0 B7R1.3 BrC1=NC=NC=C1 080310 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 N[N+]1=CC=CC=C1 184347 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 N[N+]1=NC=CC=C1 102270 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.1 C1=CC=[NH+]C=C1 180458 [1,0,0,0,0,0|0,0,1]=2 4 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [0,1,0,0,0,0|3,0,0]=4 5 B8R1.3 CC1=CC=[N+](C)C=C1 180824 [0,1,0,0,0,0|1,0,1]=3 6 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.4 C[N+]1=CC(Cl)=NC=C1 181726 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.4 C[N+]1=CC(I)=CC=C1 189774 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.4 C[N+]1=CC=CC(N)=C1 181312 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.4 NC1=CC(=O)NN=C1 208636 [0,1,0,0,0,0|1,0,1]=3 11 B8R1.4 NC1=NC(Br)=CN=C1 076762 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.4 [2H]C1=CC(Br)=CC=C1 043268 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.4 [O-][N+]1=CC(I)=CC=C1 188698 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.5 OC1=C(Cl)C=NN=C1 324534 [0,1,0,0,0,0|2,0,0]=3 15 B6R1.2 OC1=NN=CS1 313117 [0,0,0,0,1,0|3,0,0]=4 16 B5R0.1 NC(=O)\C=C\Cl 180013 [1,0,1,0,0,0|2,0,0]=4 17 B7R1.1 NCC1=CSC=N1 358537 [0,1,0,0,1,0|2,0,0]=4 18 B7R1.2 CC1=CC=C([Mg+])S1 399696 [0,1,0,0,1,0|2,0,0]=4 19 B7R1.2 CC1=CN(C)C=N1 075144 [0,1,0,0,1,0|2,0,0]=4 20 B7R1.4 CC1=NN=CN1N 044059 [0,1,0,0,1,0|2,0,0]=4 21 B7R1.4 CN1C=NN=C1N 324197 [0,1,0,0,1,0|2,0,0]=4 22 B7R1.4 NC1=NNC=C1Cl 030482 [0,1,0,0,1,0|1,0,1]=4 23 B9R1.15 C#CC1=CC=CC=C1O 222906 [0,2,0,0,0,0|2,0,0]=4 24 B9R1.15 CCC1=C(F)C=CC=C1 037698 [0,2,0,0,0,0|2,0,0]=4 25 B9R1.15 NCC1=CC=CC=C1Cl 209763 [0,2,0,0,0,0|1,0,0]=3 26 B9R1.69 CC1=C(S)C=CC(Br)=C1 037981 [0,2,0,0,0,0|2,0,0]=4 27 B9R1.69 CC1=C(S)C=CC(F)=C1 023130 [0,2,0,0,0,0|2,0,0]=4 28 B9R1.69 CC1=CC(C)=[N+]([O-])C=C1 032556 [0,2,0,0,0,0|1,0,1]=4 29 B9R1.69 CC1=CC(Cl)=C(S)C=C1 070834 [0,2,0,0,0,0|2,0,0]=4 30 B9R1.69 CC1=CC(S)=C(Br)C=C1 037984 [0,2,0,0,0,0|2,0,0]=4 31 B9R1.69 CC1=CC(S)=C(F)C=C1 037942 [0,2,0,0,0,0|2,0,0]=4 32 B9R1.69 CC1=CC=C(C)C(N)=N1 032657 [0,2,0,0,0,0|2,0,0]=4 33 B9R1.69 CC1=CC=C(S)C=C1F 023072 [0,2,0,0,0,0|2,0,0]=4 34 B9R1.69 CC1=CC=[N+](C)C=C1C 032583 [0,2,0,0,0,0|1,0,1]=4 35 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 037509 [0,2,0,0,0,0|2,0,0]=4 36 B9R1.69 FC1=C(Br)C=C(Br)N=C1 069670 [0,2,0,0,0,0|1,0,0]=3 37 B9R1.69 FC1=C(S)C=C(Br)C=C1 037911 [0,2,0,0,0,0|2,0,0]=4 38 B9R1.69 FC1=C(S)C=C(Cl)C=C1 037933 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.69 FC1=C(S)C=CC(Cl)=C1 037930 [0,2,0,0,0,0|2,0,0]=4 40 B9R1.69 FC1=CN=C(F)C=C1Br 069648 [0,2,0,0,0,0|1,0,0]=3 41 B9R1.69 NC1=NC=C(Br)C=C1F 077452 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.69 OC1=CC=C(I)C(F)=C1 226296 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.69 SC1=C(Br)C=C(Br)C=C1 037937 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.69 SC1=C(Br)C=C(Cl)C=C1 061712 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.69 SC1=C(Br)C=CC(Cl)=C1 062559 [0,2,0,0,0,0|2,0,0]=4 46 B9R1.69 SC1=C(Cl)C=C(Br)C=C1 037897 [0,2,0,0,0,0|2,0,0]=4 47 B9R1.69 SC1=C(Cl)C=CC(Br)=C1 037979 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.69 SC1=CC(Br)=CC=C1Br 038020 [0,2,0,0,0,0|2,0,0]=4 49 B9R1.69 SC1=CC(Cl)=C(Br)C=C1 037898 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.69 SC1=CC=C(Cl)C(Br)=C1 061642 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.3 CC1=C(Br)C=CC=C1S 061645 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.3 CC1=C(C)C(Br)=NC=C1 335456 [0,2,0,0,0,0|1,0,0]=3 53 B9R1.3 CC1=C(C)C(N)=NC=C1 208701 [0,2,0,0,0,0|1,0,0]=3 54 B9R1.3 CC1=C(I)C(Br)=CC=C1 038624 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.3 CC1=CC=CC(S)=C1Br 061615 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.3 FC1=C(Br)C=CN=C1Cl 069663 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.3 FC1=C(I)C(Cl)=NC=C1 069653 [0,2,0,0,0,0|1,0,0]=3 58 B9R1.3 FC1=C(S)C=CC=C1Cl 037929 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.3 FC1=CC=CC(Cl)=C1S 037927 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.3 FC1=CC=CC(F)=C1S 037939 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.3 FC1=CC=CC(I)=C1Br 043102 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.3 FC1=CC=CC(S)=C1Cl 038015 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.3 FC1=CC=CC(S)=C1F 061702 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.3 FC1=NC=CC(Br)=C1F 069642 [0,2,0,0,0,0|1,0,0]=3 65 B9R1.3 OC1=CC=CC(I)=C1Cl 319868 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.34 CC1=CC(C)=NC(I)=N1 438023 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.34 CC1=CC(C)=[O+]C(C)=C1 181073 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.34 CC1=CC(Cl)=CC(I)=C1 070851 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.34 FC1=CC(S)=CC(Br)=C1 062577 [0,2,0,0,0,0|2,0,0]=4 70 B5R1.1 C1=CN[NH+]=C1 180087 [1,0,0,0,1,0|1,0,1]=4