0 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 038318 [0,1,0,0,0,0|2,1,0]=4 3 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [0,1,0,0,0,0|2,0,0]=3 4 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [0,1,0,0,0,0|1,0,0]=2 5 B10R1.15 OC(CF)c1ccccc1 195755 [0,1,0,0,0,0|1,0,1]=3 6 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.61 O=C(Cl)C1=CC=CN=C1F 066676 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.113 C[N+]1=CC(C(=O)O)=NC=C1 188697 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.113 C[N+]1=CC(C(N)=O)=NC=C1 181871 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.113 C[N+]1=CC([N+](=O)[O-])=CC=C1 181886 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.113 NC1=NC=CC([N+](=O)[O-])=C1 092373 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 094451 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(O)C1C=CCO1 040022 [0,0,0,0,1,0|1,0,2]=4 16 B8R1.7 O=[N+]([O-])C1=CNC=C1 161200 [0,0,0,0,1,0|2,0,1]=4 17 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [0,0,0,0,0,1|1,0,0]=2 18 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [0,0,0,0,0,1|1,0,1]=3 19 B7R1.3 N[N+]1=CC=CC=C1 184347 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [1,1,0,0,0,0|1,0,1]=4 21 B9R1.8 O=C=NC1=CC=CN=C1 022077 [1,1,0,0,0,0|1,0,1]=4 22 B9R1.15 C#CC1=CC=CC=C1O 222906 [1,1,0,0,0,0|1,0,1]=4 23 B9R1.15 CCC1=C(F)C=CC=C1 037698 [1,1,0,0,0,0|1,0,1]=4 24 B9R1.15 NCC1=CC=CC=C1Cl 209763 [1,1,0,0,0,0|1,0,1]=4 25 B9R1.11 N\C(=N/O)C1=CC=CN1 097985 [0,1,0,0,1,0|2,0,0]=4 26 B9R1.11 O=C(CCl)C1=CC=CS1 015347 [0,1,0,0,1,0|2,0,0]=4 27 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,1,0,0,0,1|2,0,0]=4 28 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [0,1,0,0,0,1|1,0,0]=3 29 B11R1.36 CC(C(=O)Cl)C1=CC=CC=C1 014722 [0,1,0,0,0,1|1,0,0]=3 30 B11R1.86 CC(=O)NC1=[N+]([O-])C=CC=C1 180201 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.157 NC(=O)CC1=CC(F)=CC=C1 102220 [0,1,0,0,0,1|1,0,0]=3 32 B11R1.157 O=C(O)C[N+]1=CC(Cl)=CC=C1 182512 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.3 N=C(N)C1=CC=C(CN)C=C1 011383 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 181236 [0,2,0,0,0,0|1,0,1]=4 35 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 181734 [0,2,0,0,0,0|1,0,1]=4 36 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 182742 [0,2,0,0,0,0|1,0,1]=4 37 B11R1.19 CC1=CC=C(S([NH-])(=O)=O)C=C1 180620 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 097861 [0,2,0,0,0,0|1,1,0]=4 39 B11R1.21 CC1=C(I)C=CC(C(=O)Cl)=C1 103960 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.21 NC(=O)C1=CC=C(Cl)C(I)=C1 050135 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.21 O=C(Cl)C1=CC(I)=C(Cl)C=C1 103976 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.21 O=C(Cl)C1=CC=C(Cl)C(Br)=C1 038136 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 062790 [0,2,0,0,0,0|1,0,0]=3 45 B11R1.166 CC1=CC(Br)=C(C(=O)Cl)C=C1 062786 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.166 CS(=O)C1=C(F)C=C(F)C=C1 064546 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 039336 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Br 467171 [0,2,0,0,0,0|1,0,0]=3 49 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl 011135 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.166 O=C(Cl)C1=C(Br)C=C(Br)C=C1 062655 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.166 O=C(Cl)C1=C(Cl)C=C(Br)C=C1 038129 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.166 O=C(Cl)C1=C(F)C=C(I)C=C1 103809 [0,2,0,0,0,0|1,0,0]=3 53 B11R1.166 O=C(Cl)C1=CC=C(F)C=C1Br 038137 [0,2,0,0,0,0|1,0,0]=3 54 B11R1.7 OCC(F)(F)C1=CC=CC=C1 246466 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.12 O\N=C(\CCl)C1=CC=CC=C1 180348 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.16 C=C(CCO)C1=CC=NC=C1 180182 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.16 C\C(=C/CO)C1=NC=CC=C1 099298 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.222 COC(=O)C1=NC=CC=C1N 066881 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=C1 033411 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.155 CC1=CC=CC(S(C)(=O)=O)=C1 019379 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.156 CC(O)C1=C(F)C=CC=C1F 033750 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 070200 [0,2,0,0,0,0|1,0,0]=3 63 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1Br 038139 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.159 CC1=C(C(=O)Cl)C=CC=C1Cl 062740 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1Br 062785 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.159 NC(=O)C1=C(N)C(Cl)=CC=C1 094026 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.159 O=C(Cl)C1=C(Br)C(F)=CC=C1 062706 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.159 O=C(Cl)C1=C(Cl)C(F)=CC=C1 038156 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.159 O=[N+]([O-])C1=C(I)C(Br)=CC=C1 223317 [0,2,0,0,0,0|1,0,1]=4 70 B11R1.167 CC1=C(B(O)O)C=C(N)C=C1 102571 [0,2,0,0,0,0|1,0,1]=4 71 B11R1.167 CC1=CC(C(=O)Cl)=C(Br)C=C1 062787 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.167 CC1=CC(C(N)=O)=C(Cl)C=C1 094064 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.167 CC1=CC=C(Cl)C(C(=O)Cl)=C1 062748 [0,2,0,0,0,0|1,0,0]=3 74 B11R1.167 NC(=O)C1=C(Cl)C=CC(I)=C1 104006 [0,2,0,0,0,0|1,0,0]=3 75 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 104007 [0,2,0,0,0,0|1,0,0]=3 76 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(I)=C1 038159 [0,2,0,0,0,0|1,0,0]=3 77 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 246343 [0,2,0,0,0,0|1,0,0]=3 78 B11R1.167 O=C(Cl)C1=C(I)C=CC(Cl)=C1 103977 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1F 038143 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 209062 [0,2,0,0,0,0|1,0,0]=3 81 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Br)=C1 038166 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 038165 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.266 COC1=CC(S(=O)[O-])=CC=C1 045961 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.266 CO[N+]1=CC(C(=O)O)=CC=C1 181676 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.266 CO[N+]1=CC(C(N)=O)=CC=C1 181646 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.266 N=C(N)C1=CC(CN)=CC=C1 011382 [0,2,0,0,0,0|2,0,0]=4 87 B11R2.1 BrC1=NNC2=C1C=CC=C2 079923 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.91 O=C(O)CNC1=CC=CC=[NH+]1 180553 [0,0,0,0,0,2|1,0,0]=3