0 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 N#CC#CC1=CC=CC=C1 AK-88636 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 N#C\C=C\C1=CC=CC=C1 AK208737 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [0,0,0,0,0,0|1,0,1]=2 22 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 C1=CC=NN=C1OCC AK-50551 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 CCCC1=NC=CN=C1 AK305719 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 CCNC1=CC=CN=C1 AK126739 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CCNC1=NC=CN=C1 AK159718 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.1 CC1=CC=C(OCCO)C=C1 AK187911 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [0,1,0,0,0,0|0,0,0]=1 64 B11R1.1 FC1=CC=C(OCCBr)C=C1 AK135025 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.1 FC1=CC=C(OCCN)C=C1 AK136704 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.1 OCCCC1=CC=C(Br)N=C1 AK-80543 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [0,1,0,0,0,0|1,0,1]=3 83 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.17 N#CCCC1=CC=CC=C1Cl AK115012 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.17 OCCCC1=CC=CC=C1Br AK-48306 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.24 COCOC1=CC(F)=CC=C1 AK101350 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.28 N#CCNCC1=CC=CC=C1 AK102724 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.28 NCCSSC1=NC=CC=C1 AK117721 [0,1,0,0,0,0|2,1,0]=4 106 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [0,1,0,0,0,0|0,0,1]=2 107 B11R1.28 OCCC#CC1=CC=NC=C1 AK146717 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.28 OCCC#CC1=NC=CC=C1 AK146719 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,1,0,0,0,0|1,0,2]=4 115 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,1,0,0,0,0|1,1,1]=4 126 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,1,0,0,0,0|3,0,0]=4 131 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [0,0,0,1,0,0|2,0,1]=4 132 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,0,0,1,0,0|2,0,1]=4 133 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,0,0,1,0,0|1,0,1]=3 134 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [0,0,0,1,0,0|2,0,1]=4 135 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [0,0,0,1,0,0|3,0,0]=4 136 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [0,0,0,1,0,0|2,0,1]=4 137 B11R2.1 CN1C=NC2=C1C=CC=C2 AK-51670 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [0,0,0,1,0,0|2,0,1]=4 139 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [0,0,0,1,0,0|2,0,0]=3 140 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [0,0,0,1,0,0|2,0,0]=3 141 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [0,0,0,1,0,0|3,0,0]=4 142 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [0,0,0,1,0,0|2,0,0]=3 143 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [0,0,0,1,0,0|2,0,0]=3 144 B11R2.1 N[C@H]1COC2=CC=CC=C12 AK172653 [0,0,0,1,0,0|3,0,0]=4 145 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,0,0,1,0,0|2,0,1]=4 146 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,0,0,1,0,0|1,0,1]=3 147 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [0,0,0,1,0,0|2,0,1]=4 148 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [0,0,0,1,0,0|2,0,0]=3 149 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,1,0,0|2,0,0]=3 151 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [0,0,0,1,0,0|1,0,0]=2 152 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [0,0,0,1,0,0|2,0,0]=3 153 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [0,0,0,1,0,0|2,0,0]=3 154 B11R2.20 C12=C(NCCC1)C=CC=C2 AK-26990 [0,0,0,1,0,0|2,0,0]=3 155 B11R2.20 C12=CC=CC=C1NCCO2 AK-45913 [0,0,0,1,0,0|3,0,0]=4 156 B11R2.20 C12=CC=CC=C1NCCS2 AK116388 [0,0,0,1,0,0|3,0,0]=4 157 B11R2.20 C12=CC=NC=C1CNCC2 AK-76649 [0,0,0,1,0,0|2,0,0]=3 158 B11R2.20 C12=NC=NC=C1CNCC2 AK-50803 [0,0,0,1,0,0|3,0,0]=4 159 B11R2.20 C12=NC=NC=C1CNCC2 AK162953 [0,0,0,1,0,0|3,0,0]=4 160 B11R2.20 C1=C2NCCNC2=CC=C1 AK-34780 [0,0,0,1,0,0|3,0,0]=4 161 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [0,0,0,1,0,0|2,0,0]=3 162 B11R2.20 C1=NC2=C(N=C1)CCCC2 AK-34766 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.20 C1CC2=C(C=CC=C2)C=N1 AK-25112 [0,0,0,1,0,0|1,0,1]=3 164 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [0,0,0,1,0,0|0,0,0]=1 165 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [0,0,0,1,0,0|3,0,0]=4 166 B11R2.20 N1=CN=CC2=C1CCNC2 AK-24594 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [0,0,0,1,0,0|2,0,0]=3 168 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,0,0,0,1,0|2,0,0]=3 171 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,0,0,0,1,0|1,0,0]=2 172 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,1,0,0,0|1,0,0]=3 173 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|1,0,0]=3 177 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.2 CNC1=CC=CN=C1 AK-72893 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 COC1=CC=CN=C1 AK-76565 [2,0,0,0,0,0|1,0,0]=3 181 B8R1.2 COC1=CC=CN=N1 AK-28954 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 COC1=CN=CN=C1 AK-31068 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 185 B8R1.2 NCC1=CC=NC=C1 AK-25866 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 NCC1=CC=NC=C1 AK-50006 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|1,0,0]=3 189 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|1,0,0]=3 190 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|1,0,0]=3 191 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|1,0,0]=3 192 B8R1.2 OCC1=CN=CN=C1 AK-32022 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.2 OCC1=NC=CC=N1 AK-25156 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 OCC1=NC=NC=C1 AK-31889 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|1,0,0]=3 197 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,1,0,0,0,0|0,0,0]=2 201 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.1 C1=CC(=NN=C1OCC)N AK-24902 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|0,0,0]=2 211 B10R1.1 CCOC1=CC=C(Cl)N=N1 AK-53475 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,1,0,0,0,0|0,0,0]=2 213 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.1 CCOC1=CN=C(N)C=N1 AK-24225 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.1 CCOC1=NC=C(Br)C=N1 AK-83464 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|0,0,0]=2 230 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|0,0,0]=2 238 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|0,0,0]=2 239 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.4 C1=C(C(=CC=C1)CC#N)Br AK-45669 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.4 CC1=CC=CC=C1CCO AK117334 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.4 CCOC1=C(N)C=CN=C1 AK100670 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.4 CCOC1=NC=CC=C1Br AK-45982 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.4 COCC1=NC=CN=C1Cl AK-52707 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.4 N#CCC1=CC=CC=C1F AK-48152 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.4 N#CCC1=CC=CC=C1N AK-88479 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.4 NC1=C(OCC)C=CN=C1 AK-59659 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.4 NC1=NC=CN=C1OCC AK-23934 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.4 OC1=CC=CC=C1CCN AK114741 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,1,0,0,0,0|0,0,0]=2 264 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [1,1,0,0,0,0|0,0,0]=2 265 B10R1.4 OCCC1=CC=CC=C1I AK149280 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.10 CCOC1=CC(Br)=NC=C1 AK146932 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.10 CCOC1=CC(Cl)=NC=C1 AK114104 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [1,1,0,0,0,0|0,0,0]=2 277 B10R1.10 CCOC1=CC=CC(Br)=C1 AK-44617 [1,1,0,0,0,0|0,0,0]=2 278 B10R1.10 CCOC1=CN=CC(N)=C1 AK100109 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.10 CCOC1=NC=CC(Br)=C1 AK129551 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.10 CCOC1=NC=NC(C)=C1 AK-35271 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.10 CNCC1=CC(=CN=C1)Br AK-50635 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.10 COCC1=NC(Cl)=NC=C1 AK-52710 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.10 FC1=NC=CC(OCC)=C1 AK-64190 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.10 N#CCC1=CC=CC(F)=C1 AK-27132 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.10 N#CCC1=CC=CC(N)=C1 AK-76735 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.10 NC1=CC(=NC=C1)NCC AK-47602 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.10 NNCC1=CC=CC(Cl)=C1 AK163398 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [0,1,0,0,1,0|1,0,1]=4 332 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [0,1,0,0,1,0|1,0,1]=4 333 B10R1.16 CCOCC1=CN=C(Cl)S1 AK-52717 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,1,0,0,1,0|2,0,0]=4 335 B10R1.29 CCCCC1=C(Br)SC=C1 AK-88319 [0,1,0,0,1,0|2,0,0]=4 336 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [0,1,0,0,1,0|1,0,1]=4 337 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.1 COCCOC1=CC=C(Br)C=C1 AK312402 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.1 COCCOC1=CC=C(N)C=C1 AK105500 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.1 NC1=CC=C(OCCCC)C=C1 AK-51310 [0,2,0,0,0,0|1,0,0]=3 341 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [0,2,0,0,0,0|1,0,0]=3 342 B12R1.1 OC1=CC=C(OCCCC)C=C1 AK114215 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.16 C(C)OC(=O)C1=NC=C(C=C1)Br AK-26326 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O AK-25676 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.16 C(OC(=O)C1=CNC(=O)C=C1)C AK-25535 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.16 C1=C(C(OCC)=O)C=CC(=C1)Br AK-47339 [0,2,0,0,0,0|0,0,1]=3 347 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [0,2,0,0,0,0|0,0,1]=3 348 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 AK-47039 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AK-29299 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.16 NC(CCO)C1=CC=C(C=C1)Cl AK-50547 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.16 NC(CCO)C1=CC=C(C=C1)F AK-39303 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.16 O=C(OCC)C1=CC=C(Cl)C=C1 AK109118 [0,2,0,0,0,0|0,0,1]=3 355 B12R1.16 O=C(OCC)C1=CC=C(I)C=C1 AK-43962 [0,2,0,0,0,0|0,0,1]=3 356 B12R1.16 O=C(OCC)C1=CC=C(N)C=C1 AK-46733 [0,2,0,0,0,0|0,0,1]=3 357 B12R1.16 O=C(OCC)C1=CC=C(O)C=C1 AK-49315 [0,2,0,0,0,0|0,0,1]=3 358 B12R1.16 O=C(OCC)C1=CN=C(N)C=C1 AK-32375 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.16 O=C(OCC)C1=NC=C(C)C=C1 AK-68218 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.16 O=C(OCC)C1=NC=C(N)C=C1 AK112557 [0,2,0,0,0,0|1,0,1]=4 361 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.16 OCC[C@H](N)C1=CC=C(N)C=C1 AK310897 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.69 CCOCC1=CN=C(Cl)N=C1Cl AK-52647 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.69 OC1=CC=C(CCCC)C(O)=C1 AK-81459 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.71 C(CCC)C1=CC=C(C=C1)C#C AK-47214 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.71 CCCOC1=CC=C(C#C)C=C1 AK-88362 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.71 CCCOC1=CC=C(C=O)C=C1 AK110805 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.71 CCNCC1=CC=C(OC)C=C1 AK-44604 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.71 N#CC1=CC=C(CCCO)C=C1 AK-48988 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.17 BrC1=CC=CC(=N1)C(=O)OCC AK-25598 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.17 C1=C(C(OCC)=O)C=NC=C1Br AK-25588 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.17 C1=C(C=CC=C1C(OCC)=O)I AK-73125 [0,2,0,0,0,0|0,0,1]=3 380 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 AK-84626 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 AK-29726 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.17 ClC1=NC=CC(=C1)C(=O)OCC AK-29371 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.17 O=C(OCC)C1=CC=CC(Cl)=C1 AK-51253 [0,2,0,0,0,0|0,0,1]=3 384 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 AK103327 [0,2,0,0,0,0|0,0,1]=3 385 B12R1.17 O=C(OCC)C1=CC=CC(O)=C1 AK-76827 [0,2,0,0,0,0|0,0,1]=3 386 B12R1.17 O=C(OCC)C1=CC=NC(N)=C1 AK-33137 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.17 O=C(OCC)C1=CN=CC(C)=C1 AK-39650 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.17 O=C(OCC)C1=CN=CC(O)=C1 AK-38038 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.17 O=C(OCC)C1=NC(Cl)=CC=C1 AK-76189 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.17 O=C(OCC)C1=NC(N)=CC=C1 AK-41615 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.17 O=C(OCC)C1=NC=CC(Br)=C1 AK-28555 [0,2,0,0,0,0|1,0,1]=4 392 B12R1.17 O=C(OCC)C1=NC=CC(Cl)=C1 AK121835 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.17 O=C(OCC)C1=NC=CC(N)=C1 AK133247 [0,2,0,0,0,0|1,0,1]=4 394 B12R1.17 OCCC(N)C1=CC=CC(Cl)=C1 AK-44745 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [0,2,0,0,0,0|1,0,1]=4 396 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [0,2,0,0,0,0|0,0,1]=3 397 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.39 O=S(C1=CC=CC=C1)(OCC)=O AK129066 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,2,0,0,0,0|0,0,1]=3 408 B12R1.308 C(C)OC(C1=CN=CC=C1Cl)=O AK-29976 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.308 C1=CC=CC(=C1C(OCC)=O)F AK-46540 [0,2,0,0,0,0|0,0,1]=3 410 B12R1.308 C1=CC=NC(=C1C(OCC)=O)Cl AK-39200 [0,2,0,0,0,0|1,0,1]=4 411 B12R1.308 CCC[C@H](C1=CC=CC=C1C)N AK683690 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.308 CCOC(=O)C1=CC=CN=C1Br AK-35509 [0,2,0,0,0,0|1,0,1]=4 413 B12R1.308 CCOC(=O)C1=CC=CN=C1C AK-25491 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 AK-23890 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.308 NC1=C(C=CN=C1)C(=O)OCC AK-21982 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.308 O=C(OCC)C1=CC=CC=C1Cl AK117233 [0,2,0,0,0,0|0,0,1]=3 417 B12R1.308 O=C(OCC)C1=CC=CC=C1I AK-94262 [0,2,0,0,0,0|0,0,1]=3 418 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [0,2,0,0,0,0|0,0,1]=3 419 B12R1.308 O=C(OCC)C1=CC=NC=C1Cl AK167712 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.308 O=C(OCC)C1=NC=CC=C1Br AK128513 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.308 O=C(OCC)C1=NC=CC=C1N AK-76176 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.308 O=C(OCC)C1=NC=CC=C1O AK126269 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.121 OCCCC1=CC=CC=C1OC AK129494 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.28 COCCOC1=CC=CC(N)=C1 AK105501 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.28 NC1=CC(OCCCC)=NC=C1 AK127971 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 AK158851 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.50 OC[C@@H](N)CC1=CC=CC(Cl)=C1 AK191230 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.382 CCNCC1=CC=CC(OC)=C1 AK-97801 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.382 COC1=CC(CCNC)=CC=C1 AK-94115 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.8 BrCCCCOC1=CC=CC=C1 AK145640 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.8 BrCCCOCC1=CC=CC=C1 AK-47534 [0,2,0,0,0,0|0,0,0]=2 443 B12R1.8 CCCCCCC1=CC=NC=C1 AK123346 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.8 NCCCNCC1=CC=CC=C1 AK-58979 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.8 NCCCOCC1=CC=CC=C1 AK-33608 [0,2,0,0,0,0|0,0,0]=2 446 B12R1.8 OCCCOCC1=CC=CC=C1 AK-99881 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,2,0,0,0,0|0,0,1]=3 453 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,2,0,0,0,0|0,0,1]=3 454 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,2,0,0,0,0|0,0,1]=3 455 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,2,0,0,0,0|0,0,1]=3 456 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.32 C(C)OC(CC1=NC=CC=N1)=O AK-24266 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,2,0,0,0,0|0,0,0]=2 460 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [0,2,0,0,0,0|0,0,1]=3 464 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [0,2,0,0,0,0|0,0,1]=3 467 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,2,0,0,0,0|1,0,1]=4 470 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.891 CC(O)(C)C#CC1=CC=CC=C1 AK-63782 [0,2,0,0,0,0|1,0,1]=4 473 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [1,0,0,1,0,0|1,0,0]=3 474 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [1,0,0,1,0,0|1,0,0]=3 475 B10R2.7 C12=CC=CC=C1OCO2 AK-48090 [1,0,0,1,0,0|1,0,0]=3 476 B10R2.7 C12=NC=CC=C1CCN2 AK-23969 [1,0,0,1,0,0|2,0,0]=4 477 B10R2.7 C12=NC=CC=C1CNC2 AK-27514 [1,0,0,1,0,0|2,0,0]=4 478 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [1,0,0,1,0,0|0,0,0]=2 479 B10R2.7 C1=CC=CC2=C1N=CO2 AK-47416 [1,0,0,1,0,0|1,0,1]=4 480 B10R2.7 C1NCC2=C1C=CN=C2 AK-49968 [1,0,0,1,0,0|2,0,0]=4 481 B10R2.7 C=12CNCC1C=CN=C2 AK-27368 [1,0,0,1,0,0|2,0,0]=4 482 B10R2.7 C=12NCCC1C=CN=C2 AK-76917 [1,0,0,1,0,0|2,0,0]=4 483 B10R2.7 C=12NCCC1C=CN=C2 AK138671 [1,0,0,1,0,0|2,0,0]=4 484 B10R2.7 O1N=C2C=CC=CC2=N1 AK-34472 [1,0,0,1,0,0|2,0,0]=4 485 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,1,0,0|1,0,0]=3 486 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|1,0,1]=4 487 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 AK-74154 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 AK172637 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 AK-30489 [0,1,0,1,0,0|1,0,0]=3 490 B12R2.24 BrC1=CC2=C(CCCC2)C=C1 AK105097 [0,1,0,1,0,0|1,0,0]=3 491 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 AK-30488 [0,1,0,1,0,0|1,0,0]=3 492 B12R2.24 BrC1=CC2=C(NCCC2)C=C1 AK-24972 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.24 BrC1=CC=C2CCOCC2=C1 AK-87302 [0,1,0,1,0,0|0,0,0]=2 494 B12R2.24 BrC1=CC=C2CNCCC2=C1 AK-25184 [0,1,0,1,0,0|1,0,0]=3 495 B12R2.24 C1=C(C=C2C(=C1)CCCN2)O AK-26152 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.24 C1=C(O)C=C2C(=C1)CCCC2 AK-47633 [0,1,0,1,0,0|1,0,0]=3 497 B12R2.24 C1=C(O)C=CC2=C1CCCN2 AK-25789 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.24 C1C2=CC=C(C=C2CCN1)O AK-33289 [0,1,0,1,0,0|1,0,0]=3 500 B12R2.24 CC1=CC2=C(C=C1)CCCN2 AK-44791 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.24 CC1=CC2=C(CCCC2)C=C1 AK-61038 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.24 CC1=CC=C2C(=C1)CNCC2 AK-27238 [0,1,0,1,0,0|1,0,0]=3 503 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AK146007 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 AK545138 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 AK-36483 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.24 ClC1=CC2=C(CCCN2)C=C1 AK-64273 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.24 ClC1=CC2=C(CNCC2)C=C1 AK-28677 [0,1,0,1,0,0|1,0,0]=3 510 B12R2.24 ClC1=CC=C2NCCCC2=C1 AK-43157 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.24 ClC1=NC2=C(CCCC2)C=C1 AK100813 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 AK-27507 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 AK-28329 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.24 FC1=CC2=C(NCCC2)C=C1 AK115880 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.24 NC1=CC2=C(C=C1)CCNC2 AK-68791 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.24 NC1=CN=C2CCNCC2=C1 AK-50466 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AK-78514 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.24 NC1CNC2=CC=CC=C2C1 AK-68575 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [0,1,0,1,0,0|1,0,0]=3 521 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [0,1,0,1,0,0|1,0,0]=3 522 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,1,0,1,0,0|0,0,1]=3 523 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.24 OC1=CC2=C(CNCC2)C=C1 AK-44277 [0,1,0,1,0,0|1,0,0]=3 525 B12R2.24 OC1=CC2=C(N=C1)CCNC2 AK-27500 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.24 OC1=CC=2CCCOC2C=C1 AK-66832 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,1,0,1,0,0|1,0,0]=3 528 B12R2.132 C1=CC2=C(C(OC2)=O)C=C1Br AK-33925 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 AK150287 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.132 FC1=CC=C2COC(=O)C2=C1 AK-80844 [0,1,0,1,0,0|1,0,1]=4 531 B12R2.132 IC1=CC=C2COC(=O)C2=C1 AK-35552 [0,1,0,1,0,0|1,0,1]=4 532 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 AK-36062 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.132 NC1CCC2=C1C=C(F)C=C2 AK164000 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 AK-42229 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 AK-42484 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.132 O=C1OCC2=C1C=C(C)C=C2 AK316681 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 AK146224 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.2 C1(C2=CC=CN=C2)=NCCO1 AK158900 [0,1,0,1,0,0|1,0,1]=4 539 B12R2.2 C1(N2CCCC2)=CC=NC=C1 AK-41574 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.2 C1([C@@H]2NCCC2)=CC=CN=C1 AK544513 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.2 C1([C@@H]2NCCC2)=NC=CC=C1 AK153990 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.2 C1([C@H]2NCCC2)=CC=CN=C1 AK-75905 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.2 C1=C(C2CCCN2)C=NC=C1 AK-30521 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [0,1,0,1,0,0|1,0,0]=3 545 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [0,1,0,1,0,0|1,0,0]=3 546 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [0,1,0,1,0,0|1,0,0]=3 547 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,1,0,1,0,0|1,0,0]=3 549 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,1,0,1,0,0|1,0,0]=3 550 B12R2.116 OC1(C2=CC=CC=C2)CNC1 AK136597 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.116 OC1(C2=CC=CC=C2)COC1 AK140940 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.1081 BrC1=C2CNCCC2=CC=C1 AK-24976 [0,1,0,1,0,0|1,0,0]=3 553 B12R2.1081 BrC1=CC=CC2=C1CCCN2 AK-32886 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.1081 BrC1=CC=CC2=C1CCCN2 AK-75613 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.1081 BrC1=CC=CC2=C1CCCO2 AK174586 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.1081 BrC1=CC=CC2=C1CCNC2 AK-30487 [0,1,0,1,0,0|1,0,0]=3 557 B12R2.1081 BrC1=CC=CC2=C1CCNC2 AK-31737 [0,1,0,1,0,0|1,0,0]=3 558 B12R2.1081 BrC1=CC=CC2=C1CNCC2 AK-74291 [0,1,0,1,0,0|1,0,0]=3 559 B12R2.1081 BrC1=CC=CC2=C1OCCC2 AK172683 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.1081 C1=CC=C(O)C2=C1CCCN2 AK-26240 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [0,1,0,1,0,0|1,0,1]=4 562 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [0,1,0,1,0,0|1,0,0]=3 563 B12R2.1081 CC1=C2C(=CC=C1)NCCC2 AK-39845 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [0,1,0,1,0,0|1,0,0]=3 565 B12R2.1081 CC1CCNC2=C1C=CC=C2 AK139156 [0,1,0,1,0,0|1,0,0]=3 566 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.1081 CN1CCNC2=C1C=CC=C2 AK-39613 [0,1,0,1,0,0|2,0,0]=4 568 B12R2.1081 ClC1=C2C(=CC=C1)NCCC2 AK-39782 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.1081 ClC1=CC=CC2=C1CNCC2 AK-74292 [0,1,0,1,0,0|1,0,0]=3 570 B12R2.1081 ClC1=CC=CC2=C1NCCC2 AK151548 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.1081 FC1=CC=CC2=C1CCNC2 AK-30479 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.1081 NC1=CC=CC2=C1CCNC2 AK101759 [0,1,0,1,0,0|1,0,0]=3 574 B12R2.1081 NC1=CC=CC2=C1CNCC2 AK101863 [0,1,0,1,0,0|1,0,0]=3 575 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [0,1,0,1,0,0|1,0,0]=3 577 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [0,1,0,1,0,0|1,0,0]=3 578 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.1081 NC1CCNC2=C1C=CC=C2 AK128627 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-32488 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-43439 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AK-54431 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,1,0,1,0,0|1,0,1]=4 586 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [0,1,0,1,0,0|0,0,1]=3 587 B12R2.1081 OC1=CC=CC2=C1CNCC2 AK101812 [0,1,0,1,0,0|1,0,0]=3 588 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [0,1,0,1,0,0|1,0,0]=3 589 B12R2.1081 OC1CCNC2=C1C=CC=C2 AK-87029 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [0,1,0,1,0,0|0,0,0]=2 591 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [0,1,0,1,0,0|1,0,0]=3 592 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [0,1,0,1,0,0|1,0,1]=4 594 B12R2.32 CCC1=NC2=CC=CC=C2N1 AK-31912 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.32 CCC1=NC2=CC=CC=C2O1 AK551044 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.196 BrC1=CC=CC2=C1COC2=O AK-30225 [0,1,0,1,0,0|1,0,1]=4 599 B12R2.196 NC1CCC2=C(F)C=CC=C12 AK-80219 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.196 NC1CCC2=C1C=CC=C2Br AK174612 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.196 NC1CCC2=C1C=CC=C2Cl AK164257 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.196 N[C@@H]1CCC2=C1C=CC=C2Br AK-42512 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Br AK-42513 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F AK-42269 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.196 O=C1OCC2=C1C=CC=C2N AK-41573 [0,1,0,1,0,0|1,0,1]=4 606 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 AK608488 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.203 N[C@H]1CCC2=C1C(F)=CC=C2 AK608001 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.612 CC1=CC=C2C(N)CCC2=C1 AK-60573 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 AK-31447 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 AK175313 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK-76304 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK544242 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 AK-42485 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 AK-51085 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK-76305 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK544243 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AK-35968 [0,1,0,1,0,0|1,0,1]=4 618 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 AK161984 [0,1,0,1,0,0|1,0,1]=4 619 B12R2.612 OB1OCC2=CC(F)=CC=C12 AK163946 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 AK109538 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.1 N#CC1CCC2=C1C=CC=C2 AK-68472 [0,1,0,1,0,0|1,0,1]=4 622 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 AK-27059 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.18 O[C@H]1[C@@H](N)C2=C(C=CC=C2)C1 AK-25342 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 AK139225 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [1,0,0,0,1,0|2,0,0]=4 627 B8R1.8 CCCC1=NC=CS1 AK-60893 [1,0,0,0,1,0|2,0,0]=4 628 B8R1.8 CCCN1C=CN=C1 AK111106 [1,0,0,0,1,0|2,0,0]=4 629 B8R1.8 CCOC1=NC=CS1 AK-79313 [1,0,0,0,1,0|2,0,0]=4 630 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,0,0,0,1,0|2,0,0]=4 631 B8R1.8 CNCC1=CSC=C1 AK-49561 [1,0,0,0,1,0|2,0,0]=4 632 B8R1.8 COCN1C=CN=C1 AK116280 [1,0,0,0,1,0|2,0,0]=4 633 B8R1.8 NCCC1=CC=CS1 AK-44822 [1,0,0,0,1,0|2,0,0]=4 634 B8R1.8 NCCC1=CSC=C1 AK-28310 [1,0,0,0,1,0|2,0,0]=4 635 B8R1.8 NCCC1=CSC=C1 AK-49962 [1,0,0,0,1,0|2,0,0]=4 636 B8R1.8 NCCN1C=CC=C1 AK-34573 [1,0,0,0,1,0|2,0,0]=4 637 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,0,0,0,1,0|2,0,0]=4 638 B8R1.8 OCCC1=CSC=C1 AK-68259 [1,0,0,0,1,0|2,0,0]=4