0 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [0,0,0,0,0,0|2,0,1]=3 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|3,0,0]=3 7 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [0,0,0,0,0,0|3,0,0]=3 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|2,0,0]=2 11 B10R1.17 N#CC#CC1=CC=CC=C1 AK-88636 [0,0,0,0,0,0|1,0,3]=4 12 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 N#C\C=C\C1=CC=CC=C1 AK208737 [0,0,0,0,0,0|1,0,3]=4 14 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.17 NCCNC1=NC=CC=N1 AK-58765 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [0,0,0,0,0,0|0,0,2]=2 21 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [0,0,0,0,0,0|0,0,4]=4 24 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [0,0,0,0,0,0|0,0,2]=2 25 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [0,0,0,0,0,0|0,0,0]=0 26 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 C1=CC=NN=C1OCC AK-50551 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 CCCC1=NC=CN=C1 AK305719 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CCNC1=CC=CN=C1 AK126739 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CCNC1=NC=CN=C1 AK159718 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.1 CC1=CC=C(OCCO)C=C1 AK187911 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.1 FC1=CC=C(OCCBr)C=C1 AK135025 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.1 FC1=CC=C(OCCN)C=C1 AK136704 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.1 NCCNC1=NC=C(Br)C=C1 AK-78313 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [0,1,0,0,0,0|0,0,0]=1 71 B11R1.1 OCCCC1=CC=C(Br)N=C1 AK-80543 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [0,1,0,0,0,0|0,0,0]=1 73 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.17 C1(=C(C=CC=C1)OCC#N)C AK-47402 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.17 N#CCCC1=CC=CC=C1Cl AK115012 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.17 OC1=CC=CC=C1OCC=C AK544045 [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|0,0,0]=1 92 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.24 COCOC1=CC(F)=CC=C1 AK101350 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.24 ClC1=CC=CC(NCCO)=N1 AK-66021 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.28 N#CCNCC1=CC=CC=C1 AK102724 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.28 NCCSSC1=NC=CC=C1 AK117721 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [0,1,0,0,0,0|0,0,2]=3 108 B11R1.28 OCCC#CC1=CC=NC=C1 AK146717 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.28 OCCC#CC1=NC=CC=C1 AK146719 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,1,0,0,0,0|0,0,2]=3 126 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,1,0,0,0,0|0,0,2]=3 127 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [0,1,0,0,0,0|0,0,3]=4 128 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,1,0,0,0,0|0,0,1]=2 129 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,1,0,0,0,0|0,0,3]=4 132 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,1,0,0,0,0|2,0,1]=4 136 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,0,0,1,0,0|0,0,2]=3 137 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [0,0,0,1,0,0|1,0,2]=4 138 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,0,0,1,0,0|1,0,2]=4 139 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [0,0,0,1,0,0|2,0,1]=4 141 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [0,0,0,1,0,0|1,0,0]=2 142 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [0,0,0,1,0,0|1,0,0]=2 143 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [0,0,0,1,0,0|2,0,0]=3 144 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [0,0,0,1,0,0|1,0,0]=2 145 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [0,0,0,1,0,0|1,0,0]=2 146 B11R2.1 N[C@H]1COC2=CC=CC=C12 AK172653 [0,0,0,1,0,0|2,0,0]=3 147 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [0,0,0,1,0,0|1,0,2]=4 148 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,0,0,1,0,0|1,0,2]=4 149 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,0,0,1,0,0|1,0,2]=4 150 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,0,0,1,0,0|1,0,2]=4 151 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [0,0,0,1,0,0|2,0,1]=4 152 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [0,0,0,1,0,0|0,0,0]=1 153 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [0,0,0,1,0,0|1,0,0]=2 154 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,1,0,0|1,0,0]=2 155 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [0,0,0,1,0,0|2,0,0]=3 156 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [0,0,0,1,0,0|3,0,0]=4 157 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [0,0,0,1,0,0|3,0,0]=4 158 B11R2.20 C12=C(NCCC1)C=CC=C2 AK-26990 [0,0,0,1,0,0|1,0,0]=2 159 B11R2.20 C12=CC=CC=C1NCCO2 AK-45913 [0,0,0,1,0,0|1,0,0]=2 160 B11R2.20 C12=CC=CC=C1NCCS2 AK116388 [0,0,0,1,0,0|1,1,0]=3 161 B11R2.20 C12=CC=NC=C1CNCC2 AK-76649 [0,0,0,1,0,0|3,0,0]=4 162 B11R2.20 C12=NC=CC=C1OCCO2 AK-31936 [0,0,0,1,0,0|2,0,0]=3 163 B11R2.20 C1=C2NCCNC2=CC=C1 AK-34780 [0,0,0,1,0,0|2,0,0]=3 164 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [0,0,0,1,0,0|2,0,0]=3 165 B11R2.20 C1=NC2=C(N=C1)CCCC2 AK-34766 [0,0,0,1,0,0|3,0,0]=4 166 B11R2.20 C1CC2=C(C=CC=C2)C=N1 AK-25112 [0,0,0,1,0,0|2,0,0]=3 167 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [0,0,0,1,0,0|2,0,0]=3 168 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [0,0,0,1,0,0|2,0,0]=3 169 B11R2.20 N1CCNC2=C1C=CC=N2 AK-24566 [0,0,0,1,0,0|3,0,0]=4 170 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [0,0,0,1,0,0|2,0,0]=3 171 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [0,0,0,1,0,0|0,0,0]=1 173 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,0,0,0,1,0|2,0,0]=3 174 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,0,0,0,1,0|3,0,0]=4 175 B9R1.12 N#CCCN1C=CC=C1 AK111457 [0,0,0,0,1,0|2,0,1]=4 176 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,1,0,0,0|1,0,0]=3 177 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|1,0,0]=3 183 B8R1.2 CNC1=CC=CN=C1 AK-72893 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 COC1=CC=CN=C1 AK-76565 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,0]=3 186 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 187 B8R1.2 NCC1=CC=NC=C1 AK-25866 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 NCC1=CC=NC=C1 AK-50006 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|1,0,0]=3 192 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.2 OCC1=CN=CN=C1 AK-32022 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.2 OCC1=NC=CC=N1 AK-25156 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 OCC1=NC=NC=C1 AK-31889 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|1,0,0]=3 199 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|0,0,2]=4 200 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|0,0,0]=2 201 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|0,0,0]=2 208 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|0,0,0]=2 209 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|0,0,0]=2 212 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|0,0,0]=2 219 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|0,0,0]=2 222 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|0,0,0]=2 227 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|0,0,0]=2 236 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.4 C1=C(C(=CC=C1)CC#N)Br AK-45669 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.4 CC1=CC=CC=C1CCO AK117334 [1,1,0,0,0,0|0,0,0]=2 242 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.4 CCOC1=C(N)C=CN=C1 AK100670 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.4 CCOC1=NC=CC=C1Br AK-45982 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.4 N#CCC1=CC=CC=C1F AK-48152 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.4 N#CCC1=CC=CC=C1N AK-88479 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.4 NC1=C(OCC)C=CN=C1 AK-59659 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.4 OC1=CC=CC=C1CCN AK114741 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.4 OCCC1=CC=CC=C1I AK149280 [1,1,0,0,0,0|0,0,0]=2 262 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [1,1,0,0,0,0|0,0,0]=2 263 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [1,1,0,0,0,0|0,0,0]=2 264 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [1,1,0,0,0,0|0,0,0]=2 266 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [1,1,0,0,0,0|0,0,0]=2 270 B10R1.10 CCOC1=CC(Br)=NC=C1 AK146932 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.10 CCOC1=CC(Cl)=NC=C1 AK114104 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.10 CCOC1=CC=CC(Br)=C1 AK-44617 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.10 CCOC1=CN=CC(N)=C1 AK100109 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.10 CCOC1=NC=CC(Br)=C1 AK129551 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.10 CNCC1=CC(=CN=C1)Br AK-50635 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.10 FC1=NC=CC(OCC)=C1 AK-64190 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.10 N#CCC1=CC=CC(F)=C1 AK-27132 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.10 N#CCC1=CC=CC(N)=C1 AK-76735 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.10 NC1=CC(=NC=C1)NCC AK-47602 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.10 NNCC1=CC=CC(Cl)=C1 AK163398 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,1,0,0,0,0|0,0,2]=4 297 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,1,0,0,0,0|0,0,1]=3 308 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,1,0,0,0,0|0,0,2]=4 320 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,1,0,0,0,0|0,0,2]=4 323 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,1,0,0,1,0|2,0,0]=4 327 B10R1.27 OCC(O)CN1C=CN=C1 AK174603 [0,1,0,0,1,0|2,0,0]=4 328 B10R1.27 OCC(O)CN1N=CC=C1 AK174610 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.29 CCCCC1=C(Br)SC=C1 AK-88319 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,1,0,0,1,0|1,0,1]=4 331 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [0,2,0,0,0,0|1,0,0]=3 332 B12R1.1 COCCOC1=CC=C(Br)C=C1 AK312402 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.1 COCCOC1=CC=C(N)C=C1 AK105500 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 AK173292 [0,2,0,0,0,0|1,0,1]=4 335 B12R1.1 NC1=CC=C(OCCCC)C=C1 AK-51310 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.1 OC1=CC=C(OCCCC)C=C1 AK114215 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.16 C=CC[C@H](C1=CC=C(F)C=C1)N AK172736 [0,2,0,0,0,0|1,0,1]=4 339 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.16 ClCCC(=O)C1=CC=C(Br)C=C1 AK-48143 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.16 NC(CCO)C1=CC=C(C=C1)Cl AK-50547 [0,2,0,0,0,0|0,0,0]=2 343 B12R1.16 NC(CCO)C1=CC=C(C=C1)F AK-39303 [0,2,0,0,0,0|0,0,0]=2 344 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.16 OCC[C@H](N)C1=CC=C(N)C=C1 AK310897 [0,2,0,0,0,0|0,0,0]=2 346 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,2,0,0,0,0|0,0,1]=3 347 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,2,0,0,0,0|0,0,2]=4 348 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,2,0,0,0,0|0,0,1]=3 350 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,2,0,0,0,0|0,0,1]=3 351 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,2,0,0,0,0|0,0,1]=3 352 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,2,0,0,0,0|0,0,0]=2 356 B12R1.69 NC1=CC=C(OCCO)C(N)=C1 AK-94220 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.69 NC1=CC=C(OCCO)C(N)=C1 AK128852 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.69 OC1=CC=C(CCCC)C(O)=C1 AK-81459 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.71 C(CCC)C1=CC=C(C=C1)C#C AK-47214 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.71 CCCOC1=CC=C(C#C)C=C1 AK-88362 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.71 CCCOC1=CC=C(C=O)C=C1 AK110805 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.71 CCNCC1=CC=C(OC)C=C1 AK-44604 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.71 N#CC1=CC=C(CCCO)C=C1 AK-48988 [0,2,0,0,0,0|0,0,0]=2 364 B12R1.71 O=CC1=CC=C(OCCO)C=C1 AK135531 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.385 OC1=CC(NCCO)=CC=C1C AK-88725 [0,2,0,0,0,0|1,0,0]=3 366 B12R1.3 CCN(CCO)C1=CC=CC=C1 AK-86826 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.17 OCCC(N)C1=CC=CC(Cl)=C1 AK-44745 [0,2,0,0,0,0|0,0,0]=2 368 B12R1.30 C1=CC=NC=C1C(NCCO)=O AK-39366 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.30 N#CCCN(C)C1=CC=CC=C1 AK113496 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [0,2,0,0,0,0|0,0,0]=2 374 B12R1.39 CC(C1=CC=CC=C1)(C)CC=O AK141497 [0,2,0,0,0,0|0,0,2]=4 375 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,2,0,0,0,0|0,0,1]=3 376 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,2,0,0,0,0|1,0,1]=4 377 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,2,0,0,0,0|0,0,1]=3 378 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,2,0,0,0,0|0,0,1]=3 380 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,2,0,0,0,0|0,0,1]=3 381 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,2,0,0,0,0|0,0,1]=3 382 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,2,0,0,0,0|0,0,1]=3 383 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [0,2,0,0,0,0|1,0,1]=4 384 B12R1.308 CCC[C@H](C1=CC=CC=C1C)N AK683690 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.121 COC1=C(OCCBr)C=CC=C1 AK-89644 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.121 COC1=C(OCCN)C=CC=C1 AK-50535 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.121 OCCCC1=CC=CC=C1OC AK129494 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [0,2,0,0,0,0|0,0,1]=3 389 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [0,2,0,0,0,0|0,0,1]=3 390 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [0,2,0,0,0,0|0,0,1]=3 391 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [0,2,0,0,0,0|1,0,1]=4 392 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [0,2,0,0,0,0|0,0,0]=2 393 B12R1.28 COCCOC1=CC=CC(N)=C1 AK105501 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.28 NC1=CC(OCCCC)=NC=C1 AK127971 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 AK158851 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.50 OC[C@@H](N)CC1=CC=CC(Cl)=C1 AK191230 [0,2,0,0,0,0|0,0,0]=2 397 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [0,2,0,0,0,0|0,0,1]=3 398 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [0,2,0,0,0,0|0,0,1]=3 399 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [0,2,0,0,0,0|0,0,1]=3 400 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [0,2,0,0,0,0|0,0,1]=3 401 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [0,2,0,0,0,0|0,0,1]=3 402 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.382 CCNCC1=CC=CC(OC)=C1 AK-97801 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.382 COC1=CC(CCNC)=CC=C1 AK-94115 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.8 BrCCCCOC1=CC=CC=C1 AK145640 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.8 BrCCCOCC1=CC=CC=C1 AK-47534 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.8 CCCCCCC1=CC=NC=C1 AK123346 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.8 NCCCNCC1=CC=CC=C1 AK-58979 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.8 NCCCOCC1=CC=CC=C1 AK-33608 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.8 OCCCOCC1=CC=CC=C1 AK-99881 [0,2,0,0,0,0|0,0,0]=2 411 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,2,0,0,0,0|0,0,1]=3 412 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,2,0,0,0,0|0,0,0]=2 413 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,2,0,0,0,0|0,0,1]=3 419 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [0,2,0,0,0,0|0,0,2]=4 424 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,2,0,0,0,0|0,0,0]=2 425 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [0,2,0,0,0,0|0,0,1]=3 427 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [0,2,0,0,0,0|0,0,1]=3 428 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,2,0,0,0,0|0,0,1]=3 429 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [0,2,0,0,0,0|0,0,1]=3 430 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [0,2,0,0,0,0|0,0,1]=3 431 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,2,0,0,0,0|0,0,1]=3 432 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,2,0,0,0,0|0,0,1]=3 433 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,2,0,0,0,0|0,0,2]=4 434 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,2,0,0,0,0|0,0,2]=4 435 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,2,0,0,0,0|0,0,1]=3 437 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,2,0,0,0,0|0,0,2]=4 440 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,2,0,0,0,0|0,0,1]=3 445 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,2,0,0,0,0|0,0,1]=3 446 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,2,0,0,0,0|0,0,1]=3 448 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,2,0,0,0,0|0,0,2]=4 449 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [0,2,0,0,0,0|0,0,0]=2 450 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [0,2,0,0,0,0|0,0,0]=2 451 B12R1.891 C1(=CC=CC=C1)CC[S](=O)(=O)Cl AK-73134 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.891 CC(O)(C)C#CC1=CC=CC=C1 AK-63782 [0,2,0,0,0,0|0,0,2]=4 453 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [1,0,0,1,0,0|1,0,0]=3 454 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [1,0,0,1,0,0|1,0,0]=3 455 B10R2.7 C12=CC=CC=C1OCO2 AK-48090 [1,0,0,1,0,0|1,0,0]=3 456 B10R2.7 C12=NC=CC=C1CCN2 AK-23969 [1,0,0,1,0,0|2,0,0]=4 457 B10R2.7 C12=NC=CC=C1CNC2 AK-27514 [1,0,0,1,0,0|2,0,0]=4 458 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [1,0,0,1,0,0|0,0,0]=2 459 B10R2.7 C1=CC=CC2=C1N=CO2 AK-47416 [1,0,0,1,0,0|1,0,1]=4 460 B10R2.7 C1NCC2=C1C=CN=C2 AK-49968 [1,0,0,1,0,0|2,0,0]=4 461 B10R2.7 C=12CNCC1C=CN=C2 AK-27368 [1,0,0,1,0,0|2,0,0]=4 462 B10R2.7 C=12NCCC1C=CN=C2 AK-76917 [1,0,0,1,0,0|2,0,0]=4 463 B10R2.7 C=12NCCC1C=CN=C2 AK138671 [1,0,0,1,0,0|2,0,0]=4 464 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,1,0,0|1,0,0]=3 465 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|0,0,2]=4 466 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 AK-74154 [0,1,0,1,0,0|1,0,0]=3 467 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 AK172637 [0,1,0,1,0,0|0,0,0]=2 468 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 AK-30489 [0,1,0,1,0,0|2,0,0]=4 469 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 AK-31794 [0,1,0,1,0,0|1,0,0]=3 470 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 AK-57130 [0,1,0,1,0,0|1,0,0]=3 471 B12R2.24 BrC1=CC2=C(CCCC2)C=C1 AK105097 [0,1,0,1,0,0|1,0,0]=3 472 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 AK-30488 [0,1,0,1,0,0|2,0,0]=4 473 B12R2.24 BrC1=CC2=C(NCCC2)C=C1 AK-24972 [0,1,0,1,0,0|1,0,0]=3 474 B12R2.24 BrC1=CC=C2CCOCC2=C1 AK-87302 [0,1,0,1,0,0|2,0,0]=4 475 B12R2.24 BrC1=CC=C2CNCCC2=C1 AK-25184 [0,1,0,1,0,0|2,0,0]=4 476 B12R2.24 BrC1=CC=C2OCCNC2=C1 AK-28714 [0,1,0,1,0,0|1,0,0]=3 477 B12R2.24 BrC1=CC=C2OCCNC2=N1 AK-41761 [0,1,0,1,0,0|2,0,0]=4 478 B12R2.24 BrC1=CN=C2C(OCCN2)=C1 AK-82737 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.24 BrC1=CN=C2OCCOC2=C1 AK158138 [0,1,0,1,0,0|2,0,0]=4 480 B12R2.24 C1=C(C=C2C(=C1)CCCN2)O AK-26152 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.24 C1=C(O)C=C2C(=C1)CCCC2 AK-47633 [0,1,0,1,0,0|1,0,0]=3 482 B12R2.24 C1=C(O)C=CC2=C1CCCN2 AK-25789 [0,1,0,1,0,0|1,0,0]=3 483 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,1,0,1,0,0|0,0,2]=4 484 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,1,0,1,0,0|1,0,1]=4 485 B12R2.24 C1C2=CC=C(C=C2CCN1)O AK-33289 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.24 CC1=CC2=C(C=C1)CCCN2 AK-44791 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.24 CC1=CC2=C(CCCC2)C=C1 AK-61038 [0,1,0,1,0,0|1,0,0]=3 488 B12R2.24 CC1=CC=C2C(=C1)CNCC2 AK-27238 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,1,0,1,0,0|1,0,0]=3 491 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AK146007 [0,1,0,1,0,0|1,0,0]=3 492 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 AK545138 [0,1,0,1,0,0|1,0,0]=3 493 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 AK-36483 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 AK-47683 [0,1,0,1,0,0|1,0,0]=3 495 B12R2.24 ClC1=CC2=C(CCCN2)C=C1 AK-64273 [0,1,0,1,0,0|1,0,0]=3 496 B12R2.24 ClC1=CC2=C(CNCC2)C=C1 AK-28677 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.24 ClC1=CC=C2NCCCC2=C1 AK-43157 [0,1,0,1,0,0|1,0,0]=3 498 B12R2.24 ClC1=NC2=C(CCCC2)C=C1 AK100813 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.24 FC1=CC2=C(C=C1)OCCN2 AK-26963 [0,1,0,1,0,0|1,0,0]=3 500 B12R2.24 FC1=CC2=C(NCCC2)C=C1 AK115880 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.24 FC1=CC=C2OCCNC2=C1 AK-75887 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.24 IC1=CC=C2OCCNC2=N1 AK-87497 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.24 NC1=CC2=C(C=C1)CCNC2 AK-68791 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AK-78514 [0,1,0,1,0,0|1,0,0]=3 506 B12R2.24 NC1CNC2=CC=CC=C2C1 AK-68575 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [0,1,0,1,0,0|1,0,0]=3 509 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,1,0,1,0,0|0,0,1]=3 510 B12R2.24 OC1=CC2=C(CNCC2)C=C1 AK-44277 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.24 OC1=CC=2CCCOC2C=C1 AK-66832 [0,1,0,1,0,0|0,0,0]=2 512 B12R2.24 OC1=CC=C2OCCNC2=C1 AK-94231 [0,1,0,1,0,0|1,0,0]=3 513 B12R2.24 OC1=CC=C2OCCOC2=C1 AK-37842 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,1,0,1,0,0|0,0,0]=2 515 B12R2.132 C1=CC(=CC2=C1CCC2=O)Br AK-26732 [0,1,0,1,0,0|0,0,2]=4 516 B12R2.132 ClC1=CC=C2C(=C1)C(CC2)=O AK-29868 [0,1,0,1,0,0|0,0,2]=4 517 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 AK-36062 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.132 NC1CCC2=C1C=C(F)C=C2 AK164000 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 AK-42229 [0,1,0,1,0,0|1,0,0]=3 520 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 AK-42484 [0,1,0,1,0,0|1,0,0]=3 521 B12R2.132 O=C1CCC2=C1C=C(C)C=C2 AK-34324 [0,1,0,1,0,0|0,0,2]=4 522 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 AK-28079 [0,1,0,1,0,0|0,0,2]=4 523 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AK-35907 [0,1,0,1,0,0|0,0,2]=4 524 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 AK146224 [0,1,0,1,0,0|0,0,0]=2 525 B12R2.2 C1(C2=CC=CN=C2)=NCCO1 AK158900 [0,1,0,1,0,0|1,0,1]=4 526 B12R2.2 C1(N2CCCC2)=CC=NC=C1 AK-41574 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.2 C1([C@@H]2NCCC2)=CC=CN=C1 AK544513 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.2 C1([C@@H]2NCCC2)=NC=CC=C1 AK153990 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.2 C1([C@H]2NCCC2)=CC=CN=C1 AK-75905 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.2 C1=C(C2CCCN2)C=NC=C1 AK-30521 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [0,1,0,1,0,0|1,0,0]=3 532 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [0,1,0,1,0,0|1,0,0]=3 533 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [0,1,0,1,0,0|1,0,0]=3 534 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,1,0,1,0,0|1,0,0]=3 536 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,1,0,1,0,0|0,0,0]=2 537 B12R2.116 OC1(C2=CC=CC=C2)CNC1 AK136597 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.116 OC1(C2=CC=CC=C2)COC1 AK140940 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.1081 BrC1=C2CNCCC2=CC=C1 AK-24976 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.1081 BrC1=CC=CC2=C1CCCN2 AK-32886 [0,1,0,1,0,0|1,0,0]=3 541 B12R2.1081 BrC1=CC=CC2=C1CCCN2 AK-75613 [0,1,0,1,0,0|1,0,0]=3 542 B12R2.1081 BrC1=CC=CC2=C1CCCO2 AK174586 [0,1,0,1,0,0|0,0,0]=2 543 B12R2.1081 BrC1=CC=CC2=C1CCNC2 AK-30487 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.1081 BrC1=CC=CC2=C1CCNC2 AK-31737 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.1081 BrC1=CC=CC2=C1CNCC2 AK-74291 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.1081 BrC1=CC=CC2=C1OCCC2 AK172683 [0,1,0,1,0,0|0,0,0]=2 547 B12R2.1081 C1=CC=C(O)C2=C1CCCN2 AK-26240 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.1081 C1=CC=C2OCCOC2=C1O AK-24644 [0,1,0,1,0,0|1,0,0]=3 549 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [0,1,0,1,0,0|0,0,2]=4 550 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [0,1,0,1,0,0|1,0,0]=3 551 B12R2.1081 CC1=C2C(=CC=C1)NCCC2 AK-39845 [0,1,0,1,0,0|1,0,0]=3 552 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [0,1,0,1,0,0|1,0,0]=3 553 B12R2.1081 CC1CCNC2=C1C=CC=C2 AK139156 [0,1,0,1,0,0|1,0,0]=3 554 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [0,1,0,1,0,0|1,0,0]=3 555 B12R2.1081 CN1CCNC2=C1C=CC=C2 AK-39613 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.1081 ClC1=C2C(=CC=C1)NCCC2 AK-39782 [0,1,0,1,0,0|1,0,0]=3 557 B12R2.1081 ClC1=CC=CC2=C1CNCC2 AK-74292 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.1081 ClC1=CC=CC2=C1NCCC2 AK151548 [0,1,0,1,0,0|1,0,0]=3 559 B12R2.1081 FC1=C2OCCNC2=CC=C1 AK-26964 [0,1,0,1,0,0|1,0,0]=3 560 B12R2.1081 FC1=CC=CC2=C1CCNC2 AK-30479 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [0,1,0,1,0,0|1,0,1]=4 562 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [0,1,0,1,0,0|1,0,0]=3 563 B12R2.1081 NC1=CC=CC2=C1CCNC2 AK101759 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.1081 NC1=CC=CC2=C1CNCC2 AK101863 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [0,1,0,1,0,0|1,0,0]=3 568 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.1081 NC1CCNC2=C1C=CC=C2 AK128627 [0,1,0,1,0,0|1,0,0]=3 571 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-32488 [0,1,0,1,0,0|0,0,0]=2 572 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-43439 [0,1,0,1,0,0|0,0,0]=2 573 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [0,1,0,1,0,0|1,0,0]=3 574 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AK-54431 [0,1,0,1,0,0|0,0,0]=2 575 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,1,0,1,0,0|0,0,1]=3 576 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [0,1,0,1,0,0|1,0,1]=4 577 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [0,1,0,1,0,0|1,0,1]=4 578 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [0,1,0,1,0,0|0,0,2]=4 579 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [0,1,0,1,0,0|0,0,1]=3 580 B12R2.1081 O=C1CCOC2=CC=CN=C21 AK-30399 [0,1,0,1,0,0|1,0,1]=4 581 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [0,1,0,1,0,0|0,0,2]=4 582 B12R2.1081 OC1=CC=CC2=C1CNCC2 AK101812 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [0,1,0,1,0,0|0,0,0]=2 584 B12R2.1081 OC1CCNC2=C1C=CC=C2 AK-87029 [0,1,0,1,0,0|0,0,0]=2 585 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [0,1,0,1,0,0|0,0,0]=2 586 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [0,1,0,1,0,0|1,0,0]=3 587 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,1,0,1,0,0|0,0,2]=4 588 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [0,1,0,1,0,0|1,0,1]=4 589 B12R2.32 C1=CC=CC2=C1[NH]C(=N2)CO AK-27112 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.32 O1C2=C(N=C1CO)C=CC=C2 AK-31640 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.32 OCC1=CC2=CC=CC=C2S1 AK-48826 [0,1,0,1,0,0|0,0,2]=4 593 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [0,1,0,1,0,0|0,0,0]=2 594 B12R2.32 OCC=1NC2=C(C1)C=CC=C2 AK-86119 [0,1,0,1,0,0|0,0,2]=4 595 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 AK-75612 [0,1,0,1,0,0|0,0,2]=4 596 B12R2.196 ClC1=C2C(=CC=C1)C(CC2)=O AK-28796 [0,1,0,1,0,0|0,0,2]=4 597 B12R2.196 NC1CCC2=C(F)C=CC=C12 AK-80219 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.196 NC1CCC2=C1C=CC=C2Br AK174612 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.196 NC1CCC2=C1C=CC=C2Cl AK164257 [0,1,0,1,0,0|1,0,0]=3 600 B12R2.196 NC1COC2=C(Br)C=CC=C12 AK684522 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.196 N[C@@H]1CCC2=C1C=CC=C2Br AK-42512 [0,1,0,1,0,0|1,0,0]=3 602 B12R2.196 N[C@@H]1COC2=C(Br)C=CC=C12 AK677834 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.196 N[C@@H]1COC2=C(Cl)C=CC=C12 AK677835 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Br AK-42513 [0,1,0,1,0,0|1,0,0]=3 605 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F AK-42269 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.196 O=C1CCC2=C1C=CC=C2Br AK-31085 [0,1,0,1,0,0|0,0,2]=4 607 B12R2.196 O=C1CCC2=C1C=CC=C2F AK-30423 [0,1,0,1,0,0|0,0,2]=4 608 B12R2.196 O=C1CCC2=C1C=CC=C2N AK-29325 [0,1,0,1,0,0|0,0,2]=4 609 B12R2.196 OC1=C2C(=CC=C1)C(CC2)=O AK-39828 [0,1,0,1,0,0|0,0,2]=4 610 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 AK-38478 [0,1,0,1,0,0|1,0,0]=3 611 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 AK-41002 [0,1,0,1,0,0|0,0,2]=4 612 B12R2.203 FC1=C2C(CCC2=CC=C1)=O AK-30094 [0,1,0,1,0,0|0,0,2]=4 613 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 AK608488 [0,1,0,1,0,0|1,0,0]=3 614 B12R2.203 N[C@H]1CCC2=C1C(F)=CC=C2 AK608001 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AK-28759 [0,1,0,1,0,0|0,0,2]=4 616 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 AK-29207 [0,1,0,1,0,0|0,0,2]=4 617 B12R2.203 O=C1CCC2=C1C(N)=CC=C2 AK-30069 [0,1,0,1,0,0|0,0,2]=4 618 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 AK-36137 [0,1,0,1,0,0|0,0,2]=4 619 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [0,1,0,1,0,0|0,0,2]=4 620 B12R2.612 CC1=CC=C2C(N)CCC2=C1 AK-60573 [0,1,0,1,0,0|1,0,0]=3 621 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 AK-31447 [0,1,0,1,0,0|1,0,0]=3 622 B12R2.612 NC1COC2=CC(Br)=CC=C12 AK-27555 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 AK175313 [0,1,0,1,0,0|1,0,0]=3 624 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK-76304 [0,1,0,1,0,0|1,0,0]=3 625 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK544242 [0,1,0,1,0,0|1,0,0]=3 626 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 AK-42485 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 AK-51085 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK-76305 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK544243 [0,1,0,1,0,0|1,0,0]=3 630 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [0,1,0,1,0,0|0,0,2]=4 631 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,1,0,1,0,0|0,0,2]=4 632 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [0,1,0,1,0,0|0,0,2]=4 633 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [0,1,0,1,0,0|0,0,2]=4 634 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [0,1,0,1,0,0|0,0,2]=4 635 B12R2.612 OB1OCC2=CC(F)=CC=C12 AK163946 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 AK109538 [0,1,0,1,0,0|0,0,0]=2 637 B12R2.1 N#CC1CCC2=C1C=CC=C2 AK-68472 [0,1,0,1,0,0|1,0,0]=3 638 B12R2.1 OCC1=NNC2=C1C=CC=C2 AK-44730 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 AK-27059 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.18 O[C@H]1[C@@H](N)C2=C(C=CC=C2)C1 AK-25342 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 AK139225 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [1,0,0,0,1,0|2,0,0]=4 644 B8R1.8 CCCC1=NC=CS1 AK-60893 [1,0,0,0,1,0|2,0,0]=4 645 B8R1.8 CCCN1C=CN=C1 AK111106 [1,0,0,0,1,0|2,0,0]=4 646 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,0,0,0,1,0|2,0,0]=4 647 B8R1.8 CNCC1=CSC=C1 AK-49561 [1,0,0,0,1,0|2,0,0]=4 648 B8R1.8 NCCC1=CC=CS1 AK-44822 [1,0,0,0,1,0|2,0,0]=4 649 B8R1.8 NCCC1=CSC=C1 AK-28310 [1,0,0,0,1,0|2,0,0]=4 650 B8R1.8 NCCC1=CSC=C1 AK-49962 [1,0,0,0,1,0|2,0,0]=4 651 B8R1.8 NCCN1C=CC=C1 AK-34573 [1,0,0,0,1,0|2,0,0]=4 652 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,0,0,0,1,0|1,0,0]=3 653 B8R1.8 OCCC1=CN=CN1 AK144733 [1,0,0,0,1,0|2,0,0]=4 654 B8R1.8 OCCC1=CSC=C1 AK-68259 [1,0,0,0,1,0|1,0,0]=3 655 B8R1.8 OCCN1C=CN=C1 AK-63425 [1,0,0,0,1,0|2,0,0]=4 656 B8R1.8 [NH]1C=C(C=N1)CCO AK-33792 [1,0,0,0,1,0|2,0,0]=4