0 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.6 N=C(N)C1=CN=CN=C1 RH-06K-003 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.6 OB(O)C1=CN=CN=C1 ACI-02373 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,1,0,0,0,0|0,0,0]=1 8 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 ACI-NI-00209 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,1,0,0,0,0|2,1,0]=4 23 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,1,0,0,0,0|2,1,0]=4 24 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 ACI-NI-00213 [0,1,0,0,0,0|1,1,0]=3 25 B10R1.13 NC(=S)C1=CN=C(O)C=C1 SB-16B-002 [0,1,0,0,0,0|1,1,0]=3 26 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.13 O=C1CC=C(C(=O)O)N=N1 JL-11I-005 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.15 N=C(NN)C1=NC=CN=C1 ACI-02721 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.15 N\C(=N/O)C1=CC=CN=C1 ACI-00002 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,1,0,0,0,0|0,0,0]=1 41 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.61 CC1=NC=CN=C1C(=O)O ACI-02629 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.61 NC(=O)C1=CC=CN=C1Cl ACI-05357 [0,1,0,0,0,0|1,0,0]=2 54 B10R1.61 NC(=O)C1=CC=CN=C1F ACI-05446 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.61 NC(=O)C1=CC=NC=C1F ACI-05445 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [0,1,0,0,0,0|2,1,0]=4 58 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [0,1,0,0,0,0|2,1,0]=4 59 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl ACI-NI-00466 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.61 O=C(Cl)C1=CC=CN=C1F ACI-03845 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.61 O=C(Cl)C1=CC=NC=C1F ACI-03843 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.61 O=C(Cl)C1=NC=CC=C1Cl ACI-04861 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.61 O=C(Cl)C1=NC=CC=C1F ACI-03849 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 ACI-00997 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.61 O=[N+]([O-])C1=CC=CN=C1S WS-04C-008 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.113 N=C(N)C1=CC(Br)=CN=C1 RH-06K-004 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 ACI-NI-00224 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 ACI-NI-00236 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.113 N=C(N)C1=CC=CC(F)=C1 ACI-NI-00233 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ACI-05361 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.113 NC(=O)C1=CC(F)=NC=C1 ACI-05368 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 ACI-NI-00225 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 ACI-NI-00237 [0,1,0,0,0,0|2,1,0]=4 87 B10R1.113 NC(=S)C1=CC=CC(F)=C1 ACI-NI-00234 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 ACI-00306 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 ACI-00434 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [0,0,0,0,1,0|1,0,0]=2 98 B8R1.7 N=C(N)C1=CC=CS1 ACI-NI-00211 [0,0,0,0,1,0|3,0,0]=4 99 B8R1.7 N=C(N)C1=CSC=C1 ACI-NI-00212 [0,0,0,0,1,0|3,0,0]=4 100 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [0,0,0,0,1,0|2,0,0]=3 101 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [0,0,0,0,1,0|2,0,0]=3 102 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [0,0,0,0,1,0|2,0,0]=3 103 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [0,0,0,0,1,0|2,0,0]=3 104 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [0,0,0,0,1,0|2,0,0]=3 105 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [0,0,0,0,1,0|2,0,0]=3 106 B8R1.7 NC(=S)C1=CC=CS1 ACI-NI-00215 [0,0,0,0,1,0|2,1,0]=4 107 B8R1.7 NC(=S)C1=CSC=C1 ACI-NI-00216 [0,0,0,0,1,0|2,1,0]=4 108 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [0,0,0,0,1,0|2,0,0]=3 109 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [0,0,0,0,1,0|2,0,0]=3 110 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [0,0,0,0,1,0|2,0,0]=3 111 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [0,0,0,0,1,0|2,0,0]=3 112 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [0,0,0,0,1,0|2,0,0]=3 113 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [0,0,0,0,1,0|2,0,0]=3 114 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [0,0,0,0,1,0|2,0,0]=3 115 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [0,0,0,0,1,0|2,0,0]=3 116 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [0,0,0,0,1,0|2,0,0]=3 117 B8R1.7 O=[N+]([O-])C1=CNN=C1 ACI-00755 [0,0,0,0,1,0|3,0,0]=4 118 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,0,0,0,0,1|2,1,0]=4 120 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [0,0,0,0,0,1|3,0,0]=4 121 B7R1.3 ClC1=CC=CN=N1 ACI-04746 [2,0,0,0,0,0|2,0,0]=4 122 B7R1.3 OC1=CC=CN=N1 ACI-04745 [2,0,0,0,0,0|1,0,1]=4 123 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [1,1,0,0,0,0|1,0,1]=4 124 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [1,1,0,0,0,0|1,0,1]=4 125 B9R1.1 N#CC1=CC=C(Cl)N=C1 ACI-NI-00401 [1,1,0,0,0,0|1,0,1]=4 126 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [1,1,0,0,0,0|1,0,1]=4 127 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.1 O=CC1=CC=C(Cl)N=N1 ACI-02604 [1,1,0,0,0,0|1,0,0]=3 130 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [1,1,0,0,0,0|0,0,2]=4 131 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,1,0,0,0,0|1,0,0]=3 133 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [1,1,0,0,0,0|1,0,1]=4 134 B9R1.2 O=CC1=CC(Cl)=NC=C1 ACI-00432 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [1,1,0,0,0,0|0,0,2]=4 137 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,1,0,0,0,0|1,0,0]=3 138 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,1,0,0,0,0|1,0,0]=3 140 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [1,1,0,0,0,0|1,0,1]=4 141 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [1,1,0,0,0,0|0,0,0]=2 142 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [1,1,0,0,0,0|0,0,0]=2 143 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [1,1,0,0,0,0|0,0,2]=4 144 B9R1.11 COC(=N)C1=CC=CS1 WS-04A-006 [0,1,0,0,1,0|2,0,0]=4 145 B9R1.11 COC(=O)C1=CNC=C1 ACI-05835 [0,1,0,0,1,0|0,0,1]=3 146 B9R1.11 O=C(CBr)C1=CC=CS1 ACI-01812 [0,1,0,0,1,0|1,0,0]=3 147 B9R1.11 O=C(CBr)C1=CSC=C1 ACI-05846 [0,1,0,0,1,0|1,0,0]=3 148 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,1,0,0,1,0|1,0,0]=3 149 B9R1.35 CC1=CC(C(=O)Cl)=NO1 ACI-00361 [0,1,0,0,1,0|2,0,0]=4 150 B9R1.35 CC1=CC(C(=O)O)=NN1 ACI-NI-00015 [0,1,0,0,1,0|2,0,0]=4 151 B9R1.35 CC1=CC(C(=O)O)=NO1 ACI-NI-00050 [0,1,0,0,1,0|2,0,0]=4 152 B9R1.35 CC1=CC(C(N)=O)=NO1 ACI-02392 [0,1,0,0,1,0|2,0,0]=4 153 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,1,0,0,1,0|2,0,0]=4 154 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,1,0,0,1,0|2,0,0]=4 155 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,1,0,0,1,0|2,0,0]=4 156 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [0,1,0,0,1,0|2,0,0]=4 157 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [0,1,0,0,1,0|2,0,0]=4 158 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [0,1,0,0,1,0|2,0,0]=4 159 B9R1.35 CN1C=CC(C(=O)Cl)=N1 RH-07B-006 [0,1,0,0,1,0|2,0,0]=4 160 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,1,0,0,1,0|2,0,0]=4 161 B9R1.35 CN1C=CC(C(N)=O)=N1 ACI-05417 [0,1,0,0,1,0|2,0,0]=4 162 B9R1.35 CN1C=NC(C(=O)O)=C1 ACI-00207 [0,1,0,0,1,0|2,0,0]=4 163 B9R1.35 CN1C=NC(C(N)=O)=C1 ACI-02544 [0,1,0,0,1,0|2,0,0]=4 164 B9R1.35 NC(=O)C1=CC(Br)=CO1 JM-10G-001 [0,1,0,0,1,0|2,0,0]=4 165 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [0,1,0,0,1,0|2,0,0]=4 166 B9R1.35 NC(=O)C1=CN=C(Cl)S1 ACI-05438 [0,1,0,0,1,0|2,0,0]=4 167 B9R1.35 NC1=NC(C(=O)O)=CS1 ACI-00577 [0,1,0,0,1,0|2,0,0]=4 168 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [0,1,0,0,1,0|2,0,0]=4 169 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,1,0,0,1,0|2,0,0]=4 170 B9R1.35 O=C(O)C1=CSC(Br)=N1 ACI-00578 [0,1,0,0,1,0|2,0,0]=4 171 B9R1.35 O=C(O)C1=NNC(O)=C1 SB-04E-001 [0,1,0,0,1,0|2,0,0]=4 172 B9R1.41 CC1=C(C(=O)Cl)C=CO1 RH-11J-001 [0,1,0,0,1,0|2,0,0]=4 173 B9R1.41 CC1=C(C(=O)Cl)C=NO1 ACI-NI-00036 [0,1,0,0,1,0|2,0,0]=4 174 B9R1.41 CC1=C(C(=O)O)C=NO1 ACI-NI-00035 [0,1,0,0,1,0|2,0,0]=4 175 B9R1.41 CC1=C(C(=O)O)ON=C1 JL-14G-002 [0,1,0,0,1,0|2,0,0]=4 176 B9R1.41 CC1=C(C(=O)O)SN=C1 ACI-NI-00744 [0,1,0,0,1,0|2,0,0]=4 177 B9R1.41 CC1=C(C(N)=O)C=CO1 RH-11A-003 [0,1,0,0,1,0|2,0,0]=4 178 B9R1.41 CC1=C(C(N)=O)C=NO1 ACI-05350 [0,1,0,0,1,0|2,0,0]=4 179 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [0,1,0,0,1,0|2,0,0]=4 180 B9R1.41 CC1=NSC=C1C(=O)O ACI-00941 [0,1,0,0,1,0|2,0,0]=4 181 B9R1.41 CN1C=NC=C1C(=O)O ACI-00280 [0,1,0,0,1,0|2,0,0]=4 182 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [0,1,0,0,1,0|2,0,0]=4 183 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [0,1,0,0,1,0|2,0,0]=4 184 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,1,0,0,0,1|1,0,0]=3 187 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,1,0,0,0,1|1,0,0]=3 188 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,1,0,0,0,1|1,0,0]=3 189 B11R1.86 CC1=CC=CC=C1CC(=O)Cl ACI-05798 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.86 NC(=O)CC1=C(I)C=CC=C1 ACI-05460 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 ACI-05793 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.86 O=C(Cl)CC1=C(I)C=CC=C1 ACI-05161 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 ACI-05461 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 ACI-05162 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 ACI-05795 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 ACI-05799 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=N1 ACI-NI-00765 [0,2,0,0,0,0|2,0,0]=4 199 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=N1 ACI-04575 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.19 NS(=O)(=O)C1=CC=C(Cl)N=C1 ACI-04544 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.19 O=S(=O)(Cl)C1=CN=C(Cl)C=C1 ACI-NI-00710 [0,2,0,0,0,0|2,0,0]=4 202 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,2,0,0,0,0|1,0,0]=3 203 B11R1.21 CC1=C(Br)C=CC(C(=O)Cl)=C1 ACI-03963 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 ACI-03954 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1Cl ACI-00845 [0,2,0,0,0,0|2,0,0]=4 207 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1O ACI-00867 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.21 NC(=O)C1=CC(F)=C(Br)C=C1 ACI-02957 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 ACI-05401 [0,2,0,0,0,0|2,0,0]=4 210 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 ACI-05400 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 RJC-03C-003 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.21 O=C(Cl)C1=CC(Br)=C(Cl)C=C1 ACI-01748 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 ACI-01750 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 ACI-03967 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 ACI-00869 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 ACI-00122 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.21 O=C(O)C1=CC(Cl)=C(O)N=C1 ACI-01690 [0,2,0,0,0,0|1,0,0]=3 218 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)N=C1 ACI-01413 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.21 O=[N+]([O-])C1=CN=C(Cl)C(Br)=C1 ACI-01416 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(Cl)=C1 ACI-00441 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.22 CC1=CC=C(\C(N)=N\O)C=N1 ACI-02491 [0,2,0,0,0,0|1,0,1]=4 223 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,2,0,0,0,0|0,0,0]=2 225 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 ACI-04825 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [0,2,0,0,0,0|0,0,0]=2 227 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 ACI-01724 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.22 NNC(=O)C1=CC=C(Cl)N=C1 ACI-02020 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.22 N\C(=N/O)C1=CN=C(Cl)C=C1 ACI-NI-00202 [0,2,0,0,0,0|1,0,1]=4 231 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.166 CC(=O)C1=CN=C(N)N=C1C ACI-00090 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.166 CC1=C(C(=O)Cl)C=CC(Br)=C1 ACI-03965 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [0,2,0,0,0,0|1,0,0]=3 238 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 ACI-03956 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl ACI-05399 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 ACI-03966 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.166 O=C(Cl)C1=CC=C(Br)C=C1Cl ACI-01735 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl ACI-00424 [0,2,0,0,0,0|1,0,0]=3 243 B11R1.16 N#C\N=C(/N)C1=CC=CN=C1 ACI-00077 [0,2,0,0,0,0|1,0,1]=4 244 B11R1.23 CC(C=O)C1=CC=CC(Br)=C1 ACI-05596 [0,2,0,0,0,0|1,0,1]=4 245 B11R1.23 CCC(=O)C1=NC(C)=CC=C1 ACI-05706 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.23 COC(=O)C1=CC(F)=CN=C1 RJC-04K-001 [0,2,0,0,0,0|0,0,0]=2 247 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 ACI-01721 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 ACI-01728 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.222 CC1=C(\C(N)=N\O)C=NC=C1 ACI-02490 [0,2,0,0,0,0|1,0,1]=4 253 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,2,0,0,0,0|1,0,0]=3 255 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 ACI-NI-00119 [0,2,0,0,0,0|0,0,0]=2 256 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SB-05G-001 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.222 COC(=O)C1=CC=CN=C1Br ACI-01378 [0,2,0,0,0,0|0,0,0]=2 258 B11R1.222 COC(=O)C1=CC=CN=C1Cl ACI-01376 [0,2,0,0,0,0|0,0,0]=2 259 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,2,0,0,0,0|0,0,0]=2 260 B11R1.222 NNC(=O)C1=CC=CC=C1Br ACI-01722 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.222 NNC(=O)C1=CC=CC=C1F ACI-01726 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.87 CC1=C(S(=O)(=O)Cl)C=NC=C1 ACI-04605 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.87 NS(=O)(=O)C1=CC=CN=C1Cl ACI-00429 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.87 NS(=O)(=O)C1=CC=CN=C1F ACI-04529 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Cl ACI-00427 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1F ACI-00440 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.155 CC1=CN=CC(S(=O)(=O)Cl)=C1 ACI-04604 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.53 CCC1=CC=CC=C1C(=O)Cl FD-10K-001 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.53 CCC1=CC=CC=C1C(N)=O ACI-05454 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.53 COC1=CC=CC=C1C(C)=O ACI-05712 [0,2,0,0,0,0|1,0,0]=3 271 B11R1.53 COC1=NC=CC=C1C(=O)O WS-05C-008 [0,2,0,0,0,0|1,0,0]=3 272 B11R1.53 CSC1=NC=CC=C1C(=O)O ACI-01817 [0,2,0,0,0,0|1,0,0]=3 273 B11R1.53 O=C(Cl)C1=CC=CC=C1CCl ACI-01786 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.53 O=[N+]([O-])C1=CC=CN=C1CBr ACI-05180 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.156 CC1=C(C(=O)Cl)C(Cl)=NC=C1 WS-04B-006 [0,2,0,0,0,0|1,0,0]=3 276 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 WS-04F-001 [0,2,0,0,0,0|1,0,0]=3 277 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 ACI-00846 [0,2,0,0,0,0|1,0,0]=3 278 B11R1.156 CC1=C(C(=O)O)C(O)=NC=C1 ACI-01234 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 ACI-05383 [0,2,0,0,0,0|1,0,0]=3 280 B11R1.156 CC1=NC=NC(C)=C1C(=O)O ACI-01347 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.156 NC(=O)C1=C(Cl)N=CN=C1Cl ACI-05451 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.156 O=C(Cl)C1=C(Cl)N=CN=C1Cl RH-10G-001 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=C1 ACI-03957 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.159 O=C(Cl)C1=C(Cl)C(Cl)=CC=C1 ACI-03968 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.159 O=C(O)C1=CC=CC(I)=C1F ACI-06373 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.159 O=[N+]([O-])C1=CN=CC(Br)=C1Cl ACI-00994 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.159 O=[N+]([O-])C1=CN=CC(Br)=C1O ACI-00995 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.167 CC1=CN=C(Br)C([N+](=O)[O-])=C1 ACI-00416 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.167 CC1=CN=C(Cl)C([N+](=O)[O-])=C1 ACI-00430 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.167 CC1=CN=C(O)C([N+](=O)[O-])=C1 ACI-00444 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.167 CC1=CN=C(S)C([N+](=O)[O-])=C1 ACI-00448 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.167 NC(=O)C1=C(F)C=CC(Cl)=C1 ACI-03958 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.167 NC(=O)C1=CC(Br)=CC=C1Cl ACI-05398 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Cl ACI-05394 [0,2,0,0,0,0|1,0,0]=3 295 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1Cl ACI-05358 [0,2,0,0,0,0|1,0,0]=3 296 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 ACI-00984 [0,2,0,0,0,0|1,0,0]=3 297 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O WS-02D-005 [0,2,0,0,0,0|1,0,0]=3 298 B11R1.167 NC1=NC=C(I)C=C1C(=O)O WS-02E-004 [0,2,0,0,0,0|1,0,0]=3 299 B11R1.167 O=C(Cl)C1=C(F)C=CC(Cl)=C1 ACI-03970 [0,2,0,0,0,0|2,0,0]=4 300 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1Cl ACI-01732 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.167 O=C(Cl)C1=CC(Br)=CN=C1Cl WS-02E-092 [0,2,0,0,0,0|1,0,0]=3 302 B11R1.167 O=C(Cl)C1=CC(Cl)=CN=C1Cl ACI-00222 [0,2,0,0,0,0|1,0,0]=3 303 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 ACI-04738 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl WS-02E-001 [0,2,0,0,0,0|1,0,0]=3 305 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O ACI-00110 [0,2,0,0,0,0|1,0,0]=3 306 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl ACI-00301 [0,2,0,0,0,0|1,0,0]=3 307 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O WS-01E-001 [0,2,0,0,0,0|1,0,0]=3 308 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl ACI-00426 [0,2,0,0,0,0|1,0,0]=3 309 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CN=C1F RJC-06K-001 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.266 COC1=CC(C(C)=O)=NC=C1 ACI-00419 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.266 NC(=O)C1=CC(CCl)=CC=C1 ACI-00304 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 ACI-01623 [0,2,0,0,0,0|2,0,0]=4 313 B11R2.10 NC1=NC2=CC=CN=C2N1 ACI-04394 [0,0,0,1,0,1|2,0,0]=4 314 B11R2.10 OC1=NC2=NC=CC=C2O1 SB-05C-023 [0,0,0,1,0,1|1,0,1]=4 315 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,0,0,1,0,1|1,1,0]=4 316 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,1,0,1,0,0|1,0,1]=4 317 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,1,0,1,0,0|1,1,0]=4 318 B11R2.1 NC1=NNC2=NC=CC=C12 ACI-04391 [0,1,0,1,0,0|2,0,0]=4 319 B11R2.239 C1=CN=CC(C2CNC2)=C1 ACI-02435 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.1 O=CC1=CC=NO1 ACI-04961 [1,0,0,0,1,0|1,0,0]=3 321 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [1,0,0,0,1,0|1,0,0]=3 322 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,0,0,0,0,2|1,0,0]=3 323 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [0,0,0,0,0,2|1,0,1]=4