0 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.69 CC1=C(O)N=NC(O)=C1 ACI-04737 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [0,0,0,0,0,0|1,2,0]=3 6 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [0,0,0,0,0,0|3,1,0]=4 11 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 FC1=CC(Br)=CC=C1S ACI-02559 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 FC1=CC(Br)=CN=C1I ACI-04370 [0,0,0,0,0,0|3,1,0]=4 16 B9R1.69 FC1=CC(S)=CC=C1Br ACI-02581 [0,0,0,0,0,0|1,2,0]=3 17 B9R1.69 FC1=CC=C(Br)C(S)=C1 ACI-02557 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.69 FC1=CC=C(Br)C=C1S ACI-02554 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.69 FC1=CC=C(S)C(Br)=C1 ACI-02564 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.69 FC1=CC=C(S)C=C1Br ACI-02567 [0,0,0,0,0,0|1,1,0]=2 21 B9R1.69 FC1=CN=C(Cl)N=C1Cl ACI-01012 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 NC1=C(Cl)C=C(F)C=C1 ACI-04608 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06271 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06273 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.69 NC1=CC(Cl)=CN=C1Cl ACI-00248 [0,0,0,0,0,0|2,1,0]=3 27 B9R1.69 NC1=CC=C(Br)C=C1N ACI-01651 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.69 NC1=CC=C(Br)C=C1S ACI-04794 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.69 NC1=CC=C(Cl)C=C1S ACI-04793 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.69 NC1=CC=C(I)C=C1N ACI-01596 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.69 NC1=NC=C(Br)C=C1F JL-15A-001 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [1,0,0,0,0,0|2,1,0]=4 36 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 ACI-03814 [1,0,0,0,0,0|1,1,1]=4 39 B8R1.3 [O-][N+]1=CC=C(Cl)C=C1 ACI-00998 [1,0,0,0,0,0|1,1,1]=4 40 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [1,0,0,0,0,0|2,1,0]=4 51 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,0,0,0,0,0|1,1,0]=3 52 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.22 CC1=CC(O)=CC(C)=C1I JM-03B-001 [0,1,0,0,0,0|1,1,0]=3 54 B10R1.22 NC1=C(F)C=C(Br)C=C1O ACI-05591 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.22 NC1=CC(Cl)=CC(Cl)=C1O ACI-00885 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 FD-10E-004 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.25 CC1=C(NN)C=CC(F)=C1 ACI-04083 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.25 CC1=CN=C(C#N)C(N)=C1 ACI-00449 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.25 NNC1=C(Br)C=C(F)C=C1 ACI-02453 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 ACI-03975 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.25 NNC1=CC=C(F)C=C1F ACI-00273 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 ACI-04081 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.30 CC1=CC(NN)=C(Br)C=C1 ACI-04079 [0,1,0,0,0,0|1,1,0]=3 65 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.30 ClC1=CC=C(I)C=C1CBr ACI-05612 [0,1,0,0,0,0|2,1,0]=4 68 B10R1.30 N#CC1=CC(F)=CC=C1O ACI-02301 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.30 NNC1=C(Br)C=CC(Cl)=C1 ACI-04196 [0,1,0,0,0,0|1,1,0]=3 70 B10R1.30 NNC1=C(Br)C=CC(F)=C1 ACI-04076 [0,1,0,0,0,0|1,1,0]=3 71 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 ACI-04195 [0,1,0,0,0,0|1,1,0]=3 72 B10R1.30 NNC1=CC(Cl)=CC=C1F ACI-03974 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.30 O=CC1=CC(Cl)=CC=C1F ACI-00824 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [0,1,0,0,0,0|2,1,0]=4 75 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.118 CC1=C(C)C=C(N)C(N)=C1 ACI-05880 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.118 NC1=CC(Br)=C(Br)C=C1N ACI-02627 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.118 NC1=CC(F)=C(F)C=C1N ACI-01648 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.119 CC1=C(F)C(N)=C(F)C=C1 ACI-02223 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.176 CC1=CC(NN)=CC=C1Cl FD-10E-001 [0,1,0,0,0,0|2,1,0]=4 82 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [0,1,0,0,0,0|2,1,0]=4 84 B10R1.176 N#CC1=CC=C(N)C(Cl)=C1 ACI-00365 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [0,1,0,0,0,0|1,1,0]=3 86 B7R1.3 NC1=CC=NC=N1 ACI-03852 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.3 OC1=CC=CN=N1 ACI-04745 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,1,0,0,0,0|0,1,0]=3 90 B9R1.1 N#CC1=NC=C(F)C=C1 ACI-00992 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,1,0,0,0,0|1,1,0]=4 93 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [1,1,0,0,0,0|1,1,0]=4 94 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [1,1,0,0,0,0|1,1,0]=4 95 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.3 CC1=C(Br)C=CC=C1S ACI-02417 [1,1,0,0,0,0|1,1,0]=4 99 B9R1.3 CC1=CC=CC(Br)=C1S ACI-04004 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.3 FC1=C(Br)C=CC=C1S ACI-02552 [1,1,0,0,0,0|1,1,0]=4 101 B9R1.3 FC1=CC=CC(Br)=C1S ACI-02556 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.3 FC1=CC=CC(S)=C1Br ACI-02562 [1,1,0,0,0,0|1,1,0]=4 103 B9R1.34 CC1=CC(S)=CC(Br)=C1 ACI-02421 [1,1,0,0,0,0|1,1,0]=4 104 B9R1.34 FC1=CC(Br)=CC(S)=C1 ACI-02565 [1,1,0,0,0,0|1,1,0]=4 105 B9R1.34 FC1=CC(Cl)=CC(S)=C1 ACI-04611 [1,1,0,0,0,0|1,1,0]=4 106 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 ACI-00384 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.34 SC1=CC(Br)=CC(Cl)=C1 ACI-02425 [1,1,0,0,0,0|1,1,0]=4 108 B9R1.34 SC1=CC(S)=CC(S)=C1 JM-11J-004 [1,1,0,0,0,0|1,1,0]=4 109 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,1,0,0,0,0|1,0,0]=3 111 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,1,0,0,0,0|1,1,0]=4 112 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.8 CNC1=CC(Br)=CC(F)=C1N JL-15J-002 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.32 NC1=C(Cl)C(Cl)=C(Cl)C=C1Cl SB-10A-001 [0,2,0,0,0,0|1,1,0]=4 115 B11R1.279 COC1=CC=C(NN)C(C)=C1 ACI-04726 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 ACI-03948 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.167 NC(=O)C1=C(F)C=CC(Cl)=C1 ACI-03958 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.167 NC(=O)C1=CC(Br)=CC=C1Cl ACI-05398 [0,2,0,0,0,0|1,1,0]=4 120 B11R1.167 O=C(Cl)C1=C(F)C=CC(Cl)=C1 ACI-03970 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(O)=C1 ACI-06427a [0,2,0,0,0,0|1,0,1]=4 122 B11R1.280 COC1=CC(NN)=C(Cl)C=C1 FD-10E-005 [0,2,0,0,0,0|0,1,0]=3 123 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.21 N=C(N)C1=CC(F)=C(F)C=C1 ACI-01052 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.192 O\N=C\C1=CC=C(Cl)C(Cl)=C1 ACI-01692 [0,2,0,0,0,0|1,1,0]=4 127 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [0,1,0,1,0,0|2,0,0]=4