0 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.28 N#CCNCC1=CC=CC=C1 AK102724 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.28 NCCSSC1=NC=CC=C1 AK117721 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.28 OCCC#CC1=NC=CC=C1 AK146719 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 NCCNC1=NC=CC=N1 AK-58765 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.1 BrC1=CN=C(N=C1)NCCOC AK-22203 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.1 COCCOC1=CC=C(Br)C=C1 AK312402 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.1 COCCOC1=CC=C(N)C=C1 AK105500 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.1 COCCOC1=CN=C(C=N1)N AK-30604 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.1 NC1=CC=C(OCCCC)C=C1 AK-51310 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.1 OC1=CC=C(OCCCC)C=C1 AK114215 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.8 BrCCCCOC1=CC=CC=C1 AK145640 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.8 BrCCCOCC1=CC=CC=C1 AK-47534 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.8 CCCCCCC1=CC=NC=C1 AK123346 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.8 NCCCNCC1=CC=CC=C1 AK-58979 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.8 NCCCOCC1=CC=CC=C1 AK-33608 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.8 OCCCOCC1=CC=CC=C1 AK-99881 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.28 COCCOC1=CC=CC(N)=C1 AK105501 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.28 NC1=CC(OCCCC)=NC=C1 AK127971 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.32 C(C)OC(CC1=NC=CC=N1)=O AK-24266 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,1,0,0,0,0|2,0,1]=4 66 B12R2.1 CCN1C=NC2=NC=CC=C21 AK445377 [0,0,0,1,0,0|2,0,1]=4 67 B12R2.1 N#CC1CCC2=C1C=CC=C2 AK-68472 [0,0,0,1,0,0|2,0,1]=4 68 B12R2.2 C1(N2CCCC2)=CC=NC=C1 AK-41574 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.2 C1([C@@H]2NCCC2)=CC=CN=C1 AK544513 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.2 C1([C@@H]2NCCC2)=NC=CC=C1 AK153990 [0,0,0,1,0,0|1,0,0]=2 71 B12R2.2 C1([C@H]2NCCC2)=CC=CN=C1 AK-75905 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.2 C1=C(C2CCCN2)C=NC=C1 AK-30521 [0,0,0,1,0,0|3,0,0]=4 73 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [0,0,0,1,0,0|2,0,0]=3 74 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [0,0,0,1,0,0|2,0,0]=3 75 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [0,0,0,1,0,0|2,0,0]=3 76 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [0,0,0,1,0,0|2,0,0]=3 77 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.41 C12=CC=CC=C1CNCCC2 AK-36214 [0,0,0,1,0,0|2,0,0]=3 79 B12R2.41 C1COC2=C(CN1)C=CC=C2 AK-90077 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.41 N1CCCCC2=C1C=CC=C2 AK-21952 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [0,0,0,1,0,0|2,0,0]=3 82 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [0,0,0,1,0,0|2,0,0]=3 83 B12R2.1081 CC1CCNC2=C1C=CC=C2 AK139156 [0,0,0,1,0,0|2,0,0]=3 84 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.1081 CN1CCNC2=C1C=CC=C2 AK-39613 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [0,0,0,1,0,0|1,0,0]=2 88 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.1081 NC1CCNC2=C1C=CC=C2 AK128627 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-32488 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-43439 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AK-54431 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [0,0,0,1,0,0|1,0,1]=3 99 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.1081 OC1CCNC2=C1C=CC=C2 AK-87029 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [0,0,0,1,0,0|2,0,0]=3 103 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,0,0,0,1,0|1,0,0]=2 104 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [2,0,0,0,0,0|1,0,0]=3 106 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [2,0,0,0,0,0|1,0,0]=3 107 B9R1.8 C1=CC=NN=C1OCC AK-50551 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.8 CCCC1=CC=NC=C1 AK109267 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.8 CCCC1=NC=CN=C1 AK305719 [2,0,0,0,0,0|1,0,0]=3 110 B9R1.8 CCNC1=NC=CN=C1 AK159718 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [2,0,0,0,0,0|2,0,0]=4 117 B11R1.1 C(CC)OC1=CC=C(N=N1)N AK-24901 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.1 CCCOC1=NN=C(Cl)C=C1 AK392105 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.1 NCCNC1=NC=C(Br)C=C1 AK-78313 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.17 OCCCC1=CC=CC=C1Br AK-48306 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.24 CCCOC1=CN=CC(C)=N1 AK113460 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.24 ClC1=CC=CC(NCCO)=N1 AK-66021 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.4 CCCCCCC1=CC=CS1 AK-88752 [0,1,0,0,1,0|1,0,0]=3 152 B11R1.4 CCCCCCC1=CNN=C1 AK139732 [0,1,0,0,1,0|2,0,0]=4 153 B11R1.4 CCCCCCC1=CSC=C1 AK-54468 [0,1,0,0,1,0|1,0,0]=3 154 B11R1.29 CNCC[C@H](O)C1=CC=CS1 AK-46639 [0,1,0,0,1,0|2,0,0]=4 155 B13R1.9 BrC1=CN=C(N=C1)NCCCOC AK-22205 [0,2,0,0,0,0|2,0,0]=4 156 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 AK-41336 [0,2,0,0,0,0|1,0,0]=3 157 B13R1.17 C1=C(C=CC(=C1)O)C(CCCC)=O AK-47484 [0,2,0,0,0,0|1,0,1]=4 158 B13R1.17 CCCCC(C1=CC=C(C)C=C1)=O AK-60992 [0,2,0,0,0,0|1,0,1]=4 159 B13R1.369 OC1=CC(C)=CC=C1CCCCC AK-57298 [0,2,0,0,0,0|1,0,0]=3 160 B13R1.371 C#CC1=CC=C(CCCCC)C=C1 AK-48503 [0,2,0,0,0,0|1,0,0]=3 161 B13R1.371 C1=CC(=CC=C1CCCCO)OC AK-26064 [0,2,0,0,0,0|2,0,0]=4 162 B13R1.371 CCCCOC1=CC=C(C=O)C=C1 AK-87643 [0,2,0,0,0,0|2,0,0]=4 163 B13R1.718 CC(CBr)COCC1=CC=CC=C1 AK103236 [0,2,0,0,0,0|2,0,0]=4 164 B13R1.11 O=C(OC)CC(N)C1=NC=CC=C1 AK409737 [0,2,0,0,0,0|1,0,1]=4 165 B13R1.16 CCCCOC1=C(F)C(F)=CC=C1 AK-58547 [0,2,0,0,0,0|2,0,0]=4 166 B13R1.20 CCOC(=O)CC1=NC(Br)=CC=C1 AK110628 [0,2,0,0,0,0|1,0,1]=4 167 B13R1.20 CCOC(=O)CC1=NC(C)=CC=C1 AK-90308 [0,2,0,0,0,0|1,0,1]=4 168 B13R1.20 O=C(OCC)CC1=NC(Cl)=CC=C1 AK-74296 [0,2,0,0,0,0|1,0,1]=4 169 B13R1.20 O=C(OCC)CC1=NC(N)=CC=C1 AK-72798 [0,2,0,0,0,0|1,0,1]=4 170 B13R1.55 OC1=CC(CCCCC)=CC(O)=C1 AK-81914 [0,2,0,0,0,0|1,0,0]=3 171 B13R1.348 CC(C)CC(CC1=CC=CC=C1)=O AK115092 [0,2,0,0,0,0|1,0,1]=4 172 B13R1.470 CCOC(=O)CC1=NC=CC=C1Br AK-82088 [0,2,0,0,0,0|1,0,1]=4 173 B13R1.3523 CC(O)(C)CNCC1=CC=CC=C1 AK173248 [0,2,0,0,0,0|2,0,0]=4 174 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [1,0,0,1,0,0|1,0,0]=3 175 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [1,0,0,1,0,0|2,0,0]=4 176 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [1,0,0,1,0,0|2,0,0]=4 177 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [1,0,0,1,0,0|2,0,0]=4 178 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [1,0,0,1,0,0|2,0,0]=4 179 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [1,0,0,1,0,0|2,0,0]=4 180 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [1,0,0,1,0,0|2,0,0]=4 181 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [1,0,0,1,0,0|2,0,0]=4 182 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [1,0,0,1,0,0|1,0,0]=3 183 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [1,0,0,1,0,0|1,0,0]=3 184 B11R2.20 C12=C(NCCC1)C=CC=C2 AK-26990 [1,0,0,1,0,0|2,0,0]=4 185 B11R2.20 C12=NC=CC=C1OCCO2 AK-31936 [1,0,0,1,0,0|2,0,0]=4 186 B11R2.20 C12=NC=NC=C1CNCC2 AK-50803 [1,0,0,1,0,0|2,0,0]=4 187 B11R2.20 C12=NC=NC=C1CNCC2 AK162953 [1,0,0,1,0,0|2,0,0]=4 188 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [1,0,0,1,0,0|0,0,0]=2 189 B11R2.20 C1=NC2=C(N=C1)CCCC2 AK-34766 [1,0,0,1,0,0|1,0,0]=3 190 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [1,0,0,1,0,0|2,0,0]=4 191 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [1,0,0,1,0,0|1,0,0]=3 192 B11R2.20 N1=CN=CC2=C1CCNC2 AK-24594 [1,0,0,1,0,0|2,0,0]=4 193 B11R2.20 N1CCNC2=C1C=CC=N2 AK-24566 [1,0,0,1,0,0|2,0,0]=4 194 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [1,0,0,1,0,0|2,0,0]=4 195 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [1,0,0,1,0,0|2,0,0]=4 196 B11R2.2 C1(C2CCCC2)=CNN=C1 AK129166 [0,0,0,1,1,0|2,0,0]=4 197 B11R2.18 C12=C(C=CS1)CCCNC2 AK167529 [0,0,0,1,1,0|2,0,0]=4 198 B13R2.12 BrC1=CC=C(C2CNCC2)C=C1 AK124348 [0,1,0,1,0,0|2,0,0]=4 199 B13R2.12 BrC1=CC=C(C2NCCC2)C=C1 AK-29984 [0,1,0,1,0,0|2,0,0]=4 200 B13R2.12 BrC1=CC=C(N2CCCC2)C=C1 AK-41536 [0,1,0,1,0,0|2,0,0]=4 201 B13R2.12 BrC1=CC=C([C@@H]2NCCC2)C=C1 AK172644 [0,1,0,1,0,0|2,0,0]=4 202 B13R2.12 BrC1=CC=C([C@H]2NCCC2)C=C1 AK548234 [0,1,0,1,0,0|2,0,0]=4 203 B13R2.12 BrC1=CN=C(C2NCCC2)C=C1 AK-77388 [0,1,0,1,0,0|1,0,0]=3 204 B13R2.12 BrC1=NC=C(N2CCCC2)N=C1 AK136910 [0,1,0,1,0,0|2,0,0]=4 205 B13R2.12 C1=CC(=NN=C1N2CCCC2)Cl AK-17002 [0,1,0,1,0,0|2,0,0]=4 206 B13R2.12 CC1=CC=C(C2CCCC2)C=C1 AK141958 [0,1,0,1,0,0|1,0,0]=3 207 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 AK-26197 [0,1,0,1,0,0|2,0,0]=4 208 B13R2.12 ClC1=CC=C([C@@H]2NCCC2)C=C1 AK486790 [0,1,0,1,0,0|2,0,0]=4 209 B13R2.12 ClC1=CC=C([C@H]2NCCC2)C=C1 AK204264 [0,1,0,1,0,0|2,0,0]=4 210 B13R2.12 ClC1=CC=C([C@H]2NCCC2)C=C1 AK550970 [0,1,0,1,0,0|2,0,0]=4 211 B13R2.12 FC1=CC=C([C@@H]2NCCC2)C=C1 AK165053 [0,1,0,1,0,0|2,0,0]=4 212 B13R2.12 FC1=CC=C([C@H]2NCCC2)C=C1 AK113957 [0,1,0,1,0,0|2,0,0]=4 213 B13R2.12 FC1=CC=C([C@H]2NCCC2)C=C1 AK131280 [0,1,0,1,0,0|2,0,0]=4 214 B13R2.12 FC1=CN=C([C@H]2NCCC2)C=C1 AK668449 [0,1,0,1,0,0|1,0,0]=3 215 B13R2.12 N1(CCCC1)C2=CC=C(N)C=C2 AK-21973 [0,1,0,1,0,0|2,0,0]=4 216 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 AK-78670 [0,1,0,1,0,0|2,0,0]=4 217 B13R2.162 CC1CCNC2=C1C=C(Br)C=C2 AK145752 [0,1,0,1,0,0|2,0,0]=4 218 B13R2.162 NC1=CC=C2C(=C1)N(CCC2)C AK-24010 [0,1,0,1,0,0|2,0,0]=4 219 B13R2.162 NC1CCCC2=C1C=C(Br)C=C2 AK-44781 [0,1,0,1,0,0|2,0,0]=4 220 B13R2.162 NC1CCCC2=C1C=C(Br)C=C2 AK173312 [0,1,0,1,0,0|2,0,0]=4 221 B13R2.162 NC1CCCC2=C1C=C(C)C=C2 AK172723 [0,1,0,1,0,0|2,0,0]=4 222 B13R2.162 O=C1C2=C(N=CC(Cl)=C2)CCC1 AK-31112 [0,1,0,1,0,0|1,0,1]=4 223 B13R2.162 OC1CCCC2=C1C=C(N)C=C2 AK-82613 [0,1,0,1,0,0|2,0,0]=4 224 B13R2.527 ClC1=CC=C(C=C1)NCC2CC2 AK554455 [0,1,0,1,0,0|2,0,0]=4 225 B13R2.3729 BrC1=CC=C2C(CNCCC2)=C1 AK128395 [0,1,0,1,0,0|2,0,0]=4 226 B13R2.3729 BrC1=CC=C2C(NCCCC2)=C1 AK142770 [0,1,0,1,0,0|2,0,0]=4 227 B13R2.1 NCCC1CNC2=C1C=CC=C2 AK-31277 [0,1,0,1,0,0|2,0,0]=4 228 B13R2.3 C1(C2=CC=CC=C2)=CCCCC1 AK339077 [0,1,0,1,0,0|1,0,1]=4 229 B13R2.3 C1(C2=CC=CC=C2)CCNCC1 AK-44099 [0,1,0,1,0,0|1,0,0]=3 230 B13R2.3 C1(C2=CC=CC=C2)CCNCC1 AK-44860 [0,1,0,1,0,0|1,0,0]=3 231 B13R2.3 C1(C2=CC=CC=C2)NCCSC1 AK-21259 [0,1,0,1,0,0|2,0,0]=4 232 B13R2.3 C1(C2=NC=CC=C2)CNCCO1 AK130861 [0,1,0,1,0,0|1,0,0]=3 233 B13R2.3 C1(C2CCCCC2)=CC=CC=C1 AK-97259 [0,1,0,1,0,0|1,0,0]=3 234 B13R2.3 C1(C2CCNCC2)=CC=CN=C1 AK159193 [0,1,0,1,0,0|2,0,0]=4 235 B13R2.3 C1(C2CNCCC2)=NC=CC=C1 AK120872 [0,1,0,1,0,0|0,0,0]=2 236 B13R2.3 C1(N2CCNCC2)=NC=CC=N1 AK-28969 [0,1,0,1,0,0|2,0,0]=4 237 B13R2.3 C1(N2CCNCC2)=NC=NC=C1 AK-64564 [0,1,0,1,0,0|2,0,0]=4 238 B13R2.3 C1(N2CCNCC2)=NC=NC=C1 AK128822 [0,1,0,1,0,0|2,0,0]=4 239 B13R2.3 C1([C@H]2NCCCC2)=CC=CN=C1 AK684517 [0,1,0,1,0,0|2,0,0]=4 240 B13R2.3 C1=C(C2NCCNC2)C=CC=C1 AK-16309 [0,1,0,1,0,0|2,0,0]=4 241 B13R2.3 C1CCC(NC1)C2=CC=CC=C2 AK110601 [0,1,0,1,0,0|1,0,0]=3 242 B13R2.3 N1(C2=NC=CC=N2)CCOCC1 AK151134 [0,1,0,1,0,0|2,0,0]=4 243 B13R2.3 N1(CCNCC1)C2=CC=CN=N2 AK-24018 [0,1,0,1,0,0|2,0,0]=4 244 B13R2.3 N1=CC=C(C=C1)N2CCCCC2 AK-29072 [0,1,0,1,0,0|2,0,0]=4 245 B13R2.3 N1CCC(CC1)C2=NC=CC=N2 AK-68906 [0,1,0,1,0,0|1,0,0]=3 246 B13R2.3 [C@@H]1(C2=CC=CC=C2)CNCCC1 AK-86176 [0,1,0,1,0,0|1,0,0]=3 247 B13R2.3 [C@@H]1(C2=CC=CC=C2)NCCCC1 AK185732 [0,1,0,1,0,0|1,0,0]=3 248 B13R2.3 [C@@H]1(C2=CC=CC=C2)NCCOC1 AK-87116 [0,1,0,1,0,0|2,0,0]=4 249 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCCC1 AK185822 [0,1,0,1,0,0|1,0,0]=3 250 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCOC1 AK109204 [0,1,0,1,0,0|2,0,0]=4 251 B13R2.15 NC1C(C2=CC=CC=C2)CCC1 AK162235 [0,1,0,1,0,0|1,0,0]=3 252 B13R2.64 C1(OC2=CC=CC=C2)CNCC1 AK305202 [0,1,0,1,0,0|2,0,0]=4 253 B13R2.64 N1(CC2=CC=CC=C2)CCCC1 AK140155 [0,1,0,1,0,0|1,0,0]=3 254 B13R2.67 C12=CC=CC=C1CNCCCN2 AK175273 [0,1,0,1,0,0|2,0,0]=4 255 B13R2.1613 CCC1NCCC2=C1C=CC=C2 AK-28676 [0,1,0,1,0,0|1,0,0]=3 256 B13R2.1613 N#CC1CCCC2=C1C=CC=C2 AK-87368 [0,1,0,1,0,0|1,0,1]=4 257 B13R2.2382 C1(COCC2=CC=CC=C2)OC1 AK101061 [0,1,0,1,0,0|2,0,0]=4 258 B13R2.2382 [C@@H]1(COCC2=CC=CC=C2)OC1 AK-77308 [0,1,0,1,0,0|2,0,0]=4 259 B13R2.2382 [C@H]1(COCC2=CC=CC=C2)OC1 AK-49064 [0,1,0,1,0,0|2,0,0]=4 260 B13R2.2383 C1(NCC2=CC=CC=C2)COC1 AK165139 [0,1,0,1,0,0|2,0,0]=4 261 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 AK-93411 [0,1,0,1,0,0|2,0,0]=4 262 B13R2.5252 NC1C2=CC=CC=C2OCCC1 AK544241 [0,1,0,1,0,0|2,0,0]=4 263 B13R2.32 NC1CCC2=C(C=CC=C2)C1O AK-55883 [0,1,0,1,0,0|2,0,0]=4 264 B13R2.32 OC1C(N)C2=C(C=CC=C2)CC1 AK134664 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.57 NCC1CCC2=C(O1)C=CC=C2 AK552036 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.57 NC[C@H]1CCC2=C(O1)C=CC=C2 AK130937 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.57 OCC1CCC2=C(N1)C=CC=C2 AK-43442 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.13 BrC1=CC(C2NCCC2)=CC=C1 AK544215 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.13 BrC1=CC(N2CCCC2)=CC=C1 AK-90852 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.13 BrC1=CC([C@H]2NCCC2)=CC=C1 AK172649 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.13 CC1=CC(C2NCCC2)=CC=C1 AK-26292 [0,1,0,1,0,0|2,0,0]=4 272 B13R2.13 ClC1=CC([C@@H]2NCCC2)=CC=C1 AK172650 [0,1,0,1,0,0|2,0,0]=4 273 B13R2.13 ClC1=NC=CC(N2CCCC2)=N1 AK-90414 [0,1,0,1,0,0|2,0,0]=4 274 B13R2.13 FC1=CC(=CC=C1)C2CCCN2 AK-29104 [0,1,0,1,0,0|2,0,0]=4 275 B13R2.13 FC1=CC([C@@H]2NCCC2)=CC=C1 AK162214 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.13 NC1=CC=CC([C@@H]2NCCC2)=C1 AK608026 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.13 NC1=CC=CC([C@H]2NCCC2)=C1 AK608027 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.13 OC1=CC=CC(C2NCCC2)=C1 AK608020 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 AK-89523 [0,1,0,1,0,0|2,0,0]=4 280 B13R2.5179 NC1CCCC2=C1C=CC(C)=C2 AK687515 [0,1,0,1,0,0|2,0,0]=4 281 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 AK544248 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.5179 OC1=CC=C2C(N)CCCC2=C1 AK687513 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 AK-80112 [0,1,0,1,0,0|1,0,1]=4 284 B13R2.8137 NC(C1CCC1)C2=CC=CC=C2 AK167723 [0,1,0,1,0,0|1,0,0]=3 285 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 AK-26113 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.163 O=C1CCCC2=CC=CN=C2N1 AK-87283 [0,1,0,1,0,0|1,0,1]=4 287 B13R2.328 CC1CC(C)NC2=C1C=CC=C2 AK314918 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.423 O=C(C1C(C2=NC=CC=C2)C1)O AK155239 [0,1,0,1,0,0|1,0,1]=4 289 B13R2.3122 CC1(C)CNCC2=C1C=CC=C2 AK140770 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.18 BrC1=CC=CC=C1C2CNCC2 AK328186 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.18 BrC1=CC=CC=C1C2NCCC2 AK-29815 [0,1,0,1,0,0|2,0,0]=4 292 B13R2.18 ClC1=CC=CC=C1[C@@H]2NCCC2 AK687503 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.18 ClC1=CC=CC=C1[C@H]2NCCC2 AK687504 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.18 FC1=CC=CC=C1C2NCCC2 AK-29469 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.18 OC1=CC=CC=C1C2NCCC2 AK608121 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.342 NC1CCCC2=C1C=CC=C2Br AK172685 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.342 NC1CCCC2=C1C=CC=C2Br AK204960 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.342 NC1CCCC2=C1C=CC=C2Cl AK172639 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.342 N[C@H]1CCCC2=C1C=CC=C2Br AK172687 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.12 CCCCC1=CC=CS1 AK142166 [1,0,0,0,1,0|1,0,0]=3 301 B9R1.12 CCOCC1=CC=CO1 AK119688 [1,0,0,0,1,0|2,0,0]=4