0 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 O=CC1=CCCOC1 036040 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 BrC1=NC=NC=C1 080310 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.3 N[N+]1=CC=CC=C1 184347 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.3 N[N+]1=NC=CC=C1 102270 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 CCC1=CC(C)=CN=C1 180046 [0,1,0,0,0,0|2,0,1]=4 6 B9R1.2 C[N+]1=CC(C#N)=CC=C1 181002 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [0,1,0,0,0,0|1,0,2]=4 8 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.8 CCOC1=CC=CN=C1 180053 [0,1,0,0,0,0|2,0,1]=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|1,0,1]=3 13 B9R1.8 S=C=NC1=NC=CC=C1 101031 [0,1,0,0,0,0|1,1,1]=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|1,0,1]=3 16 B9R1.15 NCC1=CC=CC=C1Cl 209763 [0,1,0,0,0,0|1,0,1]=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|1,0,1]=4 19 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [1,1,0,0,0,0|1,0,0]=3 20 B8R1.4 C[N+]1=CC(I)=CC=C1 189774 [1,1,0,0,0,0|1,0,1]=4 21 B8R1.4 C[N+]1=CC=CC(N)=C1 181312 [1,1,0,0,0,0|1,0,1]=4 22 B8R1.4 NC1=CC(=O)NN=C1 208636 [1,1,0,0,0,0|2,0,0]=4 23 B8R1.4 [2H]C1=CC(Br)=CC=C1 043268 [1,1,0,0,0,0|1,0,0]=3 24 B8R1.4 [O-][N+]1=CC(I)=CC=C1 188698 [1,1,0,0,0,0|1,0,1]=4 25 B8R1.7 O=[N+]([O-])C1=CNC=C1 161200 [0,1,0,0,1,0|2,0,0]=4 26 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 038318 [0,2,0,0,0,0|1,1,0]=4 27 B10R1.25 C#CC1=CC=C(Cl)C=C1F 046009 [0,2,0,0,0,0|1,0,1]=4 28 B10R1.25 C#CC1=CC=C(N)C=C1F 045991 [0,2,0,0,0,0|1,0,1]=4 29 B10R1.25 COC1=C(Br)C=C(S)C=C1 038040 [0,2,0,0,0,0|2,0,0]=4 30 B10R1.25 COC1=C(Cl)C=C(S)C=C1 038033 [0,2,0,0,0,0|2,0,0]=4 31 B10R1.25 COC1=C(S)C=C(Br)C=C1 038041 [0,2,0,0,0,0|2,0,0]=4 32 B10R1.25 COC1=CC=C(F)C=C1I 075745 [0,2,0,0,0,0|2,0,0]=4 33 B10R1.25 COC1=CC=C(S)C=C1C 038027 [0,2,0,0,0,0|2,0,0]=4 34 B10R1.25 COC1=CC=C(S)C=C1F 023073 [0,2,0,0,0,0|2,0,0]=4 35 B10R1.25 CSC1=C(Cl)C=C(Cl)C=C1 019344 [0,2,0,0,0,0|2,0,0]=4 36 B10R1.25 FC1=CC(F)=C(CS)C=C1 024358 [0,2,0,0,0,0|0,1,1]=4 37 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [0,2,0,0,0,0|0,0,0]=2 38 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [0,2,0,0,0,0|2,0,0]=4 39 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [0,2,0,0,0,0|2,0,0]=4 40 B10R1.176 [C-]#[N+]C1=CC(Cl)=C(F)C=C1 021227 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.2 CC1=C(F)C=CC=C1CBr 342591 [0,2,0,0,0,0|1,0,1]=4 42 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [0,2,0,0,0,0|1,0,1]=4 43 B10R1.2 CNC1=CC=CC(F)=C1F 045885 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.2 COC1=C(Cl)C(F)=CC=C1 038293 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.2 COC1=CC=CC(F)=C1S 043182 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.2 N#CC1=C(Cl)C(Br)=CC=C1 062766 [0,2,0,0,0,0|1,0,1]=4 47 B10R1.2 N#CC1=CC=CC(Cl)=C1Br 038274 [0,2,0,0,0,0|1,0,1]=4 48 B10R1.8 CC1=CC(CN)=CC(Cl)=C1 062796 [0,2,0,0,0,0|1,0,1]=4 49 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 037651 [0,2,0,0,0,0|0,0,0]=2 50 B10R1.8 CCC1=CC(Br)=CC(C)=C1 038642 [0,2,0,0,0,0|1,0,1]=4 51 B10R1.8 N#CC1=CC(Br)=CC(I)=C1 037743 [0,2,0,0,0,0|1,0,1]=4 52 B10R1.8 NCC1=CC(N)=CC(F)=C1 075972 [0,2,0,0,0,0|1,0,1]=4 53 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 023566 [0,2,0,0,0,0|1,0,0]=3 54 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [0,2,0,0,0,0|1,0,0]=3 55 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [0,2,0,0,0,0|1,0,1]=4 56 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [0,2,0,0,0,0|1,0,1]=4 58 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [0,2,0,0,0,0|1,0,1]=4 59 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [0,2,0,0,0,0|1,0,1]=4 60 B10R1.10 [N-]=[N+]=NC1=CC(Cl)=CC=C1 101265 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.30 C#CC1=CC(F)=CC=C1F 046033 [0,2,0,0,0,0|1,0,1]=4 62 B10R1.30 CC1=C(C#N)C=C(S)C=C1 098553 [0,2,0,0,0,0|1,0,1]=4 63 B10R1.30 CC1=C(CO)C=C(Br)C=C1 403122 [0,2,0,0,0,0|0,0,2]=4 64 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [0,2,0,0,0,0|1,0,1]=4 65 B10R1.30 COC1=CC(C)=CC=C1I 038666 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.30 FC1=CC(CS)=C(F)C=C1 024359 [0,2,0,0,0,0|0,1,1]=4 67 B10R1.30 N#CC1=CC(F)=CC=C1I 240068 [0,2,0,0,0,0|1,0,1]=4 68 B10R1.30 NC1=C(C=O)C=C(Cl)C=N1 046567 [0,2,0,0,0,0|1,0,0]=3 69 B10R1.30 OCC1=CC(Br)=CC=C1Br 229556 [0,2,0,0,0,0|0,0,2]=4 70 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.113 C[N+]1=CC(C(=O)O)=NC=C1 188697 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.113 C[N+]1=CC(C(N)=O)=NC=C1 181871 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.113 C[N+]1=CC([N+](=O)[O-])=CC=C1 181886 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.113 NC1=NC=CC([N+](=O)[O-])=C1 092373 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 094451 [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|1,0,1]=4 78 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [0,2,0,0,0,0|0,0,1]=3 79 B10R1.15 OC(CF)c1ccccc1 195755 [0,2,0,0,0,0|0,0,2]=4 80 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [0,2,0,0,0,0|1,0,1]=4 81 B10R1.61 O=C(Cl)C1=CC=CN=C1F 066676 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [0,2,0,0,0,0|1,0,1]=4 83 B10R1.4 N#CSC1=C(Br)C=CC=C1 005336 [0,2,0,0,0,0|1,0,1]=4 84 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [0,2,0,0,0,0|0,0,1]=3 85 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.20 CCC1=CC=CC=C1CBr 246564 [0,2,0,0,0,0|1,0,1]=4 88 B10R1.245 C#CC1=C(C)C=CC=C1C 046041 [0,2,0,0,0,0|1,0,1]=4 89 B10R1.245 COC1=C(I)C=CC=C1C 038816 [0,2,0,0,0,0|2,0,0]=4 90 B10R2.7 C1=CC2=C(C=C1)[N-]N=N2 180580 [0,1,0,1,0,0|2,0,0]=4