0 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 038318 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.3 N=C(N)C1=CC=C(CN)C=C1 011383 [0,1,0,0,0,0|2,0,0]=3 2 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 181236 [0,1,0,0,0,0|2,0,1]=4 3 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 181734 [0,1,0,0,0,0|2,0,1]=4 4 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 182742 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.19 CC1=CC=C(S([NH-])(=O)=O)C=C1 180620 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 097861 [0,1,0,0,0,0|2,1,0]=4 7 B11R1.21 CC1=C(I)C=CC(C(=O)Cl)=C1 103960 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.21 NC(=O)C1=CC=C(Cl)C(I)=C1 050135 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.21 O=C(Cl)C1=CC(I)=C(Cl)C=C1 103976 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.21 O=C(Cl)C1=CC=C(Cl)C(Br)=C1 038136 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 062790 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.166 CC1=CC(Br)=C(C(=O)Cl)C=C1 062786 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.166 CS(=O)C1=C(F)C=C(F)C=C1 064546 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 039336 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Br 467171 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl 011135 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.166 O=C(Cl)C1=C(Br)C=C(Br)C=C1 062655 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.166 O=C(Cl)C1=C(Cl)C=C(Br)C=C1 038129 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.166 O=C(Cl)C1=C(F)C=C(I)C=C1 103809 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.166 O=C(Cl)C1=CC=C(F)C=C1Br 038137 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [0,0,0,0,0,1|2,0,0]=3 24 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.25 C#CC1=CC=C(N)C=C1F 045991 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.61 O=C(Cl)C1=CC=CN=C1F 066676 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.113 C[N+]1=CC(C(=O)O)=NC=C1 188697 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 094451 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.14 COC(=O)C1=CC=C(Cl)S1 323671 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 059281 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 217857 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.19 NC(=O)CC1=CC(F)=C(F)C=C1 102662 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.49 CNC(=O)CC1=CC=C(F)C=C1 102257 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.106 O=P(O)(O)CC1=CC=C(Cl)C=C1 180810 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.233 NC(=O)CC1=C(F)C=C(Cl)C=C1 102743 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.233 NC(=O)NC1=C(F)C=C(Br)C=C1 432428 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1F 070168 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 216655 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 391882 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 014688 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.256 O=C(O)C1=CC=C(C(F)F)N=C1 075121 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.23 NC1=NC=C(S(=O)(=O)O)C=C1Br 024650 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.56 COC1=C(C)C=CC(C(=O)Cl)=C1 020643 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 210016 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.232 CC1=C(C(=O)O)C=C(Br)C(F)=C1 097663 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.232 CC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 037615 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1Br 070827 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1C 044221 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.232 CC1=CC(Cl)=C(C)C=C1C(=O)O 037482 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.232 O=C(O)C1=C(Br)C=C(Cl)C(I)=C1 038739 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(Cl)=C1 069702 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.367 CC1=C(F)C=CC(C(=O)CBr)=C1 064662 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.367 CNC(=O)C1=CC(F)=C(F)C=C1 102183 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 078733 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.893 CC(=O)C1=C(O)C(F)=C(F)C=C1 046461 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F 037605 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.893 O=C(O)C1=CC=C(F)C(Br)=C1F 070698 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(F)=C1 037525 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 037597 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.1005 O=C(O)C1=CC(I)=C(F)C(I)=C1 050128 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 022389 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.16 O=C\C=C(/Cl)C1=CC=C(Cl)C=C1 020001 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.1703 CNC(=O)C1=C(Br)C=C(Cl)C=C1 103535 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.1703 CNC(=O)C1=C(F)C=C(C)C=C1 104543 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.1703 CNC(=O)C1=C(F)C=C(F)C=C1 102155 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br 218279 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.1703 C\C(=N\O)C1=CC=C(Cl)C=C1Cl 075984 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.57 CCC1=C(C(=O)O)C=CC(Br)=C1 069431 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(C)=C1 102221 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(C)=N1 029212 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.1000 O=C(O)C1=C(F)C=C(I)C=C1F 037586 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [1,0,0,0,0,1|1,0,0]=3 80 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [1,0,0,0,0,1|1,0,1]=4 81 B12R1.21 NC(=O)\C=C\C1=CC=C(F)C=C1 102676 [0,0,0,0,0,2|2,0,0]=4 82 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 093009 [0,0,0,0,0,2|0,0,0]=2 83 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 086592 [0,0,0,0,0,2|1,0,0]=3