0 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 ClC1=NN=C(I)C=C1 ACI-00522 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 ACI-03814 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.3 [O-][N+]1=CC=C(Cl)C=C1 ACI-00998 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 ClC1=CC=CN=N1 ACI-04746 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.3 NC1=CC=NC=N1 ACI-03852 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.3 OC1=CC=CN=N1 ACI-04745 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.1 N#CC1=CC=C(Cl)N=C1 ACI-NI-00401 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.1 N#CC1=NC=C(F)C=C1 ACI-00992 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.1 NCC1=NC=C(Cl)C=N1 ACI-02636 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [0,1,0,0,0,0|0,1,0]=2 26 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.69 CC1=C(O)N=NC(O)=C1 ACI-04737 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [0,1,0,0,0,0|0,1,0]=2 29 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [0,1,0,0,0,0|1,1,0]=3 31 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.69 CC1=CN=C(Cl)N=C1Cl ACI-01013 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.69 FC1=CC(Br)=CC=C1S ACI-02559 [0,1,0,0,0,0|1,1,0]=3 41 B9R1.69 FC1=CC(Br)=CN=C1I ACI-04370 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.69 FC1=CC(S)=CC=C1Br ACI-02581 [0,1,0,0,0,0|1,1,0]=3 43 B9R1.69 FC1=CC=C(Br)C(S)=C1 ACI-02557 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.69 FC1=CC=C(Br)C=C1S ACI-02554 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.69 FC1=CC=C(S)C(Br)=C1 ACI-02564 [0,1,0,0,0,0|1,1,0]=3 46 B9R1.69 FC1=CC=C(S)C=C1Br ACI-02567 [0,1,0,0,0,0|1,1,0]=3 47 B9R1.69 NC1=C(Cl)C=C(F)C=C1 ACI-04608 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06271 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06273 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.69 NC1=CC(Cl)=CN=C1Cl ACI-00248 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.69 NC1=CC=C(Br)C=C1N ACI-01651 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.69 NC1=CC=C(Br)C=C1S ACI-04794 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.69 NC1=CC=C(Cl)C=C1S ACI-04793 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.69 NC1=CC=C(I)C=C1N ACI-01596 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.69 NC1=NC=C(Br)C=C1F JL-15A-001 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [0,0,0,0,1,0|3,0,0]=4 61 B7R1.2 CC1=COC(N)=N1 ACI-00543 [0,0,0,0,1,0|3,0,0]=4 62 B7R1.2 CC1=CSC(N)=N1 RJC-04J-001 [0,0,0,0,1,0|3,0,0]=4 63 B7R1.2 CC1=NSC(Br)=C1 ACI-00534 [0,0,0,0,1,0|3,0,0]=4 64 B7R1.2 CC1=NSC(I)=C1 ACI-NI-00723 [0,0,0,0,1,0|3,0,0]=4 65 B7R1.2 CC1=NSC(N)=C1 ACI-00530 [0,0,0,0,1,0|3,0,0]=4 66 B7R1.2 CN1C=C(Cl)C=N1 ACI-01463 [0,0,0,0,1,0|3,0,0]=4 67 B7R1.2 CN1C=C(N)C=N1 ACI-03790 [0,0,0,0,1,0|3,0,0]=4 68 B7R1.2 CN1C=CC(Cl)=N1 ACI-02549 [0,0,0,0,1,0|3,0,0]=4 69 B7R1.2 CN1C=CC(N)=N1 ACI-00344 [0,0,0,0,1,0|3,0,0]=4 70 B7R1.2 O=C1CC(O)=CO1 JM-02K-001 [0,0,0,0,1,0|2,0,1]=4 71 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [1,1,0,0,0,0|1,0,0]=3 75 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,1,0,0,0,0|1,0,0]=3 88 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [0,1,0,0,1,0|2,0,0]=4 89 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [0,1,0,0,1,0|2,0,0]=4 90 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [0,1,0,0,1,0|2,0,0]=4 91 B8R1.18 CC1=C(Cl)SC(Cl)=C1 ACI-04717 [0,1,0,0,1,0|2,0,0]=4 92 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [0,2,0,0,0,0|0,0,1]=3 95 B10R1.3 N#CC1=CC=C(CBr)N=C1 ACI-00463 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.3 N#CC1=CC=C(CO)N=C1 ACI-04982 [0,2,0,0,0,0|1,0,1]=4 97 B10R1.3 N#CC1=NC=C(CBr)C=C1 SB-02B-001 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [0,2,0,0,0,0|0,0,1]=3 99 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [0,2,0,0,0,0|0,0,0]=2 100 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,2,0,0,0,0|1,0,0]=3 103 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,2,0,0,0,0|1,0,1]=4 105 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,2,0,0,0,0|1,0,1]=4 109 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,2,0,0,0,0|1,0,1]=4 110 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,2,0,0,0,0|1,0,1]=4 111 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.13 NC(=S)C1=CN=C(O)C=C1 SB-16B-002 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 FD-10E-004 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.25 CC1=C(NN)C=CC(F)=C1 ACI-04083 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 ACI-01441 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.25 CC1=CN=C(C#N)C(N)=C1 ACI-00449 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=N1 ACI-04829 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.25 ClCC1=NC=C(Cl)C=C1Cl JL-12E-002 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.25 FC1=CC(F)=C(CCl)N=C1 ACI-04826 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.25 NNC1=C(Br)C=C(F)C=C1 ACI-02453 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 ACI-03975 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.25 NNC1=CC=C(F)C=C1F ACI-00273 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 ACI-04830 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.25 OCC1=C(F)C=C(F)C=N1 ACI-04827 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [0,2,0,0,0,0|0,0,0]=2 135 B10R1.176 CC1=CC(NN)=CC=C1Cl FD-10E-001 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [0,2,0,0,0,0|1,0,0]=3 137 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [0,2,0,0,0,0|1,0,0]=3 138 B10R1.176 ClCC1=CC(Cl)=C(Cl)N=C1 RH-10J-001 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.176 N#CC1=CC=C(N)C(Cl)=C1 ACI-00365 [0,2,0,0,0,0|1,0,1]=4 140 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [0,2,0,0,0,0|1,0,0]=3 141 B10R1.22 CC1=CC(O)=CC(C)=C1I JM-03B-001 [0,2,0,0,0,0|1,0,0]=3 142 B10R1.22 NC1=C(F)C=C(Br)C=C1O ACI-05591 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.22 NC1=CC(Cl)=CC(Cl)=C1O ACI-00885 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 ACI-04081 [0,2,0,0,0,0|1,0,0]=3 146 B10R1.30 CC1=CC(NN)=C(Br)C=C1 ACI-04079 [0,2,0,0,0,0|1,0,0]=3 147 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.30 CC1=CN=C(N)C(C#N)=C1 ACI-00409 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.30 CC1=CN=C(S)C(C#N)=C1 ACI-00237 [0,2,0,0,0,0|1,1,0]=4 150 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.30 ClC1=CC=C(I)C=C1CBr ACI-05612 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.30 N#CC1=CC(F)=CC=C1O ACI-02301 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.30 NNC1=C(Br)C=CC(Cl)=C1 ACI-04196 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.30 NNC1=C(Br)C=CC(F)=C1 ACI-04076 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 ACI-04195 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.30 NNC1=CC(Cl)=CC=C1F ACI-03974 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.30 O=CC1=CC(Cl)=CC=C1F ACI-00824 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.118 CC1=C(C)C=C(N)C(N)=C1 ACI-05880 [0,2,0,0,0,0|1,0,0]=3 161 B10R1.118 NC1=CC(Br)=C(Br)C=C1N ACI-02627 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.118 NC1=CC(F)=C(F)C=C1N ACI-01648 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.119 CC1=C(F)C(N)=C(F)C=C1 ACI-02223 [0,2,0,0,0,0|1,0,0]=3 164 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,1,0|2,0,0]=4 165 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,1,0|2,0,0]=4 166 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,1,0|2,0,0]=4 167 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,1,0|2,0,0]=4 168 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,1,0|2,0,0]=4 169 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,1,0|2,0,0]=4