0 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 BrC1=NC=NC=C1 080310 [1,0,0,0,0,0|3,0,0]=4 2 B7R1.3 N[N+]1=CC=CC=C1 184347 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.3 N[N+]1=NC=CC=C1 102270 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.2 CCC1=CC(C)=CN=C1 180046 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.2 C[N+]1=CC(C#N)=CC=C1 181002 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.8 CCOC1=CC=CN=C1 180053 [0,1,0,0,0,0|1,1,0]=3 10 B9R1.8 CNCC1=NC=CC=N1 076808 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.8 O=C=NC1=CC=CN=C1 022077 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.8 S=C=NC1=NC=CC=C1 101031 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.15 C#CC1=CC=CC=C1O 222906 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.15 CCC1=C(F)C=CC=C1 037698 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.15 NCC1=CC=CC=C1Cl 209763 [0,1,0,0,0,0|2,0,0]=3 17 B6R1.1 C1=CC=[NH+]C=C1 180458 [2,0,0,0,0,0|1,0,0]=3 18 B8R1.3 CC1=CC=[N+](C)C=C1 180824 [1,1,0,0,0,0|1,0,0]=3 19 B8R1.3 CC1=CN=C(O)C=N1 077046 [1,1,0,0,0,0|2,0,0]=4 20 B8R1.3 CC1=NC=C(O)C=N1 077095 [1,1,0,0,0,0|2,0,0]=4 21 B8R1.3 SC1=CC=C(S)N=N1 180154 [1,1,0,0,0,0|2,0,0]=4 22 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [1,1,0,0,0,0|1,0,0]=3 23 B8R1.4 C[N+]1=CC(Cl)=NC=C1 181726 [1,1,0,0,0,0|2,0,0]=4 24 B8R1.4 C[N+]1=CC(I)=CC=C1 189774 [1,1,0,0,0,0|1,0,0]=3 25 B8R1.4 C[N+]1=CC=CC(N)=C1 181312 [1,1,0,0,0,0|1,0,0]=3 26 B8R1.4 [2H]C1=CC(Br)=CC=C1 043268 [1,1,0,0,0,0|1,0,0]=3 27 B8R1.4 [O-][N+]1=CC(I)=CC=C1 188698 [1,1,0,0,0,0|1,1,0]=4 28 B8R1.5 CN1C=CC=NC1=S 099218 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.7 CC([NH3+])C1=CC=CS1 031057 [0,1,0,0,1,0|2,0,0]=4 30 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [0,2,0,0,0,0|2,0,0]=4 31 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 032678 [0,2,0,0,0,0|2,0,0]=4 32 B10R1.13 CN(C)C1=NC=C(Br)C=C1 093291 [0,2,0,0,0,0|2,0,0]=4 33 B10R1.25 C#CC1=CC=C(Cl)C=C1F 046009 [0,2,0,0,0,0|1,0,1]=4 34 B10R1.25 C#CC1=CC=C(N)C=C1F 045991 [0,2,0,0,0,0|1,0,1]=4 35 B10R1.25 COC1=C(Br)C=C(S)C=C1 038040 [0,2,0,0,0,0|0,1,0]=3 36 B10R1.25 COC1=C(Cl)C=C(S)C=C1 038033 [0,2,0,0,0,0|0,1,0]=3 37 B10R1.25 COC1=C(S)C=C(Br)C=C1 038041 [0,2,0,0,0,0|0,1,0]=3 38 B10R1.25 COC1=CC=C(F)C=C1I 075745 [0,2,0,0,0,0|0,1,0]=3 39 B10R1.25 COC1=CC=C(S)C=C1C 038027 [0,2,0,0,0,0|0,1,0]=3 40 B10R1.25 COC1=CC=C(S)C=C1F 023073 [0,2,0,0,0,0|0,1,0]=3 41 B10R1.25 CSC1=C(Cl)C=C(Cl)C=C1 019344 [0,2,0,0,0,0|0,0,0]=2 42 B10R1.25 FC1=CC(F)=C(CS)C=C1 024358 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [0,2,0,0,0,0|0,1,0]=3 45 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [0,2,0,0,0,0|0,1,0]=3 46 B10R1.176 [C-]#[N+]C1=CC(Cl)=C(F)C=C1 021227 [0,2,0,0,0,0|1,0,1]=4 47 B10R1.2 CC1=C(F)C=CC=C1CBr 342591 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [0,2,0,0,0,0|1,0,0]=3 49 B10R1.2 CNC1=CC=CC(F)=C1F 045885 [0,2,0,0,0,0|1,0,0]=3 50 B10R1.2 COC1=C(Cl)C(F)=CC=C1 038293 [0,2,0,0,0,0|0,1,0]=3 51 B10R1.2 COC1=CC=CC(F)=C1S 043182 [0,2,0,0,0,0|0,1,0]=3 52 B10R1.2 N#CC1=C(Cl)C(Br)=CC=C1 062766 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.2 N#CC1=CC=CC(Cl)=C1Br 038274 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.8 CC1=CC(CN)=CC(Cl)=C1 062796 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 037651 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.8 CCC1=CC(Br)=CC(C)=C1 038642 [0,2,0,0,0,0|1,0,0]=3 57 B10R1.8 N#CC1=CC(Br)=CC(I)=C1 037743 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.8 NCC1=CC(N)=CC(F)=C1 075972 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [0,2,0,0,0,0|1,0,1]=4 60 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.10 CCCC1=CC(N)=NC=C1 024686 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [0,2,0,0,0,0|0,0,0]=2 63 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [0,2,0,0,0,0|0,0,0]=2 64 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [0,2,0,0,0,0|1,0,0]=3 65 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [0,2,0,0,0,0|1,0,1]=4 66 B10R1.10 [N-]=[N+]=NC1=CC(Cl)=CC=C1 101265 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.30 C#CC1=CC(F)=CC=C1F 046033 [0,2,0,0,0,0|1,0,1]=4 68 B10R1.30 CC1=C(C#N)C=C(S)C=C1 098553 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.30 CC1=C(CO)C=C(Br)C=C1 403122 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.30 COC1=CC(C)=CC=C1I 038666 [0,2,0,0,0,0|0,1,0]=3 72 B10R1.30 CSC1=CC(C)=NN=C1C 189294 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.30 FC1=CC(CS)=C(F)C=C1 024359 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.30 N#CC1=CC(F)=CC=C1I 240068 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.30 OCC1=CC(Br)=CC=C1Br 229556 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [0,2,0,0,0,0|1,0,0]=3 80 B10R1.15 OC(CF)c1ccccc1 195755 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.28 CC(F)(F)C1=CC=NC=C1 038381 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.28 CC(F)(F)C1=CN=CC=C1 038382 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.28 CC(F)(F)C1=NC=CC=C1 038380 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.4 N#CSC1=C(Br)C=CC=C1 005336 [0,2,0,0,0,0|0,0,1]=3 87 B10R1.4 [O-][N+]1=CC=CC=C1CCO 180119 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.17 CCCCC1=CC=CC=N1 180367 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.17 N#CCCC1=CC=NC=C1 024695 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.17 NCCOC1=CN=CC=C1 044845 [0,2,0,0,0,0|1,1,0]=4 91 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [0,2,0,0,0,0|1,0,1]=4 92 B10R1.18 CN(C)CC1=CC=CN=C1 024691 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.20 CCC1=CC=CC=C1CBr 246564 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.245 C#CC1=C(C)C=CC=C1C 046041 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.245 COC1=C(I)C=CC=C1C 038816 [0,2,0,0,0,0|0,1,0]=3 96 B10R2.6 C1=CC(C2CC2)=CC=N1 024707 [0,1,0,1,0,0|2,0,0]=4 97 B10R2.7 C1=CC2=C(C=C1)[N-]N=N2 180580 [0,1,0,1,0,0|2,0,0]=4