0 B7R1.2 CC1=CC(=O)CO1 AC-85907 [0,0,0,0,0,0|0,0,0]=0 1 B7R1.2 CC1=CC(=O)NN1 AC-13387 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.2 CC1=CC(Br)=CS1 AC-18798 [0,0,0,0,0,0|1,1,1]=3 3 B7R1.2 CC1=CC(Br)=NO1 AC-33149 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 CC1=CC(C)=NO1 AC-13649 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 CC1=CC(N)=NN1 AC-44621 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CC1=CC(N)=NO1 AC-32674 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 CC1=CC(O)=NO1 AC-58257 [0,0,0,0,0,0|1,0,1]=2 8 B7R1.2 CC1=CC=C(Br)O1 AC-81494 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=CC=C(Br)S1 AC-13561 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=CN(C)N=C1 AC-28546 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CC1=CN(C)N=N1 AC-89968 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.2 CC1=CN=C(Br)S1 AC-25288 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.2 CC1=CN=C(C)S1 AC-13532 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1=CN=C(Cl)S1 AC-13521 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.2 CC1=CN=C(N)N1 AC-31000 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.2 CC1=CN=C(N)O1 AC-41470 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.2 CC1=CN=C(N)S1 AC-44619 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.2 CC1=CNC(Br)=N1 AC-76276 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.2 CC1=CNC(C)=C1 AC-13373 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.2 CC1=CNC(I)=N1 AC-29953 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 CC1=CSC(=O)N1 AC-93701 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.2 CC1=CSC(Br)=N1 AC-25287 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CC1=CSC(Cl)=N1 AC-42176 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.2 CC1=CSC(I)=C1 AC-82271 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.2 CC1=CSC(I)=N1 AC-87424 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 CC1=NC(Br)=CS1 AC-46103 [0,0,0,0,0,0|2,1,1]=4 27 B7R1.2 CC1=NC(I)=CS1 AC-85068 [0,0,0,0,0,0|2,1,1]=4 28 B7R1.2 CC1=NC(N)=CS1 AC-76457 [0,0,0,0,0,0|2,1,1]=4 29 B7R1.2 CC1=NC=C(Br)S1 AC-32947 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.2 CC1=NC=C(N)S1 AC-80974 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.2 CC1=NN=C(C)O1 AC-79358 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.2 CC1=NN=C(N)O1 AC-49677 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.2 CC1=NN=C(O)O1 AC-31284 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 CC1=NNC(=O)C1 AC-31598 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.2 CC1=NNC(C)=N1 AC-28596 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.2 CC1=NNC(O)=C1 AC-68450 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.2 CC1=NOC(Br)=C1 AC-33145 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.2 CC1=NSC(N)=C1 AC-21153 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.2 CC1=NSC(N)=C1 AC-87848 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.2 CC1=NSC(N)=N1 AC-86513 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.2 CN1C=C(Br)C=N1 AC-25230 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 CN1C=C(Br)N=N1 AC-25298 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.2 CN1C=C(Cl)C=N1 AC-26223 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.2 CN1C=C(F)C=N1 AC-92443 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.2 CN1C=C(I)C=N1 AC-43056 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.2 CN1C=C(N)C=N1 AC-40810 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.2 CN1C=C(N)C=N1 AC-42780 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.2 CN1C=C(N)N=N1 AC-72364 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.2 CN1C=CC(=O)N1 AC-82045 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.2 CN1C=CC(N)=C1 AC-80610 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.2 CN1C=CC(N)=C1 AC-81457 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 CN1C=NC(Br)=C1 AC-84015 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.2 CN1C=NC(I)=C1 AC-21225 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.2 CN1C=NC(N)=C1 AC-80798 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.2 CN1CCC(=O)C1 AC-31742 [0,0,0,0,0,0|2,0,1]=3 57 B7R1.2 NC1=CC(=O)CC1 AC-76594 [0,0,0,0,0,0|2,0,0]=2 58 B7R1.2 NC1=CC(=O)CS1 AC-86021 [0,0,0,0,0,0|1,1,0]=2 59 B7R1.2 NC1=CC(=O)NN1 AC-76578 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.2 NC1=CC(N)=NN1 AC-27377 [0,0,0,0,0,0|4,0,0]=4 61 B7R1.2 NC1=NC(=O)CS1 AC-90973 [0,0,0,0,0,0|2,1,0]=3 62 B7R1.2 NC1=NNC(O)=C1 AC-22676 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.2 NC1=NNC(O)=C1 AC-32375 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,0,0,0,0,0|2,0,2]=4 65 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,0,0,0,0,0|2,0,2]=4 66 B7R1.2 O=C1C=C(Cl)SN1 AC-72177 [0,0,0,0,0,0|2,1,0]=3 67 B7R1.2 O=C1C=C(O)CC1 AC-53397 [0,0,0,0,0,0|2,0,0]=2 68 B7R1.2 O=C1C=C(O)CO1 AC-65559 [0,0,0,0,0,0|1,0,1]=2 69 B7R1.2 O=C1CSC(=O)N1 AC-13374 [0,0,0,0,0,0|2,1,0]=3 70 B7R1.2 O=C1OCC(F)O1 AC-66136 [0,0,0,0,0,0|3,0,1]=4 71 B6R1.2 BrC1=CC=CS1 AC-13542 [1,0,0,0,0,0|1,1,1]=4 72 B6R1.2 BrC1=CC=NN1 AC-77336 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 BrC1=CCCC1 AC-37861 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.2 BrC1=COC=C1 AC-76818 [1,0,0,0,0,0|1,0,1]=3 75 B6R1.2 BrC1=CSC=C1 AC-13152 [1,0,0,0,0,0|1,1,1]=4 76 B6R1.2 BrC1=NNC=C1 AC-25466 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 BrC1=NOC=C1 AC-44673 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 BrC1=NSC=C1 AC-33995 [1,0,0,0,0,0|2,1,0]=4 79 B6R1.2 CC1=CC=CN1 AC-76876 [1,0,0,0,0,0|1,0,1]=3 80 B6R1.2 CC1=CC=CS1 AC-13544 [1,0,0,0,0,0|0,1,1]=3 81 B6R1.2 CC1=CC=NO1 AC-61136 [1,0,0,0,0,0|1,0,0]=2 82 B6R1.2 CC1=CN=CS1 AC-61630 [1,0,0,0,0,0|1,1,1]=4 83 B6R1.2 CC1=CNC=C1 AC-31721 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 CC1=CNC=N1 AC-74092 [1,0,0,0,0,0|2,0,1]=4 85 B6R1.2 CC1=CNN=C1 AC-40914 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 CC1=CNN=N1 AC-81046 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 CC1=CSC=C1 AC-13559 [1,0,0,0,0,0|2,0,0]=3 88 B6R1.2 CC1=CSC=N1 AC-70267 [1,0,0,0,0,0|2,0,1]=4 89 B6R1.2 CC1=NC=CO1 AC-79510 [1,0,0,0,0,0|1,0,1]=3 90 B6R1.2 CC1=NC=CS1 AC-13530 [1,0,0,0,0,0|1,1,1]=4 91 B6R1.2 CC1=NCCC1 AC-76756 [1,0,0,0,0,0|1,0,2]=4 92 B6R1.2 CC1=NCCO1 AC-82993 [1,0,0,0,0,0|1,0,1]=3 93 B6R1.2 CC1=NN=CO1 AC-80084 [1,0,0,0,0,0|2,0,1]=4 94 B6R1.2 CC1=NNC=C1 AC-31436 [1,0,0,0,0,0|2,0,0]=3 95 B6R1.2 CC1=NOC=C1 AC-79826 [1,0,0,0,0,0|2,0,0]=3 96 B6R1.2 CC1=NON=C1 AC-91556 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.2 CN1C=CC=N1 AC-40913 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 CN1C=CN=N1 AC-31956 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 ClC1=CC=NN1 AC-81136 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.2 ClC1=CSC=C1 AC-13557 [1,0,0,0,0,0|1,1,1]=4 101 B6R1.2 FC1=CC=NN1 AC-88376 [1,0,0,0,0,0|3,0,0]=4 102 B6R1.2 IC1=CC=CS1 AC-13543 [1,0,0,0,0,0|1,1,1]=4 103 B6R1.2 IC1=CC=NN1 AC-77422 [1,0,0,0,0,0|3,0,0]=4 104 B6R1.2 NC1=CC=CS1 AC-84538 [1,0,0,0,0,0|1,1,1]=4 105 B6R1.2 NC1=CC=CS1 AC-87247 [1,0,0,0,0,0|1,1,1]=4 106 B6R1.2 NC1=CC=NN1 AC-75921 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 NC1=CC=NO1 AC-30090 [1,0,0,0,0,0|2,0,0]=3 108 B6R1.2 NC1=CC=NS1 AC-82048 [1,0,0,0,0,0|2,1,0]=4 109 B6R1.2 NC1=COC=C1 AC-86478 [1,0,0,0,0,0|1,0,1]=3 110 B6R1.2 NC1=COC=N1 AC-86667 [1,0,0,0,0,0|2,0,1]=4 111 B6R1.2 NC1=CON=C1 AC-32168 [1,0,0,0,0,0|2,0,1]=4 112 B6R1.2 NC1=CON=C1 AC-80755 [1,0,0,0,0,0|2,0,1]=4 113 B6R1.2 NC1=CSC=C1 AC-46207 [1,0,0,0,0,0|1,1,1]=4 114 B6R1.2 NC1=CSC=C1 AC-81635 [1,0,0,0,0,0|1,1,1]=4 115 B6R1.2 NC1=NC=CO1 AC-40000 [1,0,0,0,0,0|2,0,1]=4 116 B6R1.2 NC1=NNC=C1 AC-12678 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 NC1=NOC=C1 AC-15172 [1,0,0,0,0,0|2,0,0]=3 118 B6R1.2 O=C1CC=CC1 AC-37498 [1,0,0,0,0,0|1,0,1]=3 119 B6R1.2 O=C1CCNC1 AC-22267 [1,0,0,0,0,0|1,0,2]=4 120 B6R1.2 O=C1CCOC1 AC-39237 [1,0,0,0,0,0|0,0,2]=3 121 B6R1.2 O=C1CNCN1 AC-81166 [1,0,0,0,0,0|2,0,1]=4 122 B6R1.2 O=C1OCCO1 AC-76852 [1,0,0,0,0,0|2,0,1]=4 123 B6R1.2 OC1=CSC=C1 AC-80187 [1,0,0,0,0,0|0,1,2]=4 124 B8R1.1 CC1=CC(C#N)=CS1 AC-89530 [0,1,0,0,0,0|1,1,1]=4 125 B8R1.1 CC1=CC(C#N)=NO1 AC-79340 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.1 CC1=CC(CBr)=NO1 AC-76495 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.1 CC1=CC(CCl)=NO1 AC-17450 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.1 CC1=CSC(C=O)=N1 AC-31848 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 CC1=CSC(CO)=C1 AC-42277 [0,1,0,0,0,0|1,1,1]=4 130 B8R1.1 CC1=NC(C#N)=CO1 AC-86791 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.1 CC1=NC(C=O)=CN1 AC-31004 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.1 CC1=NC(C=O)=CO1 AC-31285 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.1 CC1=NC(C=O)=CS1 AC-31847 [0,1,0,0,0,0|1,1,1]=4 134 B8R1.1 CC1=NC(CBr)=CO1 AC-94273 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.1 CC1=NC(CN)=CO1 AC-82857 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.1 CC1=NC(CO)=CO1 AC-75448 [0,1,0,0,0,0|1,0,2]=4 137 B8R1.1 CC1=NC=C(C=O)S1 AC-31845 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.1 CC1=NOC(CCl)=N1 AC-45092 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.1 CCC1=NNC(N)=C1 AC-29251 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 CCC1=NOC(N)=C1 AC-89811 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.1 CCN1CCC(=O)C1 AC-96216 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.1 CN1C=C(C=O)C=N1 AC-31588 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.1 CN1C=NC(C=O)=C1 AC-31005 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.1 COC1=CC(N)=NN1 AC-92102 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.1 CSC1=CC(N)=NN1 AC-31922 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.1 ClCC1=CC(Br)=NO1 AC-39670 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.1 NC1=CC(CO)=NS1 AC-83230 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.1 NCC1=CC(Br)=CS1 AC-25572 [0,1,0,0,0,0|1,1,1]=4 149 B8R1.1 NCC1=CC(Br)=CS1 AC-86958 [0,1,0,0,0,0|1,1,1]=4 150 B8R1.1 O=C1C=C(CBr)CO1 AC-39233 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.1 O=C1CC[C@@H](CO)N1 AC-45768 [0,1,0,0,0,0|2,0,1]=4 152 B8R1.1 O=C1CC[C@H](CBr)N1 AC-25275 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.1 O=C1CC[C@H](CO)N1 AC-45740 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.1 O=CC1=CC(Br)=CO1 AC-18437 [0,1,0,0,0,0|1,0,2]=4 155 B8R1.1 O=CC1=CC(Cl)=CS1 AC-46216 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.1 O=CC1=CC(F)=CN1 AC-86957 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.1 O=CC1=CC(F)=CS1 AC-86846 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.1 O=CC1=CC(I)=CN1 AC-81350 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.1 O=CC1=CSC(Cl)=C1 AC-70111 [0,1,0,0,0,0|1,1,1]=4 160 B8R1.1 O=CC1=CSC(F)=C1 AC-91882 [0,1,0,0,0,0|1,1,1]=4 161 B8R1.1 O=CC1=CSC(I)=C1 AC-82473 [0,1,0,0,0,0|1,1,1]=4 162 B8R1.1 OCC1=CC(Br)=CN1 AC-84383 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.1 OCC1=CC(Br)=CS1 AC-72294 [0,1,0,0,0,0|1,1,1]=4 164 B8R1.1 OCC1=CC(Br)=NO1 AC-39676 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.1 OCC1=CSC(Br)=C1 AC-84572 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.1 OCC1=CSC(Cl)=C1 AC-89471 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.18 CC1=C(C)OC(=O)O1 AC-13848 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.18 CC1=C(Cl)SC(Cl)=C1 AC-16187 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.18 CC1=CC(=O)N(C)N1 AC-14066 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.18 CC1=CC(=O)N(C)N1 AC-81020 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.18 CC1=CC(=O)OC1=O AC-85403 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.18 CC1=CC(=O)OC1O AC-14034 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.18 CC1=CC(Br)=NN1C AC-82525 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.18 CC1=CC(C)=NN1C AC-50261 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.18 CC1=CC(I)=C(C)S1 AC-88241 [0,1,0,0,0,0|1,1,1]=4 176 B8R1.18 CC1=CC(N)=NN1C AC-41525 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.18 CC1=NC(C)=C(C)O1 AC-76171 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.18 CC1=NN(C)C(N)=C1 AC-17135 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.18 CC1NC(=S)NC1=O AC-31943 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.18 CN1SC(Cl)=CC1=O AC-26171 [0,1,0,0,0,0|2,1,0]=4 181 B8R1.18 C[C@H]1NC(=O)OC1=O AC-77009 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.18 NC1CC(=O)OC1=O AC-81610 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.18 NC1CC(=O)OC1=O AC-89262 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.18 O=C1C=C(Br)C(=O)N1 AC-92051 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.18 O=C1C=C(Br)C(=O)O1 AC-86708 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.50 CC1=C(Br)C(N)=NN1 AC-43467 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.50 CC1=C(C)C(N)=NN1 AC-80447 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.50 CC1=C(C)C(N)=NO1 AC-28474 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.50 CC1=C(Cl)C(N)=NN1 AC-94013 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.50 CC1=CNC(C)=C1C AC-77308 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.50 CC1=CSC(C)=C1Br AC-80415 [0,1,0,0,0,0|1,1,1]=4 192 B8R1.50 CC1=NNC(C)=C1Br AC-18406 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.50 CC1=NNC(C)=C1I AC-23427 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.50 CC1=NNC(C)=C1N AC-50268 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.50 CC1=NOC(C)=C1I AC-23428 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.50 CC1CCC(=O)C1=O AC-13924 [0,1,0,0,0,0|1,0,1]=3 197 B8R1.50 CC1CCC(=O)C1=O AC-95075 [0,1,0,0,0,0|1,0,1]=3 198 B8R1.50 CC1CCC(=O)C1=O AC-96413 [0,1,0,0,0,0|1,0,1]=3 199 B8R1.50 CN1C(=O)CCC1=O AC-86785 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.50 O=C1CCC(=O)N1Br AC-76738 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.50 O=C1COC(=O)C1Br AC-87590 [0,1,0,0,0,0|1,0,1]=3 202 B8R1.51 CC1(C)CCC(=O)N1 AC-44987 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.51 CC1(C)CCC(=O)O1 AC-83139 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.1 CCOC(=O)CN AC-65788 [0,0,1,0,0,0|2,0,1]=4 205 B6R0.1 CCOC(=O)CO AC-76790 [0,0,1,0,0,0|1,0,1]=3 206 B6R0.2 CC(C)=CB(O)O AC-73974 [0,0,1,0,0,0|3,0,0]=4 207 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [0,0,1,0,0,0|1,0,2]=4 208 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [0,0,1,0,0,0|1,0,2]=4 209 B6R0.2 N=C(O)NC(N)=O AC-76846 [0,0,1,0,0,0|3,0,0]=4 210 B6R0.4 CNCCC(C)=O AC-83135 [0,0,1,0,0,0|2,0,1]=4 211 B8R1.3 CC1=CC=C(I)C=C1 AC-23802 [0,0,0,0,0,1|2,0,1]=4 212 B8R1.3 CC1=CN=C(Br)C=N1 AC-25249 [0,0,0,0,0,1|2,0,1]=4 213 B8R1.3 CC1=CN=C(Br)N=C1 AC-79728 [0,0,0,0,0,1|3,0,0]=4 214 B8R1.3 CC1=CN=C(C)C=N1 AC-23458 [0,0,0,0,0,1|2,0,1]=4 215 B8R1.3 CC1=CN=C(Cl)C=N1 AC-26222 [0,0,0,0,0,1|2,0,1]=4 216 B8R1.3 CC1=CN=C(Cl)N=C1 AC-26255 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.3 CC1=CN=C(F)C=C1 AC-10221 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.3 CC1=CN=C(I)C=C1 AC-76424 [0,0,0,0,0,1|2,0,1]=4 219 B8R1.3 CC1=CN=C(N)C=C1 AC-10286 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.3 CC1=CN=C(N)C=N1 AC-31574 [0,0,0,0,0,1|2,0,1]=4 221 B8R1.3 CC1=CN=C(N)N=C1 AC-57378 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.3 CC1=CN=C(O)C=C1 AC-74009 [0,0,0,0,0,1|1,0,2]=4 223 B8R1.3 CC1=CNC(=O)C=C1 AC-17066 [0,0,0,0,0,1|1,0,1]=3 224 B8R1.3 CC1=CNC(=S)N=C1 AC-93115 [0,0,0,0,0,1|2,1,0]=4 225 B8R1.3 CC1=NC=C(Br)C=C1 AC-76795 [0,0,0,0,0,1|2,0,1]=4 226 B8R1.3 CC1=NC=C(Br)C=N1 AC-25271 [0,0,0,0,0,1|2,0,1]=4 227 B8R1.3 CC1=NC=C(Cl)C=C1 AC-26234 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.3 CC1=NC=C(O)C=N1 AC-26627 [0,0,0,0,0,1|1,0,2]=4 229 B8R1.3 CC1=NN=C(Cl)C=C1 AC-26224 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.3 CC1=NN=C(N)C=C1 AC-31614 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.3 CC1=NN=C(O)C=C1 AC-69289 [0,0,0,0,0,1|2,0,1]=4 232 B8R1.3 CC1=NNC(=O)C=C1 AC-31618 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.3 CC1=NNC(=O)CC1 AC-23292 [0,0,0,0,0,1|2,0,0]=3 234 B8R1.3 CN1CCC(=O)CC1 AC-40555 [0,0,0,0,0,1|2,0,1]=4 235 B8R1.3 O=C1C=CC(=O)N=N1 AC-85796 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.3 O=C1CCC(=O)CC1 AC-15275 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.3 O=C1CCC(=O)NC1 AC-63916 [0,0,0,0,0,1|2,0,1]=4 238 B8R1.4 CC1=CC(Br)=NC=C1 AC-11634 [0,0,0,0,0,1|2,0,1]=4 239 B8R1.4 CC1=CC(Cl)=NC=C1 AC-11494 [0,0,0,0,0,1|2,0,1]=4 240 B8R1.4 CC1=CC(Cl)=NN=C1 AC-26227 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.4 CC1=CC(N)=NN=C1 AC-31615 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.4 CC1=CC(O)=NC=C1 AC-12134 [0,0,0,0,0,1|1,0,2]=4 243 B8R1.4 CC1=CC=CC(I)=C1 AC-13367 [0,0,0,0,0,1|2,0,1]=4 244 B8R1.4 CC1=CN=CC(F)=C1 AC-11694 [0,0,0,0,0,1|2,0,1]=4 245 B8R1.4 CC1=CN=CC(O)=C1 AC-30995 [0,0,0,0,0,1|1,0,2]=4 246 B8R1.4 CC1=NC=CC(=O)N1 AC-31714 [0,0,0,0,0,1|2,0,1]=4 247 B8R1.4 CC1=NC=CC(F)=C1 AC-79883 [0,0,0,0,0,1|2,0,1]=4 248 B8R1.4 CC1=NC=CC(N)=C1 AC-15392 [0,0,0,0,0,1|2,0,1]=4 249 B8R1.4 CC1=NC=NC(Cl)=C1 AC-26259 [0,0,0,0,0,1|2,0,1]=4 250 B8R1.4 CC1=NC=NC(O)=C1 AC-42347 [0,0,0,0,0,1|1,0,2]=4 251 B8R1.4 CC1=NC=NC(O)=C1 AC-56624 [0,0,0,0,0,1|1,0,2]=4 252 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,0,0,0,0,1|0,0,2]=3 253 B8R1.4 CC1CCOC(=O)C1 AC-96315 [0,0,0,0,0,1|1,0,2]=4 254 B8R1.4 CC1CNCC(=O)N1 AC-41442 [0,0,0,0,0,1|2,0,1]=4 255 B8R1.4 CN1CCCC(=O)C1 AC-84159 [0,0,0,0,0,1|2,0,1]=4 256 B8R1.4 CN1CCOC(=O)C1 AC-91581 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.4 NC1=CC(=O)CCC1 AC-32464 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.4 NC1=CC(=O)NN=C1 AC-69310 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.4 O=C1C=C(Br)CCN1 AC-87554 [0,0,0,0,0,1|2,0,0]=3 260 B8R1.4 O=C1C=C(I)C=NN1 AC-29989 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.4 O=C1C=C(O)CCN1 AC-80226 [0,0,0,0,0,1|2,0,0]=3 262 B8R1.4 O=C1CCCC(=O)O1 AC-61739 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.4 O=C1CNCC(=O)C1 AC-93153 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.4 O=C1CNCC(=O)N1 AC-95356 [0,0,0,0,0,1|3,0,0]=4 265 B5R1.1 C1=CCNC1 AC-93805 [2,0,0,0,0,0|1,0,1]=4 266 B5R1.1 C1=CNN=C1 AC-14505 [2,0,0,0,0,0|2,0,0]=4 267 B5R1.1 C1=COCC1 AC-74091 [2,0,0,0,0,0|0,0,1]=3 268 B5R1.1 C1=C[CH-]C=C1 AC-74053 [2,0,0,0,0,0|1,0,1]=4 269 B7R0.2 COC(=O)\C=C(\C)N AC-76771 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [0,1,1,0,0,0|1,0,1]=4 271 B7R0.6 CC(=O)NCC(=O)O AC-22388 [0,1,1,0,0,0|2,0,0]=4 272 B7R1.1 BrCC1=CC=CO1 AC-83854 [1,1,0,0,0,0|0,0,1]=3 273 B7R1.1 BrCC1=COC=C1 AC-76496 [1,1,0,0,0,0|1,0,1]=4 274 B7R1.1 BrCC1=CSC=C1 AC-16184 [1,1,0,0,0,0|2,0,0]=4 275 B7R1.1 BrCC1=NOC=C1 AC-44488 [1,1,0,0,0,0|2,0,0]=4 276 B7R1.1 ClCC1=CC=CS1 AC-26301 [1,1,0,0,0,0|0,1,1]=4 277 B7R1.1 ClCC1=NOC=C1 AC-94658 [1,1,0,0,0,0|2,0,0]=4 278 B7R1.1 N#CC1=CC=NO1 AC-81006 [1,1,0,0,0,0|1,0,1]=4 279 B7R1.1 N#CC1=NOC=C1 AC-30087 [1,1,0,0,0,0|2,0,0]=4 280 B7R1.1 NCC1=CC=CN1 AC-94850 [1,1,0,0,0,0|1,0,1]=4 281 B7R1.1 NCC1=CC=CS1 AC-13549 [1,1,0,0,0,0|0,1,1]=4 282 B7R1.1 NCC1=CC=NO1 AC-34902 [1,1,0,0,0,0|1,0,0]=3 283 B7R1.1 NCC1=CC=NO1 AC-82629 [1,1,0,0,0,0|1,0,0]=3 284 B7R1.1 NCC1=CN=CO1 AC-77227 [1,1,0,0,0,0|1,0,1]=4 285 B7R1.1 NCC1=CNC=C1 AC-86964 [1,1,0,0,0,0|2,0,0]=4 286 B7R1.1 NCC1=CSC=C1 AC-46249 [1,1,0,0,0,0|2,0,0]=4 287 B7R1.1 NCC1=NC=CO1 AC-88063 [1,1,0,0,0,0|1,0,1]=4 288 B7R1.1 NCC1=NNC=C1 AC-34918 [1,1,0,0,0,0|2,0,0]=4 289 B7R1.1 NCC1=NNC=C1 AC-75399 [1,1,0,0,0,0|2,0,0]=4 290 B7R1.1 NCC1=NOC=C1 AC-87053 [1,1,0,0,0,0|2,0,0]=4 291 B7R1.1 O=CC1=CC=CS1 AC-61053 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.1 O=CC1=CC=NN1 AC-80397 [1,1,0,0,0,0|2,0,0]=4 293 B7R1.1 O=CC1=CC=NO1 AC-42863 [1,1,0,0,0,0|1,0,1]=4 294 B7R1.1 O=CC1=CCCC1 AC-80756 [1,1,0,0,0,0|1,0,1]=4 295 B7R1.1 O=CC1=CNC=C1 AC-63694 [1,1,0,0,0,0|1,0,1]=4 296 B7R1.1 O=CC1=COC=C1 AC-61908 [1,1,0,0,0,0|0,0,1]=3 297 B7R1.1 O=CC1=CON=C1 AC-42862 [1,1,0,0,0,0|1,0,1]=4 298 B7R1.1 O=CC1=CSC=C1 AC-13155 [1,1,0,0,0,0|0,1,1]=4 299 B7R1.1 O=CC1=NNC=C1 AC-40933 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.1 O=CC1=NNC=C1 AC-94677 [1,1,0,0,0,0|2,0,0]=4 301 B7R1.1 OCC1=CC=CN1 AC-87348 [1,1,0,0,0,0|1,0,1]=4 302 B7R1.1 OCC1=CC=NO1 AC-80699 [1,1,0,0,0,0|1,0,0]=3 303 B7R1.1 OCC1=CN=CO1 AC-45049 [1,1,0,0,0,0|1,0,1]=4 304 B7R1.1 OCC1=COC=C1 AC-45361 [1,1,0,0,0,0|0,0,2]=4 305 B7R1.1 OCC1=CSC=C1 AC-62945 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.1 OCC1=NC=CO1 AC-90952 [1,1,0,0,0,0|1,0,1]=4 307 B7R1.1 OCC1=NNC=C1 AC-40869 [1,1,0,0,0,0|2,0,0]=4 308 B7R1.1 OCC1=NNC=C1 AC-45347 [1,1,0,0,0,0|2,0,0]=4 309 B7R1.4 BrC1=COC=C1Br AC-27454 [1,1,0,0,0,0|1,0,1]=4 310 B7R1.4 CC1=C(Br)C=CS1 AC-25294 [1,1,0,0,0,0|0,1,1]=4 311 B7R1.4 CC1=C(Br)C=NN1 AC-77463 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.4 CC1=C(C)OC=N1 AC-95517 [1,1,0,0,0,0|1,0,1]=4 313 B7R1.4 CC1=C(Cl)SC=C1 AC-13378 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.4 CC1=C(I)C=NN1 AC-56064 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.4 CC1=C(N)C=NO1 AC-89714 [1,1,0,0,0,0|1,0,0]=3 316 B7R1.4 CC1=C(N)SC=C1 AC-85843 [1,1,0,0,0,0|2,0,0]=4 317 B7R1.4 CC1=C(N)SC=C1 AC-89988 [1,1,0,0,0,0|2,0,0]=4 318 B7R1.4 CC1=CC=NN1C AC-28545 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.4 CC1=CON=C1N AC-42718 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.4 CC1=NNC=C1Br AC-15612 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.4 CC1=NOC=C1N AC-43260 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.4 CC1=NSC=C1N AC-89628 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.4 CC1OCCC1=O AC-16100 [1,1,0,0,0,0|0,0,2]=4 324 B7R1.4 NC1=NOC=C1I AC-84739 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.4 O=C1CCC=C1O AC-79761 [1,1,0,0,0,0|1,0,0]=3 326 B7R1.4 O=C1CCNC1=O AC-91977 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.4 O=C1OCC=C1Br AC-89416 [1,1,0,0,0,0|1,0,0]=3 328 B7R1.14 O=S1(=O)C=CCO1 AC-77381 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.10 O=C1CC(CBr)C1 AC-82042 [0,1,0,0,1,0|0,0,2]=4 330 B7R1.10 O=C1CC(CO)C1 AC-81896 [0,1,0,0,1,0|0,0,2]=4 331 B9R1.1 NCC1=CNC(=O)C=C1 AC-83927 [0,1,0,0,0,1|1,0,1]=4 332 B9R1.1 O=C1C=CC(CO)=CO1 AC-85566 [0,1,0,0,0,1|1,0,1]=4 333 B9R1.69 CC1=CN(C)C(=O)N=C1 AC-84981 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.69 CC1=CNC(=O)C(C)=C1 AC-76557 [0,1,0,0,0,1|1,0,1]=4 335 B9R1.69 CC1=CNC(=O)N=C1N AC-58132 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.69 CC1=CNC(=O)NC1=O AC-13903 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.69 CC1=CNC(=O)NC1=S AC-85869 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.2 CC1=CC(C=O)=CC=C1 AC-14297 [0,1,0,0,0,1|1,0,1]=4 339 B9R1.2 CC1=NC=CC(C=O)=C1 AC-31635 [0,1,0,0,0,1|1,0,1]=4 340 B9R1.2 NCC1=CC(=O)NC=C1 AC-69572 [0,1,0,0,0,1|1,0,1]=4 341 B9R1.2 O=C1C=CNC(CO)=C1 AC-80244 [0,1,0,0,0,1|1,0,1]=4 342 B9R1.34 CC1=CC(O)=CC(=O)O1 AC-58013 [0,1,0,0,0,1|0,0,2]=4 343 B9R1.66 CC1(C)CC(=O)CCO1 AC-40742 [0,1,0,0,0,1|0,0,2]=4 344 B9R1.7 CCOC1=NOC(C)=C1 AC-95359 [0,2,0,0,0,0|1,0,1]=4 345 B9R1.7 CNCC1=CC(C)=NO1 AC-54224 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.21 N#CC1=COC(CN)=C1 AC-32390 [0,2,0,0,0,0|1,0,1]=4 347 B9R1.22 CC1=NC(C=O)=C(C)O1 AC-76195 [0,2,0,0,0,0|1,0,1]=4 348 B9R1.22 CC1=NN(C)C(C=O)=C1 AC-18637 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.23 CC1=CC(C=O)=NN1C AC-45024 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.35 CC(=O)C1=CC(C)=NO1 AC-30560 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.35 CC(=O)C1=COC(C)=N1 AC-82686 [0,2,0,0,0,0|1,0,1]=4 352 B9R1.35 CC1=CC(C(=O)O)=CO1 AC-94933 [0,2,0,0,0,0|0,0,1]=3 353 B9R1.35 CC1=CC(C(=O)O)=CS1 AC-46230 [0,2,0,0,0,0|0,1,1]=4 354 B9R1.35 CC1=CC(C(=O)O)=NN1 AC-31596 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.35 CC1=CC(C(N)=O)=NO1 AC-80642 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 AC-31267 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 AC-77285 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.35 CC1=NC(C(=O)O)=CO1 AC-31289 [0,2,0,0,0,0|1,0,1]=4 359 B9R1.35 CC1=NC(C(=O)[O-])=NO1 AC-91957 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.35 CC1=NNC(C(=O)O)=C1 AC-31595 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.35 CC1=NOC(C(=O)O)=C1 AC-31110 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.35 NC1=CC(C(=O)O)=NO1 AC-84985 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.35 O=C(O)C1=COC(Br)=C1 AC-45509 [0,2,0,0,0,0|1,0,1]=4 364 B9R1.132 CC1=CNC(C=O)=C1C AC-70085 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.37 CC1=C(O)C(=O)OC1C AC-28455 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.38 CC1(C)OC(=O)CC1=O AC-15372 [0,2,0,0,0,0|1,0,1]=4 367 B9R1.27 CC1=NOC(C)=C1C=O AC-18615 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.27 CC1=NOC(C)=C1CCl AC-17445 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.27 CC1=NOC(C)=C1CN AC-28479 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.27 CCC1=C(C)CNC1=O AC-11714 [0,2,0,0,0,0|2,0,0]=4 371 B7R1.3 O=C1C=CCCN1 AC-80994 [0,0,1,1,0,0|2,0,0]=4 372 B7R1.18 O=C(O)C1CCO1 AC-40084 [0,0,1,1,0,0|1,0,1]=4 373 B5R1.2 O=C1CSC1 AC-80488 [1,0,0,0,1,0|0,1,1]=4