0 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 FD-10E-004 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.25 CC1=C(NN)C=CC(F)=C1 ACI-04083 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 ACI-01441 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.25 CC1=CN=C(C#N)C(N)=C1 ACI-00449 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.25 COC1=C(N)C=C(Cl)N=N1 RH-15J-001 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.25 COC1=NN=C(N)C=C1Cl JM-12G-001 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.25 NNC1=C(Br)C=C(F)C=C1 ACI-02453 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 ACI-03975 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.25 NNC1=CC=C(F)C=C1F ACI-00273 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 CC1=C(C#N)C=CN=C1 ACI-02495 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 CC1=C(O)N=NC(O)=C1 ACI-04737 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [1,0,0,0,0,0|1,1,0]=3 30 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 FC1=CC(Br)=CC=C1S ACI-02559 [1,0,0,0,0,0|2,1,0]=4 41 B9R1.69 FC1=CC(S)=CC=C1Br ACI-02581 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 FC1=CC=C(Br)C(S)=C1 ACI-02557 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 FC1=CC=C(Br)C=C1S ACI-02554 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 FC1=CC=C(S)C(Br)=C1 ACI-02564 [1,0,0,0,0,0|2,1,0]=4 45 B9R1.69 FC1=CC=C(S)C=C1Br ACI-02567 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 NC1=C(Cl)C=C(F)C=C1 ACI-04608 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.69 NC1=CC=C(Br)C=C1N ACI-01651 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.69 NC1=CC=C(Br)C=C1S ACI-04794 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.69 NC1=CC=C(Cl)C=C1S ACI-04793 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.69 NC1=CC=C(I)C=C1N ACI-01596 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 ACI-03944 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.166 CC1=C(C(=O)Cl)C=CC(Br)=C1 ACI-03965 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 ACI-06402 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.278 CC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05529 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.279 COC1=CC=C(NN)C(C)=C1 ACI-04726 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.464 CC1=CC(C)=C(C#N)C(Cl)=N1 WS-01E-003 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.464 CC1=CC(C)=C(C#N)C(S)=N1 ACI-NI-00180 [0,1,0,0,0,0|3,0,0]=4 66 B11R2.36 NC1=CC2=C(C=C1)OC=C2 ACI-05788 [0,0,0,1,0,0|1,0,2]=4 67 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 OC1=CC=CN=C1F ACI-01438 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.2 CC1=C(F)C=CC=C1NN ACI-04206 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 ACI-04081 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,1,0,0,0,0|1,1,0]=4 89 B10R1.245 CC1=CC=CC(Cl)=C1NN ACI-04089 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.22 CC1=CC(O)=CC(C)=C1I JM-03B-001 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.22 NC1=CC(Cl)=CC(Cl)=C1O ACI-00885 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.118 CC1=C(C)C=C(N)C(N)=C1 ACI-05880 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.119 CC1=C(F)C(N)=C(F)C=C1 ACI-02223 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.234 COC1=C(C=O)C=C(Br)C=C1F ACI-02723 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.234 COC1=C(CO)C=C(Br)C=C1F ACI-02724 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.69 CC1=CC(Br)=C(SCCO)C=C1 ACI-02407 [0,2,0,0,0,0|1,1,0]=4 97 B12R1.233 CC(=O)CC1=C(C)C=C(Cl)C=C1 ACI-05056 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 RH-15H-001 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 SB-12E-001 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1F SB-05B-001 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O ACI-05682 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl ACI-00873 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O ACI-05670 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O ACI-05671 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.450 COC1=CC(O)=C(OC)C=C1Cl ACI-04696 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.653 COC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05534 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.653 COC1=C(F)C(F)=C(C=O)C=C1 ACI-05527 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.48 COC1=CC=C(C(=O)Cl)C=C1Br ACI-01757 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br ACI-05402 [0,2,0,0,0,0|1,0,1]=4 112 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 ACI-03796 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.24 OC1=CC=C2OCCNC2=C1 JM-08B-001 [0,1,0,1,0,0|1,0,0]=3 114 B12R2.132 CC1=CC=C2ON=C(O)C2=C1 ACI-05661 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 JM-09H-001 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.246 BrC1=CC(Br)=C2OCCC2=C1 RH-07B-005 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.246 CC1=CC(Br)=C2OC=CC2=C1 RH-12A-001 [0,1,0,1,0,0|0,0,2]=4 118 B12R2.44 COC1=CC2=C(C=C1)OC=C2 ACI-05786 [0,1,0,1,0,0|0,0,2]=4 119 B12R2.44 NNC1=CC2=C(C=C1)OCO2 ACI-04727 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.44 O=CC1=CC=C2OCCC2=C1 ACI-01523 [0,1,0,1,0,0|0,0,1]=3 121 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [1,0,0,0,1,0|2,0,0]=4