0 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [0,0,0,0,0,0|1,1,1]=3 1 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.10 CCCC1=CC(N)=NC=C1 024686 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.10 [N-]=[N+]=NC1=CC(Cl)=CC=C1 101265 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.2 CCC1=CC(C)=CN=C1 180046 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 CCOC1=CC=CN=C1 180053 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.24 CC1=CC=CC(SCCO)=C1 019400 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.24 CCCCC1=NC(F)=CC=C1 094605 [0,1,0,0,0,0|2,1,0]=4 15 B11R1.24 CCCSC1=CC(C)=CC=C1 094817 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.24 CCCSC1=CC(Cl)=CC=C1 095027 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.24 CCCSC1=CC=CC(Br)=C1 094806 [0,1,0,0,0,0|1,1,0]=3 18 B11R1.24 COCCC1=NC=CC(C)=C1 180192 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.24 N#CCSC1=CC(Br)=CC=C1 098213 [0,1,0,0,0,0|0,1,2]=4 20 B11R1.24 NCCOC1=CC=CC(F)=C1 059229 [0,1,0,0,0,0|0,1,0]=2 21 B11R1.34 CC1=CC(C)=NC(CCO)=C1 180194 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.157 CC1=CC=CC(SC(C)C)=C1 094880 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.157 NC(=O)CC1=CC(F)=CC=C1 102220 [0,1,0,0,0,0|0,1,1]=3 24 B11R1.157 O=C(O)C[N+]1=CC(Cl)=CC=C1 182512 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.182 CCOC1=C(I)C=CC(Br)=C1 038699 [0,1,0,0,0,0|2,1,0]=4 26 B11R1.182 CCSC1=C(C)C=CC(C)=C1 094808 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.182 CCSC1=C(Cl)C=CC(Cl)=C1 095076 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.189 CCSC1=CC(OC)=CC=C1 094566 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.189 N#CC1=CC=CC(CCO)=C1 220542 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 098318 [0,1,0,0,0,0|2,1,0]=4 31 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 211586 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.192 CCSC1=CC(Cl)=C(Cl)C=C1 094568 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 070560 [0,1,0,0,0,0|0,1,0]=2 34 B11R2.35 CC1=NC=CC(C2CC2)=C1 188394 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.36 CC1=CC2=C(C=C1)NN=C2 079331 [0,0,0,1,0,0|2,0,1]=4 36 B11R2.36 FC1=CC=C2NN=CC2=C1 032776 [0,0,0,1,0,0|1,1,1]=4 37 B11R2.106 ClC1=NC=CC2=C1NN=C2 209137 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.33 CN1C=CN=C1CCN 311105 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.4 C[N+]1=CC(Cl)=NC=C1 181726 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.4 C[N+]1=CC(I)=CC=C1 189774 [2,0,0,0,0,0|1,1,0]=4 41 B8R1.4 C[N+]1=CC=CC(N)=C1 181312 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.4 [2H]C1=CC(Br)=CC=C1 043268 [2,0,0,0,0,0|1,1,0]=4 43 B10R1.2 CC1=C(F)C=CC=C1CBr 342591 [1,1,0,0,0,0|1,1,0]=4 44 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.2 CNC1=CC=CC(F)=C1F 045885 [1,1,0,0,0,0|1,1,0]=4 46 B10R1.2 COC1=C(Cl)C(F)=CC=C1 038293 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.2 COC1=CC=CC(F)=C1S 043182 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.2 N#CC1=CC=CC(Cl)=C1Br 038274 [1,1,0,0,0,0|0,0,2]=4 49 B10R1.8 CC1=CC(CN)=CC(Cl)=C1 062796 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 037651 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.8 CCC1=CC(Br)=CC(C)=C1 038642 [1,1,0,0,0,0|0,1,0]=3 52 B10R1.8 NCC1=CC(N)=CC(F)=C1 075972 [1,1,0,0,0,0|0,1,0]=3 53 B10R1.30 CC1=C(CO)C=C(Br)C=C1 403122 [1,1,0,0,0,0|1,1,0]=4 54 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [1,1,0,0,0,0|0,1,0]=3 55 B10R1.30 COC1=CC(C)=CC=C1I 038666 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.30 FC1=CC(CS)=C(F)C=C1 024359 [1,1,0,0,0,0|1,1,0]=4 57 B10R1.30 OCC1=CC(Br)=CC=C1Br 229556 [1,1,0,0,0,0|1,1,0]=4 58 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [1,1,0,0,0,0|1,1,0]=4 60 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.176 [C-]#[N+]C1=CC(Cl)=C(F)C=C1 021227 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.4 [O-][N+]1=CC=CC=C1CCO 180119 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.17 CCCCC1=CC=CC=N1 180367 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.17 N#CCCC1=CC=NC=C1 024695 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.17 NCCOC1=CN=CC=C1 044845 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [1,1,0,0,0,0|0,0,2]=4 72 B12R1.25 CC1=CC=CC(OCCN)=C1C 059191 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.28 COCCSC1=CC(C)=CC=C1 094815 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.28 COCCSC1=CC=CC(Br)=C1 094826 [0,2,0,0,0,0|1,1,0]=4 75 B12R1.50 CC1=CC(C\C(N)=N\O)=CC=C1 098050 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.50 CCC(C)OC1=CC=CC(Br)=C1 097851 [0,2,0,0,0,0|1,1,0]=4 77 B12R1.50 CNC(=O)CC1=CC(Cl)=CC=C1 105123 [0,2,0,0,0,0|0,0,1]=3 78 B12R1.100 CC1=CC(C)=CC(OCCN)=C1 042083 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.100 CC1=CC(C)=CC(SCCO)=C1 019385 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.385 CC1=CC(OCCN)=CC=C1Cl 059188 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.19 NC(=O)CC1=CC(F)=C(F)C=C1 102662 [0,2,0,0,0,0|0,1,1]=4 82 B12R1.119 FC(F)(F)CC1=CC(Cl)=CC=C1 099295 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.127 CC(C)OC1=C(F)C=CC(Cl)=C1 097736 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 242528 [0,2,0,0,0,0|1,0,0]=3 85 B10R2.6 C1=CC(C2CC2)=CC=N1 024707 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.246 ClC1=CC2=C(NN=C2)C(I)=C1 104958 [0,1,0,1,0,0|1,0,1]=4 87 B12R2.606 NC1=NC2=C(C=CC(Cl)=C2)N1 015424 [0,1,0,1,0,0|1,0,1]=4