0 B9R1.15 CC1=C(C#N)C=CN=C1 ACI-02495 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.2 CC1=C(F)C=CC=C1NN ACI-04206 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [0,1,0,0,0,0|1,1,0]=3 19 B10R1.2 FC1=C(I)C=CC=C1CBr ACI-05616 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.2 FC1=CC=CC(CBr)=C1Cl ACI-04692 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.2 N#CC1=CC=CC(I)=C1F ACI-06372 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.2 NNC1=C(F)C(F)=CC=C1 ACI-04091 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 ACI-04691 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.2 OCC1=C(F)C(I)=CC=C1 ACI-05609 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [0,1,0,0,0,0|2,1,0]=4 27 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 FD-10E-004 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.25 CC1=C(NN)C=CC(F)=C1 ACI-04083 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,1,0,0,0,0|2,1,0]=4 33 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,1,0,0,0,0|2,1,0]=4 34 B10R1.25 NNC1=C(Br)C=C(F)C=C1 ACI-02453 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 ACI-03975 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.25 NNC1=CC=C(F)C=C1F ACI-00273 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 ACI-04081 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.30 CC1=CC(NN)=C(Br)C=C1 ACI-04079 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [0,1,0,0,0,0|1,1,0]=3 42 B10R1.30 ClC1=CC=C(I)C=C1CBr ACI-05612 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.30 N#CC1=CC(F)=CC=C1O ACI-02301 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.30 NNC1=C(Br)C=CC(Cl)=C1 ACI-04196 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.30 NNC1=C(Br)C=CC(F)=C1 ACI-04076 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 ACI-04195 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.30 NNC1=CC(Cl)=CC=C1F ACI-03974 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.30 O=CC1=CC(Cl)=CC=C1F ACI-00824 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.245 CC1=C(C#N)C(O)=NC=C1 ACI-01407 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.245 CC1=CC=CC(Cl)=C1NN ACI-04089 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.3 OC1=CC=CN=N1 ACI-04745 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,1,0,0,0,0|1,1,0]=4 63 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,1,0,0,0,0|1,1,0]=4 66 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,1,0,0,0,0|1,1,0]=4 67 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.3 CC1=C(Br)C=CC=C1S ACI-02417 [1,1,0,0,0,0|0,1,0]=3 69 B9R1.3 CC1=C(N)C(Cl)=NC=C1 ACI-00862 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.3 CC1=CC=CC(Br)=C1S ACI-04004 [1,1,0,0,0,0|0,1,0]=3 71 B9R1.3 FC1=C(Br)C=CC=C1S ACI-02552 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.3 FC1=CC=CC(Br)=C1S ACI-02556 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.3 FC1=CC=CC(S)=C1Br ACI-02562 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.3 OC1=C(Br)C=NC=C1Br ACI-01235 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.69 CC1=C(O)N=NC(O)=C1 ACI-04737 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [1,1,0,0,0,0|1,0,0]=3 81 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.69 FC1=CC(Br)=CC=C1S ACI-02559 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.69 FC1=CC(S)=CC=C1Br ACI-02581 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.69 FC1=CC=C(Br)C(S)=C1 ACI-02557 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.69 FC1=CC=C(Br)C=C1S ACI-02554 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.69 FC1=CC=C(S)C(Br)=C1 ACI-02564 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.69 FC1=CC=C(S)C=C1Br ACI-02567 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.69 NC1=C(Cl)C=C(F)C=C1 ACI-04608 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [1,1,0,0,0,0|1,0,0]=3 92 B9R1.69 NC1=CC=C(Br)C=C1N ACI-01651 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.69 NC1=CC=C(Br)C=C1S ACI-04794 [1,1,0,0,0,0|1,0,0]=3 94 B9R1.69 NC1=CC=C(Cl)C=C1S ACI-04793 [1,1,0,0,0,0|1,0,0]=3 95 B9R1.69 NC1=CC=C(I)C=C1N ACI-01596 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.8 CNC1=CC(Br)=CC(F)=C1N JL-15J-002 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.8 O=CC1=C(O)C(F)=CC(Br)=C1 ACI-02722 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.265 COC1=C(NN)C=CC=C1F FD-10E-003 [0,2,0,0,0,0|1,1,0]=4 102 B11R1.17 CC1=C(OCC#N)C=CC=C1 ACI-05106 [0,2,0,0,0,0|1,1,0]=4 103 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.17 N#CCOC1=C(Br)C=CC=C1 ACI-05152 [0,2,0,0,0,0|1,1,0]=4 105 B11R1.17 N#CCOC1=C(F)C=CC=C1 ACI-05141 [0,2,0,0,0,0|1,1,0]=4 106 B11R1.17 N#CCOC1=CC=CC=C1Cl ACI-05096 [0,2,0,0,0,0|1,1,0]=4 107 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,2,0,0,0,0|1,1,0]=4 112 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl RH-10J-002 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.53 CCC1=CC=CC=C1C(=O)Cl FD-10K-001 [0,2,0,0,0,0|1,0,1]=4 114 B11R1.53 CCC1=CC=CC=C1C(N)=O ACI-05454 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.53 COC1=C(C(=N)N)C=CC=C1 ACI-NI-00256 [0,2,0,0,0,0|1,1,0]=4 116 B11R1.53 COC1=C(C(N)=S)C=CC=C1 ACI-NI-00257 [0,2,0,0,0,0|0,2,0]=4 117 B11R1.53 COC1=CC=CC=C1C(C)=O ACI-05712 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.53 COC1=NC=CC=C1C(=O)O WS-05C-008 [0,2,0,0,0,0|1,1,0]=4 119 B11R1.53 CSC1=NC=CC=C1C(=O)O ACI-01817 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 ACI-06402 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [0,2,0,0,0,0|1,1,0]=4 122 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(O)=C1 ACI-06427a [0,2,0,0,0,0|2,0,0]=4 123 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 JL-10I-001 [0,2,0,0,0,0|2,0,0]=4 124 B11R2.106 BrC1=C2OCCC2=CC=C1 ACI-NI-00707 [0,1,0,1,0,0|1,0,0]=3 125 B11R2.106 BrC1=C2SC=CC2=CC=C1 WS-05J-007 [0,1,0,1,0,0|1,0,1]=4 126 B11R2.106 BrC1=CC=CC2=C1OC=C2 ACI-02292 [0,1,0,1,0,0|1,0,1]=4 127 B11R2.106 CC1=CC=CC2=NSN=C12 ACI-02687 [0,1,0,1,0,0|2,0,0]=4 128 B11R2.106 ClC1=C2SN=NC2=CC=C1 RH-05K-005 [0,1,0,1,0,0|2,0,0]=4 129 B11R2.106 NC1=CC=CC2=C1C=CO2 ACI-05785 [0,1,0,1,0,0|1,0,1]=4 130 B11R2.106 NC1=CC=CC2=C1N=CS2 ACI-00632 [0,1,0,1,0,0|1,0,1]=4 131 B11R2.106 NC1=CC=CC2=C1SC=N2 FD-09B-001 [0,1,0,1,0,0|1,0,1]=4 132 B11R2.106 NC1=CC=CC2=NSN=C12 ACI-02688 [0,1,0,1,0,0|2,0,0]=4 133 B11R2.106 OC1=CC=CC2=C1C=CO2 ACI-05784 [0,1,0,1,0,0|1,0,1]=4 134 B11R2.10 SC1=NC2=C(C=CC=C2)S1 ACI-01509 [0,1,0,1,0,0|1,0,1]=4 135 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,1,0,1,0,0|1,0,0]=3 136 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [0,1,0,1,0,0|1,0,1]=4 137 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,1,0,1,0,0|1,0,0]=3 138 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,1,0,1,0,0|1,0,1]=4 139 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,1,0,1,0,0|2,0,0]=4 140 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,1,0,1,0,0|1,1,0]=4 141 B11R2.36 NC1=CC2=C(C=C1)OC=C2 ACI-05788 [0,1,0,1,0,0|1,0,1]=4 142 B11R2.36 NC1=CC2=C(C=C1)SC=N2 ACI-00493 [0,1,0,1,0,0|1,0,1]=4 143 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [0,1,0,1,0,0|1,0,1]=4