0 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 SC1=NC(S)=NN=C1 ACI-01792 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 ClC1=CC=CN=N1 ACI-04746 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.3 NC1=CC=NC=N1 ACI-03852 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.3 OC1=CC=CN=N1 ACI-04745 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.3 CC1=CC=CC(Br)=C1S ACI-04004 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.3 NC1=C(Cl)C=NC=C1Cl ACI-00378 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.3 OC1=C(Br)C=NC=C1Br ACI-01235 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.34 CC1=CC(S)=CC(Br)=C1 ACI-02421 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.34 CC1=NC(C)=NC(N)=N1 ACI-00382 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 ACI-00384 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.69 CC1=C(Cl)N=NC(Cl)=C1 RJC-03C-001 [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|3,0,0]=4 29 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [0,1,0,0,0,0|3,0,0]=4 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|3,0,0]=4 33 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,1,0,0,0,0|2,0,0]=3 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(N)C(Br)=C1 ACI-00837 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.69 FC1=CC(Br)=CN=C1I ACI-04370 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.69 NC1=CC(Cl)=CN=C1Cl ACI-00248 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.69 NC1=NC=C(Br)C=C1F JL-15A-001 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [0,0,0,0,1,0|2,0,0]=3 46 B7R1.2 CC1=COC(N)=N1 ACI-00543 [0,0,0,0,1,0|2,0,0]=3 47 B7R1.2 CC1=CSC(N)=N1 RJC-04J-001 [0,0,0,0,1,0|2,0,0]=3 48 B7R1.2 CC1=NOC(N)=N1 ACI-02451 [0,0,0,0,1,0|2,0,0]=3 49 B7R1.2 CC1=NSC(Br)=C1 ACI-00534 [0,0,0,0,1,0|3,0,0]=4 50 B7R1.2 CC1=NSC(I)=C1 ACI-NI-00723 [0,0,0,0,1,0|3,0,0]=4 51 B7R1.2 CC1=NSC(N)=C1 ACI-00530 [0,0,0,0,1,0|3,0,0]=4 52 B7R1.2 CN1C=C(Cl)C=N1 ACI-01463 [0,0,0,0,1,0|3,0,0]=4 53 B7R1.2 CN1C=C(N)C=N1 ACI-03790 [0,0,0,0,1,0|3,0,0]=4 54 B7R1.2 CN1C=CC(Cl)=N1 ACI-02549 [0,0,0,0,1,0|2,0,0]=3 55 B7R1.2 CN1C=CC(N)=N1 ACI-00344 [0,0,0,0,1,0|2,0,0]=3 56 B7R1.4 CC1=C(Br)SN=C1 ACI-NI-00748 [0,0,0,0,1,0|2,0,0]=3 57 B7R1.4 CC1=C([S-])SN=N1 ACI-00617 [0,0,0,0,1,0|3,0,0]=4 58 B7R1.4 CC1=NSC=C1Br ACI-NI-00720 [0,0,0,0,1,0|3,0,0]=4 59 B7R1.4 CC1=NSC=C1N ACI-NI-00743 [0,0,0,0,1,0|3,0,0]=4 60 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [1,1,0,0,0,0|1,0,0]=3 61 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [1,1,0,0,0,0|1,0,0]=3 63 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [1,1,0,0,0,0|1,0,0]=3 64 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.1 CC1=CC(CBr)=NO1 ACI-00511 [0,1,0,0,1,0|2,0,0]=4 69 B8R1.1 CC1=CC(CCl)=NO1 ACI-00252 [0,1,0,0,1,0|2,0,0]=4 70 B8R1.1 CC1=CC(CN)=NO1 JM-11D-001 [0,1,0,0,1,0|2,0,0]=4 71 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [0,1,0,0,1,0|1,0,1]=4 73 B8R1.1 CC1=NC(CCl)=CS1 ACI-00968 [0,1,0,0,1,0|1,0,0]=3 74 B8R1.1 CC1=NC(CCl)=NO1 ACI-00542 [0,1,0,0,1,0|1,0,0]=3 75 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [0,1,0,0,1,0|1,0,1]=4 76 B8R1.1 CC1=NOC(CBr)=C1 ACI-01825 [0,1,0,0,1,0|2,0,0]=4 77 B8R1.1 CC1=NOC(CN)=C1 JM-05I-002 [0,1,0,0,1,0|2,0,0]=4 78 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [0,1,0,0,1,0|2,0,0]=4 79 B8R1.1 CN1C=CC(CCl)=N1 ACI-01838 [0,1,0,0,1,0|1,0,0]=3 80 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [0,1,0,0,1,0|1,0,0]=3 81 B8R1.1 ClCC1=NSC(Cl)=N1 ACI-00220 [0,1,0,0,1,0|2,0,0]=4 82 B8R1.1 NC1=NC(CCl)=CS1 ACI-00675 [0,1,0,0,1,0|2,0,0]=4 83 B8R1.1 NCC1=CN=C(Br)S1 ACI-04677 [0,1,0,0,1,0|2,0,0]=4 84 B8R1.1 OCC1=CN=C(Br)S1 ACI-03791 [0,1,0,0,1,0|2,0,0]=4 85 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [0,1,0,0,1,0|1,0,0]=3 86 B8R1.18 CC1=NN(C)C(Cl)=C1 ACI-01470 [0,1,0,0,1,0|1,0,0]=3 87 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [0,1,0,0,1,0|1,0,0]=3 88 B8R1.50 CC1=NC=C(Br)N1C JM-08L-001 [0,1,0,0,1,0|1,0,1]=4 89 B8R1.50 CC1=NN=C(C)N1N JM-07K-004 [0,1,0,0,1,0|1,0,1]=4 90 B8R1.50 CC1=NNC(C)=C1Br ACI-01464 [0,1,0,0,1,0|2,0,0]=4 91 B8R1.50 CC1=NOC(C)=C1I ACI-02249 [0,1,0,0,1,0|2,0,0]=4 92 B8R1.11 CC1=C(C=O)SN=C1 ACI-NI-00746 [0,1,0,0,1,0|1,0,1]=4 93 B8R1.11 CC1=C(CCl)ON=C1 ACI-04860 [0,1,0,0,1,0|1,0,0]=3 94 B8R1.11 CC1=C(CCl)SN=N1 ACI-00620 [0,1,0,0,1,0|2,0,0]=4 95 B8R1.11 CC1=C(CN)C=CO1 JM-10L-001 [0,1,0,0,1,0|2,0,0]=4 96 B8R1.11 CC1=C(CN)SC=C1 ACI-04730 [0,1,0,0,1,0|2,0,0]=4 97 B8R1.11 CC1=C(CO)NN=C1 ACI-04855 [0,1,0,0,1,0|1,0,0]=3 98 B8R1.11 CC1=C(CO)OC=C1 ACI-02282 [0,1,0,0,1,0|2,0,0]=4 99 B8R1.11 CC1=C(CO)ON=C1 ACI-04859 [0,1,0,0,1,0|1,0,0]=3 100 B8R1.11 CC1=C(CO)SN=N1 ACI-00607 [0,1,0,0,1,0|2,0,0]=4 101 B8R1.11 CN1C=NC=C1C=O ACI-00286 [0,1,0,0,1,0|1,0,1]=4 102 B10R1.8 CC1=CC(O)=NC(CN)=N1 ACI-02457 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.30 CC1=CN=C(N)C(C#N)=C1 ACI-00409 [0,2,0,0,0,0|1,0,1]=4 105 B10R1.30 CC1=CN=C(S)C(C#N)=C1 ACI-00237 [0,2,0,0,0,0|1,0,1]=4 106 B10R1.30 ClC1=CN=C(Cl)C(CBr)=C1 ACI-02220 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.30 ClCC1=CC(Cl)=CN=C1Cl ACI-00224 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.30 OCC1=CC(Br)=CN=C1Cl ACI-00198 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.30 OCC1=CC(Cl)=CN=C1Cl ACI-00223 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,2,0,0,0,0|0,0,1]=3 112 B10R1.113 CC1=NC(C(=N)N)=CC=C1 ACI-00468 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.172 N#CC1=CC=CC(CO)=N1 ACI-04984 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.176 ClCC1=CC(Cl)=C(Cl)N=C1 RH-10J-001 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.22 CC1=CC(O)=CC(C)=C1I JM-03B-001 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 ACI-01441 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.25 CC1=CN=C(C#N)C(N)=C1 ACI-00449 [0,2,0,0,0,0|2,0,0]=4 120 B6R1.2 BrC1=CC=NS1 ACI-NI-00773 [1,0,0,0,1,0|2,0,0]=4 121 B6R1.2 BrC1=CNN=C1 ACI-00753 [1,0,0,0,1,0|2,0,0]=4 122 B6R1.2 BrC1=NNC=C1 ACI-01841 [1,0,0,0,1,0|2,0,0]=4 123 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,1,0|1,0,0]=3 124 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,1,0|1,0,0]=3 125 B6R1.2 CC1=CSN=N1 ACI-05802 [1,0,0,0,1,0|2,0,0]=4 126 B6R1.2 CC1=NN=NN1 ACI-01300 [1,0,0,0,1,0|2,0,0]=4 127 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,1,0|1,0,0]=3 128 B6R1.2 ClC1=CNN=C1 ACI-00754 [1,0,0,0,1,0|2,0,0]=4 129 B6R1.2 NC1=CC=NO1 ACI-00943 [1,0,0,0,1,0|2,0,0]=4 130 B6R1.2 NC1=NC=CO1 ACI-00944 [1,0,0,0,1,0|2,0,0]=4 131 B6R1.2 NC1=NNC=C1 ACI-03851 [1,0,0,0,1,0|2,0,0]=4 132 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,1,0|2,0,0]=4 133 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,1,0|2,0,0]=4 134 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,1,0|2,0,0]=4