0 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 ClC1=CC=CN=N1 ACI-04746 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.3 NC1=CC=NC=N1 ACI-03852 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.3 OC1=CC=CN=N1 ACI-04745 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,1,0,0,0,0|2,0,1]=4 6 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.1 N#CC1=CC=C(Cl)N=C1 ACI-NI-00401 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.1 N#CC1=NC=C(F)C=C1 ACI-00992 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.1 NCC1=NC=C(Cl)C=N1 ACI-02636 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.2 N#CC1=NC=CC(Br)=C1 ACI-03815 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.2 N#CC1=NC=CC(Cl)=C1 ACI-00996 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.2 OC1=NC=NC(CCl)=C1 SB-11A-001 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 NCC1=CSC=C1 ACI-00305 [0,0,0,0,1,0|2,0,0]=3 41 B7R1.1 O=CC1=CC=NO1 ACI-04961 [0,0,0,0,1,0|2,0,1]=4 42 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [0,0,0,0,1,0|2,0,1]=4 43 B7R1.1 OCC1=CN=CN1 ACI-01502 [0,0,0,0,1,0|1,0,1]=3 44 B7R1.1 OCC1=CN=CS1 ACI-00689 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [1,1,0,0,0,0|1,0,0]=3 46 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [1,1,0,0,0,0|1,0,0]=3 47 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [1,1,0,0,0,0|2,0,0]=4 60 B8R1.4 SC1=NC(S)=NN=C1 ACI-01792 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.1 CC1=CC(CBr)=NO1 ACI-00511 [0,1,0,0,1,0|2,0,0]=4 65 B8R1.1 CC1=CC(CCl)=NO1 ACI-00252 [0,1,0,0,1,0|2,0,0]=4 66 B8R1.1 CC1=CC(CN)=NO1 JM-11D-001 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [0,1,0,0,1,0|2,0,0]=4 68 B8R1.1 CC1=NC(CCl)=CS1 ACI-00968 [0,1,0,0,1,0|2,0,0]=4 69 B8R1.1 CC1=NC(CCl)=NO1 ACI-00542 [0,1,0,0,1,0|2,0,0]=4 70 B8R1.1 CC1=NOC(CBr)=C1 ACI-01825 [0,1,0,0,1,0|2,0,0]=4 71 B8R1.1 CC1=NOC(CN)=C1 JM-05I-002 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [0,1,0,0,1,0|2,0,0]=4 73 B8R1.1 CN1C=CC(CCl)=N1 ACI-01838 [0,1,0,0,1,0|2,0,0]=4 74 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [0,1,0,0,1,0|2,0,0]=4 75 B8R1.1 ClCC1=NSC(Cl)=N1 ACI-00220 [0,1,0,0,1,0|2,0,0]=4 76 B8R1.1 NC1=NC(CCl)=CS1 ACI-00675 [0,1,0,0,1,0|2,0,0]=4 77 B8R1.1 NCC1=CN=C(Br)S1 ACI-04677 [0,1,0,0,1,0|2,0,0]=4 78 B8R1.1 OCC1=CN=C(Br)S1 ACI-03791 [0,1,0,0,1,0|2,0,0]=4 79 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [0,1,0,0,1,0|1,0,1]=4 80 B8R1.8 CCSC1=CN=NS1 ACI-00621 [0,1,0,0,1,0|2,0,0]=4 81 B8R1.8 ClCCC1=NN=NN1 ACI-00564 [0,1,0,0,1,0|2,0,0]=4 82 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [0,1,0,0,1,0|1,0,0]=3 83 B8R1.11 CC1=C(CCl)ON=C1 ACI-04860 [0,1,0,0,1,0|2,0,0]=4 84 B8R1.11 CC1=C(CN)C=CO1 JM-10L-001 [0,1,0,0,1,0|2,0,0]=4 85 B8R1.11 CC1=C(CN)SC=C1 ACI-04730 [0,1,0,0,1,0|2,0,0]=4 86 B8R1.11 CC1=C(CO)NN=C1 ACI-04855 [0,1,0,0,1,0|2,0,0]=4 87 B8R1.11 CC1=C(CO)OC=C1 ACI-02282 [0,1,0,0,1,0|2,0,0]=4 88 B8R1.11 CC1=C(CO)ON=C1 ACI-04859 [0,1,0,0,1,0|2,0,0]=4 89 B8R1.11 CC1=C(CO)SC=N1 ACI-00573 [0,1,0,0,1,0|2,0,0]=4 90 B8R1.11 OCC1=C(Br)SC=C1 RH-08D-002 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.3 N#CC1=CC=C(CBr)N=C1 ACI-00463 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.3 N#CC1=CC=C(CO)N=C1 ACI-04982 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.3 N#CC1=NC=C(CBr)C=C1 SB-02B-001 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=N1 ACI-04829 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.25 ClCC1=NC=C(Cl)C=C1Cl JL-12E-002 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.25 FC1=CC(F)=C(CCl)N=C1 ACI-04826 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 ACI-04830 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.25 OCC1=C(F)C=C(F)C=N1 ACI-04827 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.176 ClCC1=CC(Cl)=C(Cl)N=C1 RH-10J-001 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.30 ClC1=CN=C(Cl)C(CBr)=C1 ACI-02220 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.30 ClCC1=CC(Cl)=CN=C1Cl ACI-00224 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.30 OCC1=CC(Br)=CN=C1Cl ACI-00198 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.30 OCC1=CC(Cl)=CN=C1Cl ACI-00223 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,2,0,0,0,0|1,0,1]=4 110 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,2,0,0,0,0|1,0,1]=4 111 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [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|2,0,0]=4 114 B10R1.15 N=C(NN)C1=NC=CN=C1 ACI-02721 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,2,0,0,0,0|1,0,1]=4 117 B10R1.61 CC1=NC=CN=C1C(=O)O ACI-02629 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.17 C=CCNC1=CC=CN=C1 ACI-02637 [0,2,0,0,0,0|1,0,1]=4 122 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [0,2,0,0,0,0|1,0,1]=4 123 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,2,0,0,0,0|2,0,0]=4 124 B6R1.2 BrC1=CC=NS1 ACI-NI-00773 [1,0,0,0,1,0|2,0,0]=4 125 B6R1.2 BrC1=CNN=C1 ACI-00753 [1,0,0,0,1,0|2,0,0]=4 126 B6R1.2 BrC1=NNC=C1 ACI-01841 [1,0,0,0,1,0|2,0,0]=4 127 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,1,0|1,0,0]=3 128 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,1,0|1,0,0]=3 129 B6R1.2 CC1=CSN=N1 ACI-05802 [1,0,0,0,1,0|2,0,0]=4 130 B6R1.2 CC1=NN=NN1 ACI-01300 [1,0,0,0,1,0|2,0,0]=4 131 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,1,0|1,0,0]=3 132 B6R1.2 ClC1=CNN=C1 ACI-00754 [1,0,0,0,1,0|2,0,0]=4 133 B6R1.2 NC1=CC=NO1 ACI-00943 [1,0,0,0,1,0|2,0,0]=4 134 B6R1.2 NC1=NC=CO1 ACI-00944 [1,0,0,0,1,0|2,0,0]=4 135 B6R1.2 NC1=NNC=C1 ACI-03851 [1,0,0,0,1,0|2,0,0]=4 136 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,1,0|2,0,0]=4 137 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,1,0|2,0,0]=4 138 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,1,0|2,0,0]=4