0 B14R1.520 C(C)OC(CCNC1=NC=CC=C1)=O AK-31676 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 AK-26991 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.520 O=C(OCC)NCCC1=CC=CC=C1 AK-47113 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.718 C1=CC=CC=C1NCCC(=O)OC AK-48038 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.718 O=C(OC)CNCC1=CC=CC=C1 AK-62852 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.718 O=C(OC)COCC1=CC=CC=C1 AK164941 [1,0,0,0,0,0|1,0,0]=2 6 B15R1.11 O=C(OCC)CCCC1=CC=C(Br)C=C1 AK109535 [0,1,0,0,0,0|0,0,0]=1 7 B15R1.89 O=C(OCC)\C=C\C(C1=CC=CC=C1)=O AK-98826 [0,1,0,0,0,0|0,0,3]=4 8 B15R1.809 O=C(OCC)CC(CC1=CC=CC=C1)=O AK-32542 [0,1,0,0,0,0|0,0,1]=2 9 B15R1.826 O=C(OCC)C(CCC1=CC=CC=C1)=O AK116966 [0,1,0,0,0,0|0,0,1]=2 10 B15R1.826 O=C(OCC)[C@@H](N)CCC1=CC=CC=C1 AK-47422 [0,1,0,0,0,0|0,0,0]=1 11 B15R1.826 O=C(OCC)[C@H](N)CCC1=CC=CC=C1 AK-61280 [0,1,0,0,0,0|0,0,0]=1 12 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK-35368 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK-39170 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK105100 [0,0,0,1,0,0|2,0,0]=3 15 B15R2.73 C1=CC=CC2=C1C(=N[NH]2)C(=O)OCC AK-22230 [0,0,0,1,0,0|2,0,1]=4 16 B15R2.73 O1C2=C(C(=N1)C(=O)OCC)C=CC=C2 AK-31279 [0,0,0,1,0,0|2,0,1]=4 17 B15R2.73 O=C(C1=CNC2=C1C=CC=C2)OCC AK-81959 [0,0,0,1,0,0|1,0,2]=4 18 B15R2.325 O=C1CN(CC2=CC=CC=C2)C(C)C1 AK158364 [0,0,0,1,0,0|2,0,0]=3 19 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(O1)=O AK-94111 [0,0,0,1,0,0|2,0,1]=4 20 B13R1.42 C(C)OC(COC1=CC=CN=C1)=O AK-37073 [0,0,0,0,1,0|2,0,0]=3 21 B13R1.42 CCOC(=O)C=CC1=CC=NC=C1 AK-49599 [0,0,0,0,1,0|1,0,2]=4 22 B13R1.42 NCCC(OCC1=CC=CC=C1)=O AK-81294 [0,0,0,0,1,0|3,0,0]=4 23 B12R1.8 CCCCCCC1=CC=NC=C1 AK123346 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [2,0,0,0,0,0|0,0,1]=3 30 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [2,0,0,0,0,0|1,0,0]=3 32 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 AK109314 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AK-78922 [1,1,0,0,0,0|0,0,1]=3 34 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 AK-43947 [0,1,0,0,1,0|0,0,0]=2 35 B14R1.29 O=C(OCC)CC(C1=CC=CC=C1)=O AK-72988 [0,1,0,0,1,0|0,0,1]=3 36 B14R1.29 O=C(OCC)CC(C1=CC=NC=C1)=O AK-23981 [0,1,0,0,1,0|1,0,1]=4 37 B14R1.29 O=C(OCC)CC(C1=NC=CC=C1)=O AK-39258 [0,1,0,0,1,0|1,0,1]=4 38 B14R1.29 O=C(OCC)CC(N)C1=CC=CN=C1 AK-82823 [0,1,0,0,1,0|1,0,0]=3 39 B14R1.29 O=C(OCC)CC(O)C1=CC=CC=C1 AK-82824 [0,1,0,0,1,0|0,0,0]=2 40 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 AK-60005 [0,1,0,0,1,0|0,0,0]=2 41 B14R1.32 O=C(OCC)CNC1=CC=CC(Br)=C1 AK312747 [0,1,0,0,1,0|1,0,0]=3 42 B14R1.60 N[C@@H](CC1=CC=CC=C1)C(OCC)=O AK-46035 [0,1,0,0,1,0|0,0,0]=2 43 B14R1.60 O=C(OCC)C(N)CC1=CC=CC=C1 AK544810 [0,1,0,0,1,0|0,0,0]=2 44 B14R1.502 BrC1=CC=C(C=C1)CCC(=O)OCC AK-35074 [0,1,0,0,1,0|0,0,0]=2 45 B14R1.502 CCOC(=O)/C=C/C1=CC=C(O)C=C1 AK104398 [0,1,0,0,1,0|0,0,2]=4 46 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AK-72737 [0,1,0,0,1,0|0,0,0]=2 47 B14R1.502 O=C(OCC)C#CC1=CC=C(Cl)C=C1 AK156093 [0,1,0,0,1,0|0,0,2]=4 48 B14R1.502 O=C(OCC)\C=C\C1=CC=C(Br)C=C1 AK112240 [0,1,0,0,1,0|0,0,2]=4 49 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 AK-47819 [0,1,0,0,1,0|0,0,0]=2 50 B14R1.598 O=C(OCC)COC1=CC=CC=C1O AK-97218 [0,1,0,0,1,0|1,0,0]=3 51 B16R1.9 O=C(OCC)CCCOC1=CC=C(Br)C=C1 AK544565 [0,1,0,0,0,1|0,0,0]=2 52 B16R1.9 O=C(OCC)CCCOC1=CC=C(Cl)C=C1 AK544566 [0,1,0,0,0,1|0,0,0]=2 53 B16R1.1570 O=C(OCC)CC(NCC1=CC=CC=C1)=O AK173294 [0,1,0,0,0,1|0,0,1]=3 54 B16R1.58 O=C(OCC)CCC(C1=CC=C(Br)C=C1)=O AK140350 [0,2,0,0,0,0|0,0,1]=3 55 B16R1.1543 COC1=CC=C(C=C1)CNCC(=O)OCC AK-39803 [0,2,0,0,0,0|1,0,0]=3 56 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 AK-77196 [0,2,0,0,0,0|2,0,0]=4 57 B14R2.6 C1(CC2=CC=CC=C2)CCNCC1 AK-41619 [1,0,0,1,0,0|1,0,1]=4 58 B14R2.6 N1(CC2=CC=CC=C2)CC=CCC1 AK122058 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.6 N1(CC2=CC=CC=C2)CCOCC1 AK-98173 [1,0,0,1,0,0|1,0,1]=4 60 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AK-26329 [1,0,0,1,0,0|1,0,0]=3 61 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [1,0,0,1,0,0|0,0,0]=2 62 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [1,0,0,1,0,0|1,0,0]=3 63 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [1,0,0,1,0,0|1,0,0]=3 64 B14R2.68 N1=CC=C(C=C1)N2CCC(CC2)=O AK-39834 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 AK116639 [1,0,0,1,0,0|0,0,0]=2 66 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 AK-45360 [1,0,0,1,0,0|1,0,0]=3 67 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 AK143261 [1,0,0,1,0,0|1,0,0]=3 68 B14R2.21 C1(=CC=CC=C1)C2CC(CCO2)=O AK-33344 [0,0,0,1,1,0|2,0,0]=4 69 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 AK-51101 [0,0,0,1,1,0|2,0,0]=4 70 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,0,0,1,1,0|2,0,0]=4 71 B16R2.5 C1=CC=CC2=C1C(=C[NH]2)CC(OCC)=O AK-73083 [0,0,0,1,0,1|0,0,2]=4 72 B16R2.252 O=C1NCCN(CCC2=CC=CC=C2)C1 AK146852 [0,0,0,1,0,1|1,0,0]=3 73 B16R2.3258 C(C1=CC=CC=C1)N2CCCC(CC2)=O AK-32987 [0,0,0,1,0,1|1,0,0]=3 74 B16R2.3258 C1=C(CN2CCC(=O)NCC2)C=CC=C1 AK-26119 [0,0,0,1,0,1|1,0,0]=3 75 B16R2.3253 O=C1CN(CC2=CC=CC=C2)CCCC1 AK-29872 [0,1,0,1,0,0|2,0,0]=4 76 B16R2.734 CCOC(=O)CC1=NC2=C(S1)C=CC=C2 AK-79400 [0,1,0,1,0,0|1,0,1]=4 77 B16R2.734 O=C(OCC)CC1=NC2=CC=CC=C2O1 AK686958 [0,1,0,1,0,0|1,0,1]=4 78 B16R2.734 O=C(OCC)CC=1NC2=C(C1)C=CC=C2 AK-50530 [0,1,0,1,0,0|0,0,2]=4 79 B16R2.767 O=C(C1OC2=CC=CC=C2OC1)OCC AK-35277 [0,1,0,1,0,0|1,0,0]=3 80 B16R2.124 O=C1CN(CC2=CC=CC=C2)CCC1C AK166893 [0,1,0,1,0,0|2,0,0]=4 81 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [1,0,0,0,1,0|0,0,0]=2 82 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [1,0,0,0,1,0|1,0,0]=3 83 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [1,0,0,0,1,0|1,0,0]=3 84 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [1,0,0,0,1,0|0,0,2]=4 85 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [1,0,0,0,1,0|2,0,0]=4 86 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [1,0,0,0,1,0|2,0,0]=4 87 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [1,0,0,0,1,0|2,0,0]=4 88 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [1,0,0,0,1,0|2,0,0]=4 89 B12R1.32 C(C)OC(CC1=NC=CC=N1)=O AK-24266 [0,0,0,0,2,0|2,0,0]=4 90 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,0,0,0,2,0|1,0,0]=3 91 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,0,0,0,2,0|0,0,0]=2 92 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [0,0,0,0,2,0|1,0,0]=3 93 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [0,0,0,0,2,0|1,0,0]=3