0 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC1=CC(C(=O)Cl)=NO1 ACI-00361 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC1=CC(C(=O)O)=NN1 ACI-NI-00015 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC1=CC(C(=O)O)=NO1 ACI-NI-00050 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=CC(C(N)=O)=NO1 ACI-02392 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC1=NC(C(=N)N)=CS1 ACI-00242 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC1=NC(C(N)=S)=CS1 ACI-00324 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CN1C=CC(C(=O)Cl)=N1 RH-07B-006 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CN1C=CC(C(N)=O)=N1 ACI-05417 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 CN1C=NC(C(=O)O)=C1 ACI-00207 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CN1C=NC(C(N)=O)=C1 ACI-02544 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 NC(=O)C1=CC(Br)=CO1 JM-10G-001 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 NC(=O)C1=CN=C(Cl)S1 ACI-05438 [0,0,0,0,0,0|3,1,0]=4 21 B9R1.35 NC1=NC(C(=O)O)=CS1 ACI-00577 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 O=C(O)C1=CSC(Br)=N1 ACI-00578 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,0,0,0,0,0|1,1,0]=3 27 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 CN1C=NC(C=O)=C1 JM-06D-001 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.1 O=CC1=NC=C(Cl)S1 JM-09F-001 [1,0,0,0,0,0|2,1,0]=4 33 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 N=C(N)C1=CC=CS1 ACI-NI-00211 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [1,0,0,0,0,0|2,1,0]=4 41 B8R1.7 NC(=S)C1=CC=CS1 ACI-NI-00215 [1,0,0,0,0,0|1,2,0]=4 42 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [1,0,0,0,0,0|2,1,0]=4 46 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [1,0,0,0,0,0|2,1,0]=4 48 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.14 COC(=O)C1=CC(Br)=CN1 ACI-00657 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.14 COC(=O)C1=CC(C)=NN1 ACI-00027 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [0,1,0,0,0,0|1,1,0]=3 54 B10R1.14 COC(=O)C1=CN(C)C=N1 ACI-02533 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [0,1,0,0,0,0|1,1,0]=3 56 B10R1.14 COC(=O)C1=CNC(Br)=C1 ACI-05836 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.31 CC(=O)C1=CNC(C=O)=C1 ACI-01337 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.31 CCC1=CC(C(=O)O)=CS1 JL-14K-001 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.31 CCC1=NC(C(=O)O)=CN1 ACI-04660 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.58 CC1=CC(C(=O)Cl)=NN1C ACI-NI-00042 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.58 CC1=CC(C(=O)O)=NN1C ACI-NI-00041 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.58 CC1=CC(C(N)=O)=NN1C ACI-05351 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 ACI-04651 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ACI-00246 [0,1,0,0,0,0|2,1,0]=4 66 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,0,0,0,0,1|2,0,0]=3 70 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,0,0,0,0,1|2,0,0]=3 90 B10R1.113 CC1=CC(C(=N)N)=CC=N1 ACI-02507 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.113 CC1=CC(C(=N)N)=NC=C1 ACI-02502 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,0,0,0,0,1|2,0,0]=3 93 B10R1.113 CC1=NC(C(=N)N)=CC=C1 ACI-00468 [0,0,0,0,0,1|3,0,0]=4 94 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [0,0,0,0,0,1|3,0,0]=4 95 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ACI-05361 [0,0,0,0,0,1|3,0,0]=4 96 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.113 NC(=O)C1=CC(F)=NC=C1 ACI-05368 [0,0,0,0,0,1|3,0,0]=4 98 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 ACI-00306 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 ACI-00434 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [0,0,0,0,0,1|3,0,0]=4 108 B7R1.1 O=CC1=CC=NO1 ACI-04961 [2,0,0,0,0,0|1,0,0]=3 109 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [2,0,0,0,0,0|1,1,0]=4 110 B9R1.21 N#CC1=CC=C(C=O)S1 ACI-04985 [1,1,0,0,0,0|0,1,1]=4 111 B9R1.22 CN1C=C(Cl)C(C=O)=N1 ACI-02129 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.23 O=CC1=CC(Br)=C(Br)O1 ACI-04650 [1,1,0,0,0,0|1,0,0]=3 113 B9R1.132 CC1=NC=C(C=O)N1C JM-08L-002 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.11 COC(=N)C1=CC=CS1 WS-04A-006 [1,1,0,0,0,0|1,1,0]=4 115 B9R1.11 COC(=O)C1=CNC=C1 ACI-05835 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.11 O=C(CBr)C1=CC=CS1 ACI-01812 [1,1,0,0,0,0|0,1,0]=3 117 B9R1.11 O=C(CBr)C1=CSC=C1 ACI-05846 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.41 CC1=C(C(=O)O)ON=C1 JL-14G-002 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [1,1,0,0,0,0|1,0,0]=3 120 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [1,1,0,0,0,0|1,1,0]=4 121 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,0,1|1,0,0]=3 126 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 ACI-04825 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 WS-03K-001 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.23 CCC(=O)C1=NC(C)=CC=C1 ACI-05706 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.23 COC(=O)C1=CC(F)=CN=C1 RJC-04K-001 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 ACI-NI-00398 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.266 COC1=CC(C(C)=O)=NC=C1 ACI-00419 [0,1,0,0,0,1|1,0,0]=3 141 B11R1.266 COC1=CC=NC(C(=O)O)=C1 ACI-NI-00709 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.266 NC(=O)C1=CC(CCl)=CC=C1 ACI-00304 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 ACI-01623 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.15 CCOC(=O)C1=CNC(C)=N1 ACI-04662 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.15 CCOC(=O)C1=CSC(C)=N1 ACI-NI-00046 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.15 CCOC(=O)C1=NN=C(C)O1 ACI-01474 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.225 COC(=O)C1=C(C)N=C(N)O1 ACI-01362 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.226 COC(=O)C1=NN(C)C(O)=C1 ACI-01051 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.49 CC(=O)C1=C(C#N)NC(C)=N1 ACI-04668 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,0,1,1,0,0|2,0,0]=4 151 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,0,1,1,0,0|2,0,0]=4 152 B9R1.2 O=CC1=CC(Cl)=NC=C1 ACI-00432 [1,0,0,0,0,1|2,0,0]=4 153 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [1,0,0,0,0,1|2,0,0]=4