,0|0,0,0]=2 93 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 17105 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O 20859 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C 17120 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1O 20863 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.233 N(C(C)=O)C1=C(Cl)C=C(Br)C=C1 20543 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.9 CCC(C)(O)C1=CC=C(C)C=C1 12623 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.116 BrCCC1=CC=C(CCBr)C=C1 10802 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.116 ClCCC1=CC=C(CCCl)C=C1 10801 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.116 ICCC1=CC=C(CCI)C=C1 10803 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.116 N#CCC1=CC=C(CC#N)C=C1 11612 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.116 NCCC1=CC=C(CCN)C=C1 11616 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.116 NCCC1=CC=C(CCN)C=C1 12034 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.288 COC1=C(O)C=C(CCN)C=C1 15339 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.288 COC1=C(O)C=C(CCN)C=C1 15348 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.288 COC1=C(O)C=C(CC[NH3+])C=C1 15347 [0,2,0,0,0,0|1,0,1]=4 108 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|1,0,1]=4 109 B10R2.320 ClC1CC2=CC=CC=C21 16435 [1,0,0,1,0,0|1,0,1]=4 110 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|0,0,0]=2 111 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,1,0,0|0,0,2]=4 112 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [1,0,0,1,0,0|1,0,1]=4 113 B12R2.326 COC1=CC=C2CC(=O)C2=C1 16234 [0,1,0,1,0,0|0,0,0]=2