0 B9R1.11 CCC(=O)C1=CC=CN1 180052 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.11 CCC(=O)C1=CC=CS1 001219 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.11 CCC(=O)N1C=CN=C1 003783 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.11 CNC(=O)C1=CC=CS1 102501 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.11 COC(=O)C1=CC=CN1 012688 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.11 COC(=O)C1=CC=CO1 001778 [0,0,0,0,0,0|0,1,0]=1 6 B9R1.11 COC(=O)C1=CC=CS1 011194 [0,0,0,0,0,0|0,2,0]=2 7 B9R1.11 COC(=O)C1=CC=NS1 040125 [0,0,0,0,0,0|1,2,0]=3 8 B9R1.11 COC(=O)C1=CNC=C1 078209 [0,0,0,0,0,0|2,1,0]=3 9 B9R1.11 COC(=O)C1=CNC=N1 047539 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.11 COC(=O)C1=COC=C1 218965 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.11 COC(=O)C1=CSC=C1 219260 [0,0,0,0,0,0|2,1,0]=3 12 B9R1.11 COC(=O)C1=NNC=N1 092361 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.11 COC(=O)C1CC=CC1 078959 [0,0,0,0,0,0|1,1,2]=4 14 B9R1.11 NNC(=O)C1=CC=CO1 009944 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.11 NNC(=O)C1=CC=CS1 009911 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.11 NNC(=O)C1=CSC=C1 019000 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.11 N\C(=N\O)C1=CC=CS1 017441 [0,0,0,0,0,0|3,1,0]=4 18 B9R1.11 O=C(CBr)C1=CC=CS1 064663 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.11 O=C(O[Cu])C1=CC=CS1 043827 [0,0,0,0,0,0|1,2,0]=3 20 B8R1.7 CC(=O)C1=CC=CN1 002744 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.7 CC(=O)C1=CC=CO1 088461 [1,0,0,0,0,0|0,0,0]=1 22 B8R1.7 CC(=O)C1=CC=CS1 005042 [1,0,0,0,0,0|0,1,0]=2 23 B8R1.7 CC(=O)C1=CSC=C1 013392 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 CC(=O)C1=NC=CS1 002759 [1,0,0,0,0,0|1,1,0]=3 25 B8R1.7 CC(=O)N1C=CN=C1 008022 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 CC(N)C1=CC=CS1 044441 [1,0,0,0,0,0|1,1,1]=4 27 B8R1.7 NC(=O)C1=CC=CO1 317695 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.7 NC(=O)C1=CC=CS1 336641 [1,0,0,0,0,0|1,1,0]=3 29 B8R1.7 NC(=O)C1=NNC=C1 043016 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 NC(=S)C1=CC=CN1 097983 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 NC(=S)C1=CC=CO1 068584 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 NC(=S)C1=CC=CS1 021348 [1,0,0,0,0,0|1,1,1]=4 33 B8R1.7 O=C(Cl)C1=CC=CO1 024674 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.7 O=C(Cl)C1=CC=CS1 099110 [1,0,0,0,0,0|1,1,0]=3 35 B8R1.7 O=C(O)C1=CC=CN1 066141 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.7 O=C(O)C1=CC=CO1 093393 [1,0,0,0,0,0|0,1,0]=2 37 B8R1.7 O=C(O)C1=CC=CS1 003042 [1,0,0,0,0,0|0,2,0]=3 38 B8R1.7 O=C(O)C1=CC=NO1 017345 [1,0,0,0,0,0|1,1,0]=3 39 B8R1.7 O=C(O)C1=CN=CS1 016173 [1,0,0,0,0,0|1,2,0]=4 40 B8R1.7 O=C(O)C1=CNC=C1 075258 [1,0,0,0,0,0|2,1,0]=4 41 B8R1.7 O=C(O)C1=CNC=C1 104381 [1,0,0,0,0,0|2,1,0]=4 42 B8R1.7 O=C(O)C1=CNC=N1 011782 [1,0,0,0,0,0|2,1,0]=4 43 B8R1.7 O=C(O)C1=COC=C1 024288 [1,0,0,0,0,0|2,1,0]=4 44 B8R1.7 O=C(O)C1=CSC=C1 003460 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.7 O=C(O)C1=CSC=N1 023485 [1,0,0,0,0,0|2,1,0]=4 46 B8R1.7 O=C(O)C1=NC=CN1 043636 [1,0,0,0,0,0|2,1,0]=4 47 B8R1.7 O=C(O)C1=NC=CO1 047101 [1,0,0,0,0,0|1,1,0]=3 48 B8R1.7 O=C(O)C1=NC=CS1 046193 [1,0,0,0,0,0|1,2,0]=4 49 B8R1.7 O=C(O)C1=NNC=C1 014533 [1,0,0,0,0,0|2,1,0]=4 50 B8R1.7 O=[N+]([O-])C1=CC=CS1 001317 [1,0,0,0,0,0|1,2,0]=4 51 B8R1.7 OB(O)C1=CC=CO1 010999 [1,0,0,0,0,0|1,1,1]=4 52 B8R1.8 CCCC1=CC=CS1 003676 [1,0,0,0,0,0|1,1,1]=4 53 B8R1.8 CNCC1=CC=CO1 226183 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.8 CNCC1=CC=CS1 065484 [1,0,0,0,0,0|1,1,1]=4 55 B10R1.11 CCCC(=O)C1=CC=CS1 024321 [0,1,0,0,0,0|1,1,0]=3 56 B10R1.11 CCOC(=O)C1=CC=CN1 044380 [0,1,0,0,0,0|1,1,0]=3 57 B10R1.11 CCOC(=O)C1=CC=CO1 094583 [0,1,0,0,0,0|0,1,0]=2 58 B10R1.11 CCOC(=O)C1=CC=CS1 209197 [0,1,0,0,0,0|0,2,0]=3 59 B10R1.11 CCOC(=O)C1=CC=NN1 027159 [0,1,0,0,0,0|2,1,0]=4 60 B10R1.11 CCOC(=O)C1=CNC=N1 076539 [0,1,0,0,0,0|2,1,0]=4 61 B10R1.11 CCOC(=O)C1=COC=C1 066948 [0,1,0,0,0,0|2,1,0]=4 62 B10R1.11 CCOC(=O)C1=COC=N1 016177 [0,1,0,0,0,0|2,1,0]=4 63 B10R1.11 CCOC(=O)C1=CSC=C1 221468 [0,1,0,0,0,0|2,1,0]=4 64 B10R1.11 CCOC(=O)C1=CSC=N1 216421 [0,1,0,0,0,0|2,1,0]=4 65 B10R1.11 N#CCC(=O)C1=CC=CO1 094121 [0,1,0,0,0,0|1,0,1]=3 66 B10R1.11 N#CCC(=O)C1=CC=CS1 017339 [0,1,0,0,0,0|1,1,1]=4 67 B10R1.14 CC1=CC=C(C(=O)NN)S1 014606 [0,1,0,0,0,0|2,1,0]=4 68 B10R1.14 CNC(=O)C1=CC=C(Br)S1 316187 [0,1,0,0,0,0|1,1,0]=3 69 B10R1.14 CNC(=O)C1=NOC(C)=C1 102179 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.14 COC(=O)C1=CC(C)=CS1 023893 [0,1,0,0,0,0|0,2,0]=3 71 B10R1.14 COC(=O)C1=CC(O)=NO1 066977 [0,1,0,0,0,0|1,1,0]=3 72 B10R1.14 COC(=O)C1=CC=C(Br)O1 092743 [0,1,0,0,0,0|0,1,0]=2 73 B10R1.14 COC(=O)C1=CC=C(Br)S1 078452 [0,1,0,0,0,0|0,2,0]=3 74 B10R1.14 COC(=O)C1=CC=C(C)O1 013655 [0,1,0,0,0,0|0,1,0]=2 75 B10R1.14 COC(=O)C1=CC=C(C)S1 318766 [0,1,0,0,0,0|0,2,0]=3 76 B10R1.14 COC(=O)C1=CN(C)C=N1 091995 [0,1,0,0,0,0|2,1,0]=4 77 B10R1.14 COC(=O)C1=CN=C(N)S1 066969 [0,1,0,0,0,0|1,2,0]=4 78 B10R1.14 COC(=O)C1=CNC(Br)=C1 044776 [0,1,0,0,0,0|2,1,0]=4 79 B10R1.14 COC(=O)C1=COC(C)=N1 040115 [0,1,0,0,0,0|2,1,0]=4 80 B10R1.14 COC(=O)C1=CSC(Br)=N1 016167 [0,1,0,0,0,0|2,1,0]=4 81 B10R1.14 COC(=O)C1=CSC(Cl)=N1 078279 [0,1,0,0,0,0|2,1,0]=4 82 B10R1.14 COC(=O)C1=CSC(N)=N1 066960 [0,1,0,0,0,0|2,1,0]=4 83 B10R1.14 COC(=O)C1=NOC(C)=C1 033167 [0,1,0,0,0,0|2,1,0]=4 84 B10R1.14 NNC(=O)C1=CC=C(Br)O1 018277 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 018071 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.149 CN1C=CC=C1C(=O)NN 033325 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.149 COC(=O)C1=C(Br)C=CS1 066929 [0,1,0,0,0,0|0,2,0]=3 88 B10R1.149 COC(=O)C1=C(C)C=CS1 093172 [0,1,0,0,0,0|0,2,0]=3 89 B10R1.149 COC(=O)C1=C(C)SC=C1 066941 [0,1,0,0,0,0|2,1,0]=4 90 B10R1.149 COC(=O)C1=C(Cl)C=CN1 238181 [0,1,0,0,0,0|1,1,0]=3 91 B10R1.149 COC(=O)C1=C(Cl)C=CS1 017406 [0,1,0,0,0,0|0,2,0]=3 92 B10R1.149 COC(=O)C1=C(I)C=CS1 017506 [0,1,0,0,0,0|0,2,0]=3 93 B10R1.149 COC(=O)C1=C(N)C=CS1 009639 [0,1,0,0,0,0|0,2,0]=3 94 B10R1.149 COC(=O)C1=C(N)SC=C1 017068 [0,1,0,0,0,0|2,1,0]=4 95 B10R1.149 COC(=O)C1=C(O)C=CS1 066930 [0,1,0,0,0,0|0,2,0]=3 96 B10R1.149 COC(=O)C1=CN=CN1C 224019 [0,1,0,0,0,0|2,1,0]=4 97 B10R1.149 COC(=O)C1=NNC=C1Br 036152 [0,1,0,0,0,0|2,1,0]=4 98 B10R1.149 COC(=O)C1=NNC=C1Cl 027124 [0,1,0,0,0,0|2,1,0]=4 99 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.15 CCC(=O)C1=CC=CN=C1 494152 [0,0,0,0,0,1|2,0,0]=3 101 B10R1.15 CCC(=O)C1=CC=NC=C1 218389 [0,0,0,0,0,1|2,0,0]=3 102 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [0,0,0,0,0,1|2,0,0]=3 103 B10R1.15 CNC(=O)C1=CC=CN=C1 180107 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [0,0,0,0,0,1|2,1,0]=4 105 B10R1.15 COC(=O)C1=CC=CC=C1 223218 [0,0,0,0,0,1|1,1,0]=3 106 B10R1.15 COC(=O)C1=CC=NC=C1 040095 [0,0,0,0,0,1|1,1,0]=3 107 B10R1.15 COC(=O)C1=CN=CC=C1 078909 [0,0,0,0,0,1|1,1,0]=3 108 B10R1.15 COC(=O)C1=NC=CC=C1 078704 [0,0,0,0,0,1|1,1,0]=3 109 B10R1.15 COC(=O)C1=NC=CN=C1 066991 [0,0,0,0,0,1|1,1,0]=3 110 B10R1.15 COS(=O)C1=CC=CC=C1 023251 [0,0,0,0,0,1|2,1,0]=4 111 B10R1.15 N#CC(=O)C1=CC=CC=C1 241276 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.15 NCC(=O)C1=CC=CC=C1 040292 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.15 NNC(=O)C1=CC=CC=C1 227678 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.15 NNC(=O)C1=CC=CC=N1 060583 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.15 NNC(=O)C1=CC=CN=C1 M02155 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.15 NNC(=O)C1=CC=NC=C1 236758 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.15 O=C(CBr)C1=CC=CC=C1 040508 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.15 O=C(CBr)C1=CC=CN=C1 005885 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.15 O=C(CBr)C1=CC=NC=C1 017122 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.15 O=C(CBr)C1=NC=CC=C1 005884 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.15 O=C(CCl)C1=CC=CC=C1 228091 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.15 O=C(CO)C1=CC=CC=C1 219236 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.15 O=C(NO)C1=CC=CC=C1 317419 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.15 O=CC(=O)C1=CC=CC=C1 454875 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.27 COC(=O)CC1=CC=CS1 011193 [0,0,0,0,0,1|0,2,0]=3 126 B7R0.3 C=CCOC(=O)OC 067150 [1,0,1,0,0,0|0,1,1]=4 127 B7R0.5 C=COC(=O)C(=C)C 106340 [1,0,1,0,0,0|2,0,0]=4 128 B7R0.1 CC\C=C\C=C\C=O 242611 [1,0,1,0,0,0|1,0,1]=4 129 B7R0.4 C\C=C\C=C\C(=O)O 104773 [1,0,1,0,0,0|1,1,0]=4 130 B7R1.1 C(=O)C1=CC=CS1 003419 [2,0,0,0,0,0|0,1,0]=3 131 B7R1.1 CCC1=CC=CN1 002567 [2,0,0,0,0,0|1,0,1]=4 132 B7R1.1 CCC1=CC=CS1 001177 [2,0,0,0,0,0|0,1,1]=4 133 B7R1.1 CSC1=NC=CS1 009622 [2,0,0,0,0,0|1,1,0]=4 134 B7R1.1 NCC1=CC=CO1 358202 [2,0,0,0,0,0|1,0,1]=4 135 B7R1.1 O=CC1=CC=CN1 043867 [2,0,0,0,0,0|1,0,0]=3 136 B7R1.1 O=CC1=CC=CO1 053252 [2,0,0,0,0,0|0,0,0]=2 137 B7R1.1 O=CC1=CC=CO1 104085 [2,0,0,0,0,0|0,0,0]=2 138 B7R1.1 O=CC1=CC=NN1 046433 [2,0,0,0,0,0|2,0,0]=4 139 B7R1.1 O=CC1=CN=CS1 016172 [2,0,0,0,0,0|1,1,0]=4 140 B7R1.1 O=CC1=CNC=N1 065293 [2,0,0,0,0,0|2,0,0]=4 141 B7R1.1 O=CC1=CSC=C1 045073 [2,0,0,0,0,0|2,0,0]=4 142 B7R1.1 O=CC1=CSC=N1 016171 [2,0,0,0,0,0|2,0,0]=4 143 B7R1.1 O=CC1=NC=CN1 011781 [2,0,0,0,0,0|2,0,0]=4 144 B7R1.1 O=CC1=NC=CS1 046294 [2,0,0,0,0,0|1,1,0]=4 145 B7R1.1 OCC1=CC=CO1 143000 [2,0,0,0,0,0|0,0,2]=4 146 B7R1.1 SCC1=CC=CO1 002796 [2,0,0,0,0,0|0,0,1]=3 147 B7R1.1 SCC1=CC=CS1 104865 [2,0,0,0,0,0|0,1,1]=4 148 B9R1.35 CC(=O)C1=CC=C(Br)S1 001260 [1,1,0,0,0,0|0,1,0]=3 149 B9R1.35 CC(=O)C1=CC=C(C)S1 001262 [1,1,0,0,0,0|0,1,0]=3 150 B9R1.35 CC(=O)C1=CC=C(Cl)S1 001261 [1,1,0,0,0,0|0,1,0]=3 151 B9R1.35 CC(=O)C1=CC=C(I)S1 033173 [1,1,0,0,0,0|0,1,0]=3 152 B9R1.35 CC(=O)C1=CN(C)C=C1 103065 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.35 CC1=CC=C(C(=O)O)O1 014513 [1,1,0,0,0,0|0,1,0]=3 154 B9R1.35 CC1=CC=C(C(=O)O)S1 045076 [1,1,0,0,0,0|0,2,0]=4 155 B9R1.35 CC1=CSC(C(=O)O)=C1 023894 [1,1,0,0,0,0|0,2,0]=4 156 B9R1.35 CC1=CSC(C(N)=O)=C1 023896 [1,1,0,0,0,0|1,1,0]=4 157 B9R1.35 CC1=NC=C(C(=O)O)O1 227751 [1,1,0,0,0,0|1,1,0]=4 158 B9R1.35 CC1=NOC(C(=O)O)=C1 027734 [1,1,0,0,0,0|1,1,0]=4 159 B9R1.35 NC(=O)C1=CC(Br)=CS1 070165 [1,1,0,0,0,0|1,1,0]=4 160 B9R1.35 NC(=O)C1=CC=C(Br)S1 038547 [1,1,0,0,0,0|1,1,0]=4 161 B9R1.35 O=C(Cl)C1=CC=C(Br)S1 368671 [1,1,0,0,0,0|1,1,0]=4 162 B9R1.35 O=C(O)C1=CC(Br)=CS1 028027 [1,1,0,0,0,0|0,2,0]=4 163 B9R1.35 O=C(O)C1=CC=C(Br)O1 020339 [1,1,0,0,0,0|0,1,0]=3 164 B9R1.35 O=C(O)C1=CC=C(Br)S1 114300 [1,1,0,0,0,0|0,2,0]=4 165 B9R1.35 O=C(O)C1=CC=C(Cl)S1 014515 [1,1,0,0,0,0|0,2,0]=4 166 B9R1.41 CC(=O)C1=CC=CN1C 002488 [1,1,0,0,0,0|1,0,0]=3 167 B9R1.41 CC(=O)C1=CC=NN1C 031545 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.41 CC1=C(C(=O)O)OC=N1 035897 [1,1,0,0,0,0|1,1,0]=4 169 B9R1.41 CC1=C(C(=O)O)SC=C1 045075 [1,1,0,0,0,0|0,2,0]=4 170 B9R1.41 CN1C=CC=C1C(=O)O 093156 [1,1,0,0,0,0|1,1,0]=4 171 B9R1.41 NC(=O)C1=C(Cl)C=CS1 017088 [1,1,0,0,0,0|1,1,0]=4 172 B9R1.41 NC(=O)C1=C(N)C=CS1 013116 [1,1,0,0,0,0|1,1,0]=4 173 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 017408 [1,1,0,0,0,0|1,1,0]=4 174 B9R1.41 O=C(O)C1=C(Br)C=CS1 019423 [1,1,0,0,0,0|0,2,0]=4 175 B9R1.41 O=C(O)C1=C(Cl)C=CS1 017407 [1,1,0,0,0,0|0,2,0]=4 176 B9R1.41 O=C(O)C1=C(I)C=CS1 021666 [1,1,0,0,0,0|0,2,0]=4 177 B11R1.16 CCOC(=O)C1=CC=CC=C1 300758 [0,1,0,0,0,1|1,1,0]=4 178 B11R1.16 CCOC(=O)C1=CC=CN=C1 093983 [0,1,0,0,0,1|1,1,0]=4 179 B11R1.16 CCOC(=O)C1=CC=NC=C1 092136 [0,1,0,0,0,1|1,1,0]=4 180 B11R1.16 CCOC(=O)C1=NC=CC=C1 079053 [0,1,0,0,0,1|1,1,0]=4 181 B11R1.16 CCOC(=O)C1=NC=CC=C1 141800 [0,1,0,0,0,1|1,1,0]=4 182 B11R1.16 CCOC(=O)C1=NC=CN=C1 216407 [0,1,0,0,0,1|1,1,0]=4 183 B11R1.16 COCC(=O)C1=CC=CC=C1 321462 [0,1,0,0,0,1|1,1,0]=4 184 B11R1.16 O=C(CCCl)C1=CC=CC=C1 092658 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.16 O=C(NCO)C1=CC=CC=C1 001083 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.16 O=C(OCCl)C1=CC=CC=C1 209542 [0,1,0,0,0,1|1,1,0]=4 187 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 001001 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 216656 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 025639 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 001190 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 078553 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 091217 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.22 CNC(=O)C1=CC=C(C)C=C1 342068 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 105214 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.22 CNC(=O)C1=CC=C(F)C=C1 033236 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 102872 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 236709 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.22 CNC(=O)C1=NC=C(C)N=C1 024487 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 078890 [0,1,0,0,0,1|1,1,0]=4 200 B11R1.22 COC(=O)C1=CC=C(C)C=C1 349109 [0,1,0,0,0,1|1,1,0]=4 201 B11R1.22 COC(=O)C1=CC=C(C)N=C1 024182 [0,1,0,0,0,1|1,1,0]=4 202 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 018826 [0,1,0,0,0,1|1,1,0]=4 203 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 067007 [0,1,0,0,0,1|1,1,0]=4 204 B11R1.22 COC(=O)C1=CC=C(F)C=C1 006802 [0,1,0,0,0,1|1,1,0]=4 205 B11R1.22 COC(=O)C1=CC=C(I)C=C1 079685 [0,1,0,0,0,1|1,1,0]=4 206 B11R1.22 COC(=O)C1=CC=C(N)C=C1 035825 [0,1,0,0,0,1|1,1,0]=4 207 B11R1.22 COC(=O)C1=CC=C(O)C=C1 209090 [0,1,0,0,0,1|1,1,0]=4 208 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 182137 [0,1,0,0,0,1|1,1,0]=4 209 B11R1.22 COC(=O)C1=CC=[N+]([O-])C=C1 013166 [0,1,0,0,0,1|1,1,0]=4 210 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 040655 [0,1,0,0,0,1|1,1,0]=4 211 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 011192 [0,1,0,0,0,1|1,1,0]=4 212 B11R1.22 COC(=O)C1=CN=C(N)C=C1 013413 [0,1,0,0,0,1|1,1,0]=4 213 B11R1.22 COC(=O)C1=COC(=O)C=C1 067076 [0,1,0,0,0,1|0,1,0]=3 214 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 035935 [0,1,0,0,0,1|1,1,0]=4 215 B11R1.22 COC(=O)C1=NC=C(C)C=C1 209069 [0,1,0,0,0,1|1,1,0]=4 216 B11R1.22 COC(=O)C1=NC=C(C)N=C1 020105 [0,1,0,0,0,1|1,1,0]=4 217 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 066992 [0,1,0,0,0,1|1,1,0]=4 218 B11R1.22 COC(=O)C1=NC=C(O)C=C1 070001 [0,1,0,0,0,1|1,1,0]=4 219 B11R1.22 COC(=O)C1=NC=C(O)N=C1 076343 [0,1,0,0,0,1|1,1,0]=4 220 B11R1.22 COC(=O)C1=NNC(=O)C=C1 067008 [0,1,0,0,0,1|1,1,0]=4 221 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 003621 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.23 CCC(=O)C1=CC=CC(Br)=C1 114000 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.23 CCC(=O)C1=CC=CC(C)=C1 240661 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.23 CNC(=O)C1=CC(C)=CC=C1 094995 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.23 CNC(=O)C1=CC(F)=CC=C1 448487 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.23 CNC(=O)C1=CC(I)=CC=C1 104053 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 036759 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 068430 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 017390 [0,1,0,0,0,1|1,1,0]=4 230 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 236597 [0,1,0,0,0,1|1,1,0]=4 231 B11R1.23 COC(=O)C1=CC(C)=CC=C1 358396 [0,1,0,0,0,1|1,1,0]=4 232 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 013133 [0,1,0,0,0,1|1,1,0]=4 233 B11R1.23 COC(=O)C1=CC(F)=CC=C1 009502 [0,1,0,0,0,1|1,1,0]=4 234 B11R1.23 COC(=O)C1=CC(I)=CC=C1 037328 [0,1,0,0,0,1|1,1,0]=4 235 B11R1.23 COC(=O)C1=CC(O)=CN=C1 009282 [0,1,0,0,0,1|1,1,0]=4 236 B11R1.23 COC(=O)C1=CC=CC(=O)N1 231201 [0,1,0,0,0,1|1,1,0]=4 237 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 155102 [0,1,0,0,0,1|1,1,0]=4 238 B11R1.23 COC(=O)C1=CC=CC(Br)=N1 049693 [0,1,0,0,0,1|1,1,0]=4 239 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 243026 [0,1,0,0,0,1|1,1,0]=4 240 B11R1.23 COC(=O)C1=CC=CC(N)=C1 038247 [0,1,0,0,0,1|1,1,0]=4 241 B11R1.23 COC(=O)C1=CC=CC(O)=C1 078900 [0,1,0,0,0,1|1,1,0]=4 242 B11R1.23 COC(=O)C1=CC=C[N+]([O-])=C1 032582 [0,1,0,0,0,1|1,1,0]=4 243 B11R1.23 COC(=O)C1=CN=CC(C)=C1 078340 [0,1,0,0,0,1|1,1,0]=4 244 B11R1.23 COC(=O)C1=NC(C)=CC=C1 032619 [0,1,0,0,0,1|1,1,0]=4 245 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 067006 [0,1,0,0,0,1|1,1,0]=4 246 B11R1.23 COC(=O)C1=NC(N)=CC=C1 078136 [0,1,0,0,0,1|1,1,0]=4 247 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 043009 [0,1,0,0,0,1|1,1,0]=4 248 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 066860 [0,1,0,0,0,1|1,1,0]=4 249 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 242623 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 003400 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 236802 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 341736 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 520894 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.222 CNC(=O)C1=C(Cl)C=CC=C1 102258 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 181799 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 374495 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.222 CNC(=O)C1=CC=CC=C1Br 234361 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.222 CNC(=O)C1=CC=CC=C1C 215382 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.222 CNC(=O)C1=CC=CC=C1F 474578 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.222 CNC(=O)C1=CC=CC=C1N 018186 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 051109 [0,1,0,0,0,1|1,1,0]=4 262 B11R1.222 COC(=O)C1=C(C)C=CC=C1 018884 [0,1,0,0,0,1|1,1,0]=4 263 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 018825 [0,1,0,0,0,1|1,1,0]=4 264 B11R1.222 COC(=O)C1=C(F)C=CC=C1 006801 [0,1,0,0,0,1|1,1,0]=4 265 B11R1.222 COC(=O)C1=C(I)C=CC=C1 005544 [0,1,0,0,0,1|1,1,0]=4 266 B11R1.222 COC(=O)C1=C(N)C=CN=C1 013940 [0,1,0,0,0,1|1,1,0]=4 267 B11R1.222 COC(=O)C1=C(S)C=CC=C1 008066 [0,1,0,0,0,1|1,1,0]=4 268 B11R1.222 COC(=O)C1=CC=CC=C1Br 079461 [0,1,0,0,0,1|1,1,0]=4 269 B11R1.222 COC(=O)C1=CC=CC=C1O 066745 [0,1,0,0,0,1|1,1,0]=4 270 B11R1.222 COC(=O)C1=CC=CN=C1O 066889 [0,1,0,0,0,1|1,1,0]=4 271 B11R1.222 COC(=O)C1=CC=NC=C1O 091518 [0,1,0,0,0,1|1,1,0]=4 272 B11R1.222 COC(=O)C1=CN=CC=C1C 066868 [0,1,0,0,0,1|1,1,0]=4 273 B11R1.222 COC(=O)C1=NC=CC=C1Br 214698 [0,1,0,0,0,1|1,1,0]=4 274 B11R1.222 COC(=O)C1=NC=CN=C1Cl 066993 [0,1,0,0,0,1|1,1,0]=4 275 B11R1.222 COC(=O)C1=NC=CN=C1N 040183 [0,1,0,0,0,1|1,1,0]=4 276 B11R1.30 CCOC(=O)CC1=CC=CS1 003051 [0,1,0,0,0,1|0,2,0]=4 277 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 078257 [0,2,0,0,0,0|1,1,0]=4 278 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 092960 [0,2,0,0,0,0|0,2,0]=4 279 B11R1.15 CCOC(=O)C1=CC=C(C)S1 362445 [0,2,0,0,0,0|0,2,0]=4 280 B11R1.15 CCOC(=O)C1=CC=C(Cl)S1 066945 [0,2,0,0,0,0|0,2,0]=4 281 B11R1.15 CCOC(=O)C1=CN=C(N)O1 066982 [0,2,0,0,0,0|1,1,0]=4 282 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 103153 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.199 CCOC(=O)C1=C(Br)C=CS1 226200 [0,2,0,0,0,0|0,2,0]=4 284 B11R1.199 CCOC(=O)C1=C(C)N=CO1 015703 [0,2,0,0,0,0|1,1,0]=4 285 B11R1.199 CCOC(=O)C1=C(N)C=CN1 036777 [0,2,0,0,0,0|1,1,0]=4 286 B11R1.44 COC(=O)C1=CC=C(CCl)O1 010649 [0,2,0,0,0,0|0,1,0]=3 287 B11R1.225 COC(=O)C1=CC(N)=CN1C 018815 [0,2,0,0,0,0|1,1,0]=4 288 B11R1.314 CN(C)C(=O)C1=CC=C(Br)S1 365837 [0,2,0,0,0,0|1,1,0]=4 289 B11R1.865 COC(=O)C1=C(C)C(Br)=CS1 097665 [0,2,0,0,0,0|0,2,0]=4 290 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 018021 [0,2,0,0,0,0|0,2,0]=4 291 B11R1.865 COC(=O)C1=C(I)C(C)=CS1 023922 [0,2,0,0,0,0|0,2,0]=4 292 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 018020 [0,2,0,0,0,0|0,2,0]=4 293 B11R1.865 COC(=O)C1=C(O)C(Br)=CS1 066932 [0,2,0,0,0,0|0,2,0]=4 294 B9R1.3 CC1=C(C)C(O)=CC=C1 358211 [0,0,1,1,0,0|2,0,0]=4 295 B9R1.3 CC1=C(F)C(O)=CC=C1 036232 [0,0,1,1,0,0|2,0,0]=4 296 B9R1.15 CCC1=CC=CC=C1O 240992 [0,0,1,1,0,0|2,0,0]=4 297 B9R1.15 COC1=CC=CC=C1O 241127 [0,0,1,1,0,0|1,1,0]=4 298 B9R1.15 CSC1=C(Br)C=CC=C1 001732 [0,0,1,1,0,0|2,0,0]=4 299 B9R1.15 CSC1=C(Cl)C=CC=C1 003552 [0,0,1,1,0,0|2,0,0]=4 300 B9R1.15 CSC1=C(F)C=CC=C1 019279 [0,0,1,1,0,0|2,0,0]=4 301 B9R1.15 CSC1=C(I)C=CC=C1 003738 [0,0,1,1,0,0|2,0,0]=4 302 B9R1.15 CSC1=C(N)C=CC=C1 002979 [0,0,1,1,0,0|2,0,0]=4 303 B9R1.15 CSC1=C(O)C=CC=C1 001770 [0,0,1,1,0,0|1,0,0]=3 304 B9R1.2 COC1=CC(O)=CC=C1 235567 [0,0,1,1,0,0|1,1,0]=4 305 B9R1.2 CSC1=CC(Br)=CC=C1 003661 [0,0,1,1,0,0|2,0,0]=4 306 B9R1.2 CSC1=CC(C)=CC=C1 019356 [0,0,1,1,0,0|2,0,0]=4 307 B9R1.2 CSC1=CC(Cl)=CC=C1 003553 [0,0,1,1,0,0|2,0,0]=4 308 B9R1.2 CSC1=CC(F)=CC=C1 019273 [0,0,1,1,0,0|2,0,0]=4 309 B9R1.2 CSC1=CC(I)=CC=C1 094459 [0,0,1,1,0,0|2,0,0]=4 310 B9R1.2 CSC1=CC([Mg+])=CC=C1 397737 [0,0,1,1,0,0|2,0,0]=4 311 B9R1.2 CSC1=CC=CC(N)=C1 018141 [0,0,1,1,0,0|2,0,0]=4 312 B9R1.2 CSC1=NC=CC(O)=N1 076764 [0,0,1,1,0,0|2,0,0]=4 313 B11R2.1 O=C1CCC2=C1C=CC=C2 036208 [0,0,0,1,0,1|2,0,0]=4 314 B11R2.1 O=C1NCC2=C1C=CC=C2 091909 [0,0,0,1,0,1|2,0,0]=4 315 B11R2.1 O=C1OCC2=C1C=CC=C2 091677 [0,0,0,1,0,1|1,1,0]=4 316 B11R2.1 O=C1SSC2=C1C=CC=C2 099152 [0,0,0,1,0,1|2,0,0]=4 317 B9R1.6 C=C(C)C1=CC=CC=C1 245708 [1,0,0,0,0,1|2,0,0]=4 318 B9R1.6 CC(=O)C1=CC=CC=C1 043319 [1,0,0,0,0,1|1,0,0]=3 319 B9R1.6 CC(=O)C1=CC=CN=C1 032763 [1,0,0,0,0,1|1,0,0]=3 320 B9R1.6 CC(=O)C1=CC=NC=C1 033067 [1,0,0,0,0,1|1,0,0]=3 321 B9R1.6 CC(=O)C1=NC=CC=C1 044389 [1,0,0,0,0,1|1,0,0]=3 322 B9R1.6 CC(=O)C1=NC=CN=C1 002741 [1,0,0,0,0,1|1,0,0]=3 323 B9R1.6 CS(=O)C1=CC=CC=C1 180124 [1,0,0,0,0,1|2,0,0]=4 324 B9R1.6 NC(=O)C1=CC=CC=C1 099462 [1,0,0,0,0,1|2,0,0]=4 325 B9R1.6 NC(=O)C1=CC=NC=C1 079012 [1,0,0,0,0,1|2,0,0]=4 326 B9R1.6 NC(=O)C1=CN=CC=C1 239905 [1,0,0,0,0,1|2,0,0]=4 327 B9R1.6 NC(=O)C1=NC=CC=C1 235663 [1,0,0,0,0,1|2,0,0]=4 328 B9R1.6 NC(=O)C1=NC=CN=C1 068696 [1,0,0,0,0,1|2,0,0]=4 329 B9R1.6 O=C(Cl)C1=CC=CC=C1 097787 [1,0,0,0,0,1|2,0,0]=4 330 B9R1.6 O=C(Cl)C1=CC=CC=C1 102565 [1,0,0,0,0,1|2,0,0]=4 331 B9R1.6 O=C(Cl)C1=CC=CN=C1 053251 [1,0,0,0,0,1|2,0,0]=4 332 B9R1.6 O=C(Cl)C1=CC=NC=C1 066672 [1,0,0,0,0,1|2,0,0]=4 333 B9R1.6 O=C(Cl)C1=NC=CC=C1 166500 [1,0,0,0,0,1|2,0,0]=4 334 B9R1.6 O=C(O)C1=CC=CC=C1 102544 [1,0,0,0,0,1|1,1,0]=4 335 B9R1.6 O=C(O)C1=CC=CC=C1 237766 [1,0,0,0,0,1|1,1,0]=4 336 B9R1.6 O=C(O)C1=CC=CN=C1 106451 [1,0,0,0,0,1|1,1,0]=4 337 B9R1.6 O=C(O)C1=CC=NC=C1 045226 [1,0,0,0,0,1|1,1,0]=4 338 B9R1.6 O=C(O)C1=CN=CC=C1 214893 [1,0,0,0,0,1|1,1,0]=4 339 B9R1.6 O=C(O)C1=NC=CC=C1 043385 [1,0,0,0,0,1|1,1,0]=4 340 B9R1.6 O=C(O)C1=NC=CC=N1 043596 [1,0,0,0,0,1|1,1,0]=4 341 B9R1.6 O=C(O)C1=NC=CN=C1 066244 [1,0,0,0,0,1|1,1,0]=4 342 B9R1.6 O=C(O)C1=NC=NC=C1 066253 [1,0,0,0,0,1|1,1,0]=4 343 B9R1.6 O=C(O)C1=NN=CC=C1 047653 [1,0,0,0,0,1|1,1,0]=4 344 B9R1.6 O=C([O-])C1=CC=CC=C1 094455 [1,0,0,0,0,1|1,1,0]=4 345 B9R1.6 O=C([O-])C1=CC=CC=C1 095369 [1,0,0,0,0,1|1,1,0]=4 346 B9R1.6 O=C([O-])C1=CC=CC=C1 099144 [1,0,0,0,0,1|1,1,0]=4 347 B9R1.6 O=C([O-])C1=CC=CC=C1 239403 [1,0,0,0,0,1|1,1,0]=4 348 B9R1.6 O=C([O-])C1=CN=CC=C1 245943 [1,0,0,0,0,1|1,1,0]=4 349 B9R1.8 CSCC1=CC=CC=C1 099640 [1,0,0,0,0,1|1,0,1]=4 350 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [1,0,0,0,0,1|2,0,0]=4 351 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [1,0,0,0,0,1|2,0,0]=4 352 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [1,0,0,0,0,1|2,0,0]=4 353 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,0,0,0,0,2|2,0,0]=4 354 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [0,0,0,0,0,2|2,0,0]=4 355 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [0,0,0,0,0,2|2,0,0]=4 356 B11R1.40 COC(=O)CC1=NC=CC=C1 092468 [0,0,0,0,0,2|1,1,0]=4