0 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 CC1=COC(N)=N1 ACI-00543 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CSC(N)=N1 RJC-04J-001 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=NOC(N)=N1 ACI-02451 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 CC1=NSC(Br)=C1 ACI-00534 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 CC1=NSC(I)=C1 ACI-NI-00723 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CC1=NSC(N)=C1 ACI-00530 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 CN1C=C(Cl)C=N1 ACI-01463 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.2 CN1C=C(N)C=N1 ACI-03790 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.2 CN1C=CC(Cl)=N1 ACI-02549 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CN1C=CC(N)=N1 ACI-00344 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 O=C1CC(O)=CO1 JM-02K-001 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 BrC1=CC=NS1 ACI-NI-00773 [1,0,0,0,0,0|2,1,0]=4 13 B6R1.2 BrC1=NNC=C1 ACI-01841 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,0,0|1,1,0]=3 15 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 CC1=CSN=N1 ACI-05802 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 NC1=CC=NO1 ACI-00943 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 NC1=NC=CO1 ACI-00944 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 NC1=NNC=C1 ACI-03851 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 O=C1C=CSN1 ACI-04102 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 CC1=CC(CBr)=NO1 ACI-00511 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.1 CC1=CC(CCl)=NO1 ACI-00252 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.1 CC1=CC(CN)=NO1 JM-11D-001 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.1 CC1=NC(CCl)=CS1 ACI-00968 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.1 CC1=NC(CCl)=NO1 ACI-00542 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [0,1,0,0,0,0|1,1,1]=4 33 B8R1.1 CC1=NOC(CBr)=C1 ACI-01825 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.1 CC1=NOC(CN)=C1 JM-05I-002 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.1 CN1C=CC(CCl)=N1 ACI-01838 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.1 NC1=NC(CCl)=CS1 ACI-00675 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.1 NCC1=CN=C(Br)S1 ACI-04677 [0,1,0,0,0,0|2,1,0]=4 40 B8R1.1 OCC1=CN=C(Br)S1 ACI-03791 [0,1,0,0,0,0|2,1,0]=4 41 B8R1.18 CC1=C(Cl)SC(Cl)=C1 ACI-04717 [0,1,0,0,0,0|2,1,0]=4 42 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.18 CC1=NN(C)C(Cl)=C1 ACI-01470 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.50 CC1=NC=C(Br)N1C JM-08L-001 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.50 CC1=NN=C(C)N1N JM-07K-004 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.50 CC1=NNC(C)=C1Br ACI-01464 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.50 CC1=NOC(C)=C1I ACI-02249 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.2 CC(=O)\C=C(\C)N ACI-01061 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.4 O=C(O)\C=C\CBr ACI-04789 [0,0,1,0,0,0|2,0,1]=4 51 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [0,0,0,0,0,1|2,0,0]=3 53 B8R1.3 ClC1=NN=C(I)C=C1 ACI-00522 [0,0,0,0,0,1|3,0,0]=4 54 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [0,0,0,0,0,1|2,0,0]=3 57 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [0,0,0,0,0,1|2,0,0]=3 59 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [0,0,0,0,0,1|2,0,0]=3 62 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [0,0,0,0,0,1|2,0,0]=3 63 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [0,0,0,0,0,1|2,0,0]=3 64 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [0,0,0,0,0,1|3,0,0]=4 67 B7R1.1 NCC1=CSC=C1 ACI-00305 [1,1,0,0,0,0|2,0,0]=4 68 B7R1.1 O=CC1=CC=NO1 ACI-04961 [1,1,0,0,0,0|1,0,1]=4 69 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,1,0,0,0,0|2,0,0]=4 70 B7R1.1 OCC1=CN=CS1 ACI-00689 [1,1,0,0,0,0|1,1,0]=4 71 B7R1.4 CC1=NSC=C1Br ACI-NI-00720 [1,1,0,0,0,0|2,0,0]=4 72 B7R1.4 CC1=NSC=C1N ACI-NI-00743 [1,1,0,0,0,0|2,0,0]=4 73 B7R1.4 CN1N=CC=C1N RH-05E-001 [1,1,0,0,0,0|2,0,0]=4 74 B7R1.4 ClC1=C(Br)SC=C1 ACI-02394 [1,1,0,0,0,0|1,1,0]=4 75 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,1,0,0,0,1|1,0,1]=4 76 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,1,0,0,0,1|1,0,1]=4 77 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,1,0,0,0,1|2,0,0]=4 78 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,1,0,0,0,1|2,0,0]=4 79 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [0,1,0,0,0,1|2,0,0]=4 80 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [0,1,0,0,0,1|2,0,0]=4 81 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [0,1,0,0,0,1|2,0,0]=4 82 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,1,0,0,0,1|2,0,0]=4 83 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [0,1,0,0,0,1|2,0,0]=4 84 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [0,1,0,0,0,1|2,0,0]=4 85 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [0,1,0,0,0,1|2,0,0]=4 86 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [0,1,0,0,0,1|2,0,0]=4 87 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [0,1,0,0,0,1|2,0,0]=4 88 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [0,1,0,0,0,1|2,0,0]=4 91 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [0,1,0,0,0,1|2,0,0]=4 92 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [0,1,0,0,0,1|1,0,1]=4 95 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [0,1,0,0,0,1|2,0,0]=4 96 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [0,1,0,0,0,1|2,0,0]=4 97 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.2 ClCC1=CC(Cl)=NC=C1 ACI-00425 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [0,1,0,0,0,1|2,0,0]=4 100 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [0,1,0,0,0,1|2,0,0]=4 101 B9R1.3 CC1=C(N)C(Cl)=NC=C1 ACI-00862 [0,1,0,0,0,1|2,0,0]=4 102 B9R1.3 CC1=CC=CC(Br)=C1S ACI-04004 [0,1,0,0,0,1|2,0,0]=4 103 B9R1.34 CC1=CC(S)=CC(Br)=C1 ACI-02421 [0,1,0,0,0,1|2,0,0]=4 104 B9R1.34 CC1=NC(C)=NC(N)=N1 ACI-00382 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.22 CC1=NN(C)C(C#N)=C1 ACI-02163 [0,2,0,0,0,0|2,0,0]=4 106 B9R1.22 CC1=NN(C)C(CCl)=C1 ACI-00853 [0,2,0,0,0,0|2,0,0]=4 107 B9R1.22 CC1=NN(C)C(CO)=C1 ACI-00854 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.23 CCC1=NN(C)C(Cl)=C1 ACI-04721 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.23 CCC1=NN(C)C(O)=C1 ACI-04719 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.23 O=CC1=CC(Br)=C(Br)O1 ACI-04650 [0,2,0,0,0,0|1,0,1]=4 111 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [0,2,0,0,0,0|1,0,1]=4 112 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [0,2,0,0,0,0|1,0,1]=4 113 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,2,0,0,0,0|1,0,1]=4