0 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.5 OC1=CC=CN=C1F ACI-01438 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 ClC1=CC=CN=N1 ACI-04746 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.3 NC1=CC=NC=N1 ACI-03852 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.3 OC1=CC=CN=N1 ACI-04745 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.3 CC1=C(Br)C=CC=C1S ACI-02417 [0,1,0,0,0,0|0,1,0]=2 7 B9R1.3 CC1=C(N)C(Cl)=NC=C1 ACI-00862 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.3 CC1=CC=CC(Br)=C1S ACI-04004 [0,1,0,0,0,0|0,1,0]=2 9 B9R1.3 CC1=NC=NC(Cl)=C1Br ACI-06420 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.3 CC1=NC=NC(O)=C1Br ACI-06419 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.3 FC1=C(Br)C=CC=C1S ACI-02552 [0,1,0,0,0,0|1,1,0]=3 12 B9R1.3 FC1=CC=CC(Br)=C1S ACI-02556 [0,1,0,0,0,0|1,1,0]=3 13 B9R1.3 FC1=CC=CC(S)=C1Br ACI-02562 [0,1,0,0,0,0|1,1,0]=3 14 B9R1.3 NC1=C(Cl)C=NC=C1Cl ACI-00378 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.3 OC1=C(Br)C=NC=C1Br ACI-01235 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.3 OC1=NN=CC(Cl)=C1Cl ACI-01356 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.15 CC1=C(C#N)C=CN=C1 ACI-02495 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [0,1,0,0,0,0|0,0,0]=1 20 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [0,1,0,0,0,0|0,0,0]=1 26 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.69 CC1=C(Cl)N=NC(Cl)=C1 RJC-03C-001 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.69 CC1=C(O)N=NC(O)=C1 ACI-04737 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [0,1,0,0,0,0|1,1,0]=3 34 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [0,1,0,0,0,0|1,1,0]=3 38 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.69 CC1=CN=C(Cl)N=C1Cl ACI-01013 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.69 FC1=CC(Br)=CC=C1S ACI-02559 [0,1,0,0,0,0|1,1,0]=3 46 B9R1.69 FC1=CC(Br)=CN=C1I ACI-04370 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.69 FC1=CC(S)=CC=C1Br ACI-02581 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.69 FC1=CC=C(Br)C(S)=C1 ACI-02557 [0,1,0,0,0,0|1,1,0]=3 49 B9R1.69 FC1=CC=C(Br)C=C1S ACI-02554 [0,1,0,0,0,0|1,1,0]=3 50 B9R1.69 FC1=CC=C(S)C(Br)=C1 ACI-02564 [0,1,0,0,0,0|1,1,0]=3 51 B9R1.69 FC1=CC=C(S)C=C1Br ACI-02567 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.69 NC1=C(Cl)C=C(F)C=C1 ACI-04608 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06271 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06273 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [0,1,0,0,0,0|1,0,0]=2 56 B9R1.69 NC1=CC(Cl)=CN=C1Cl ACI-00248 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.69 NC1=CC=C(Br)C=C1N ACI-01651 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.69 NC1=CC=C(Br)C=C1S ACI-04794 [0,1,0,0,0,0|1,1,0]=3 59 B9R1.69 NC1=CC=C(Cl)C=C1S ACI-04793 [0,1,0,0,0,0|1,1,0]=3 60 B9R1.69 NC1=CC=C(I)C=C1N ACI-01596 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.69 NC1=NC=C(Br)C=C1F JL-15A-001 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.4 CC1=C(Br)SN=C1 ACI-NI-00748 [0,0,0,0,1,0|3,0,0]=4 66 B7R1.4 CC1=NSC=C1Br ACI-NI-00720 [0,0,0,0,1,0|3,0,0]=4 67 B7R1.4 CC1=NSC=C1N ACI-NI-00743 [0,0,0,0,1,0|3,0,0]=4 68 B7R1.4 CN1N=CC=C1N RH-05E-001 [0,0,0,0,1,0|3,0,0]=4 69 B7R1.4 ClC1=C(Br)SC=C1 ACI-02394 [0,0,0,0,1,0|3,0,0]=4 70 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [1,1,0,0,0,0|1,0,0]=3 71 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [1,1,0,0,0,0|1,0,0]=3 73 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [1,1,0,0,0,0|1,0,0]=3 74 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 ACI-03814 [1,1,0,0,0,0|1,0,1]=4 76 B8R1.3 [O-][N+]1=CC=C(Cl)C=C1 ACI-00998 [1,1,0,0,0,0|1,0,1]=4 77 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [1,1,0,0,0,0|1,0,0]=3 79 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [1,1,0,0,0,0|1,0,0]=3 81 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.11 CC1=C(CN)C=CO1 JM-10L-001 [0,1,0,0,1,0|2,0,0]=4 90 B8R1.11 CC1=C(CN)SC=C1 ACI-04730 [0,1,0,0,1,0|2,0,0]=4 91 B8R1.11 CC1=C(CO)NN=C1 ACI-04855 [0,1,0,0,1,0|2,0,0]=4 92 B8R1.11 CC1=C(CO)OC=C1 ACI-02282 [0,1,0,0,1,0|1,0,0]=3 93 B8R1.11 CC1=C(CO)ON=C1 ACI-04859 [0,1,0,0,1,0|2,0,0]=4 94 B8R1.11 CC1=C(CO)SC=N1 ACI-00573 [0,1,0,0,1,0|2,0,0]=4 95 B8R1.11 OCC1=C(Br)SC=C1 RH-08D-002 [0,1,0,0,1,0|2,0,0]=4 96 B8R1.18 CC1=C(Cl)SC(Cl)=C1 ACI-04717 [0,1,0,0,1,0|2,0,0]=4 97 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.2 CC1=C(F)C=CC=C1NN ACI-04206 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [0,2,0,0,0,0|1,0,0]=3 100 B10R1.2 FC1=C(I)C=CC=C1CBr ACI-05616 [0,2,0,0,0,0|1,0,0]=3 101 B10R1.2 FC1=CC=CC(CBr)=C1Cl ACI-04692 [0,2,0,0,0,0|1,0,0]=3 102 B10R1.2 N#CC1=CC=CC(I)=C1F ACI-06372 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.2 NNC1=C(F)C(F)=CC=C1 ACI-04091 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 ACI-04691 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.2 OCC1=C(F)C(I)=CC=C1 ACI-05609 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.22 CC1=CC(O)=CC(C)=C1I JM-03B-001 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.22 NC1=C(F)C=C(Br)C=C1O ACI-05591 [0,2,0,0,0,0|1,0,0]=3 108 B10R1.22 NC1=CC(Cl)=CC(Cl)=C1O ACI-00885 [0,2,0,0,0,0|1,0,0]=3 109 B10R1.119 CC1=C(F)C(N)=C(F)C=C1 ACI-02223 [0,2,0,0,0,0|1,0,0]=3 110 B10R1.245 CC1=C(C#N)C(Cl)=NC=C1 ACI-01637 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.245 CC1=C(C#N)C(O)=NC=C1 ACI-01407 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.245 CC1=CC=CC(Cl)=C1NN ACI-04089 [0,2,0,0,0,0|1,0,0]=3 113 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [0,2,0,0,0,0|0,0,1]=3 116 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 FD-10E-004 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.25 CC1=C(NN)C=CC(F)=C1 ACI-04083 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [0,2,0,0,0,0|1,0,1]=4 119 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=N1 ACI-04829 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.25 ClCC1=NC=C(Cl)C=C1Cl JL-12E-002 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.25 FC1=CC(F)=C(CCl)N=C1 ACI-04826 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.25 NNC1=C(Br)C=C(F)C=C1 ACI-02453 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 ACI-03975 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.25 NNC1=CC=C(F)C=C1F ACI-00273 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 ACI-04830 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.25 OCC1=C(F)C=C(F)C=N1 ACI-04827 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [0,2,0,0,0,0|0,0,0]=2 131 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 ACI-04081 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.30 CC1=CC(NN)=C(Br)C=C1 ACI-04079 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [0,2,0,0,0,0|1,0,0]=3 135 B10R1.30 ClC1=CC=C(I)C=C1CBr ACI-05612 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.30 ClC1=CN=C(Cl)C(CBr)=C1 ACI-02220 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.30 ClCC1=CC(Cl)=CN=C1Cl ACI-00224 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.30 N#CC1=CC(F)=CC=C1O ACI-02301 [0,2,0,0,0,0|0,0,1]=3 139 B10R1.30 NNC1=C(Br)C=CC(Cl)=C1 ACI-04196 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.30 NNC1=C(Br)C=CC(F)=C1 ACI-04076 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 ACI-04195 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.30 NNC1=CC(Cl)=CC=C1F ACI-03974 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.30 O=CC1=CC(Cl)=CC=C1F ACI-00824 [0,2,0,0,0,0|1,0,1]=4 144 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [0,2,0,0,0,0|1,0,0]=3 146 B10R1.30 OCC1=CC(Br)=CN=C1Cl ACI-00198 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.30 OCC1=CC(Cl)=CN=C1Cl ACI-00223 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [0,2,0,0,0,0|1,0,1]=4 149 B10R1.61 CC1=CC=CN=C1C(=N)N ACI-02503 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [0,2,0,0,0,0|1,0,1]=4 151 B10R1.61 CC1=CN=CC=C1C(=N)N ACI-02506 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.61 CC1=NC=CN=C1C(=O)O ACI-02629 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [0,2,0,0,0,0|1,0,1]=4 155 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [0,2,0,0,0,0|1,0,1]=4 156 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [0,2,0,0,0,0|1,0,1]=4 158 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [0,2,0,0,0,0|1,0,1]=4 159 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,2,0,0,0,0|1,0,1]=4 162 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,2,0,0,0,0|1,0,1]=4 164 B10R1.118 CC1=C(C)C=C(N)C(N)=C1 ACI-05880 [0,2,0,0,0,0|1,0,0]=3 165 B10R1.118 NC1=CC(Br)=C(Br)C=C1N ACI-02627 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.118 NC1=CC(F)=C(F)C=C1N ACI-01648 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [0,2,0,0,0,0|1,0,0]=3 168 B10R1.176 CC1=CC(NN)=CC=C1Cl FD-10E-001 [0,2,0,0,0,0|1,0,0]=3 169 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [0,2,0,0,0,0|1,0,0]=3 170 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [0,2,0,0,0,0|2,0,0]=4 171 B10R1.176 N#CC1=CC=C(N)C(Cl)=C1 ACI-00365 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [0,2,0,0,0,0|2,0,0]=4 173 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [0,0,1,1,0,0|2,0,0]=4 174 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [0,0,1,1,0,0|2,0,0]=4 175 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,1,0|2,0,0]=4 176 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,1,0|2,0,0]=4 177 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,1,0|2,0,0]=4 178 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,1,0|2,0,0]=4 179 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,1,0|2,0,0]=4 180 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,1,0|2,0,0]=4