0 B13R1.42 C(C)OC(COC1=CC=CN=C1)=O AK-37073 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.42 CCOC(=O)C=CC1=CC=NC=C1 AK-49599 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.42 NCCC(OCC1=CC=CC=C1)=O AK-81294 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.42 O=C(NCC1=CC=CC=C1)CC#N AK305341 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C AK-86292 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.8 CCCCCCC1=CC=NC=C1 AK123346 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [1,0,0,0,0,0|0,0,0]=1 7 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [1,0,0,0,0,0|0,0,2]=3 11 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [1,0,0,0,0,0|3,0,0]=4 16 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 AK-43947 [0,1,0,0,0,0|0,0,0]=1 17 B14R1.29 O=C(OCC)CC(C1=CC=CC=C1)=O AK-72988 [0,1,0,0,0,0|0,0,1]=2 18 B14R1.29 O=C(OCC)CC(C1=CC=NC=C1)=O AK-23981 [0,1,0,0,0,0|1,0,1]=3 19 B14R1.29 O=C(OCC)CC(C1=NC=CC=C1)=O AK-39258 [0,1,0,0,0,0|1,0,1]=3 20 B14R1.29 O=C(OCC)CC(N)C1=CC=CN=C1 AK-82823 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.29 O=C(OCC)CC(O)C1=CC=CC=C1 AK-82824 [0,1,0,0,0,0|0,0,0]=1 22 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 AK-60005 [0,1,0,0,0,0|0,0,0]=1 23 B14R1.32 O=C(OCC)CNC1=CC=CC(Br)=C1 AK312747 [0,1,0,0,0,0|1,0,0]=2 24 B14R1.60 N[C@@H](CC1=CC=CC=C1)C(OCC)=O AK-46035 [0,1,0,0,0,0|0,0,0]=1 25 B14R1.60 O=C(OCC)C(N)CC1=CC=CC=C1 AK544810 [0,1,0,0,0,0|0,0,0]=1 26 B14R1.156 BrCCNC(=O)OCC1=CC=CC=C1 AK-41250 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.156 O=C(OCC1=CC=CC=C1)CCCBr AK116323 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.156 O=C(OCC1=CC=CC=C1)CCCN AK-87747 [0,1,0,0,0,0|2,0,0]=3 29 B14R1.156 O=C(OCC1=CC=CC=C1)NCCN AK-43139 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.156 O=C(OCC1=CC=CC=C1)NCCO AK-90111 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.156 O=C(OCC=C)\C=C\C1=CC=CC=C1 AK114249 [0,1,0,0,0,0|0,0,3]=4 32 B14R1.502 BrC1=CC=C(C=C1)CCC(=O)OCC AK-35074 [0,1,0,0,0,0|0,0,0]=1 33 B14R1.502 CCOC(=O)/C=C/C1=CC=C(O)C=C1 AK104398 [0,1,0,0,0,0|0,0,2]=3 34 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AK-72737 [0,1,0,0,0,0|0,0,0]=1 35 B14R1.502 O=C(OCC)C#CC1=CC=C(Cl)C=C1 AK156093 [0,1,0,0,0,0|0,0,2]=3 36 B14R1.502 O=C(OCC)\C=C\C1=CC=C(Br)C=C1 AK112240 [0,1,0,0,0,0|0,0,2]=3 37 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 AK-47819 [0,1,0,0,0,0|0,0,0]=1 38 B14R1.598 O=C(OCC)COC1=CC=CC=C1O AK-97218 [0,1,0,0,0,0|1,0,0]=2 39 B14R1.756 N[C@@H](CO)C(OCC1=CC=CC=C1)=O AK-41494 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.756 N[C@H](CO)C(OCC1=CC=CC=C1)=O AK-49420 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.21 C1(=CC=CC=C1)C2CC(CCO2)=O AK-33344 [0,0,0,1,0,0|2,0,0]=3 42 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AK-84674 [0,0,0,1,0,0|3,0,0]=4 43 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 AK-51101 [0,0,0,1,0,0|2,0,0]=3 44 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,0,0,1,0,0|2,0,0]=3 45 B12R1.32 C(C)OC(CC1=NC=CC=N1)=O AK-24266 [0,0,0,0,1,0|2,0,0]=3 46 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,0,0,0,1,0|1,0,0]=2 47 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,0,0,0,1,0|0,0,0]=1 48 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [0,0,0,0,1,0|1,0,0]=2 49 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [0,0,0,0,1,0|1,0,0]=2 50 B14R1.520 C(C)OC(CCNC1=NC=CC=C1)=O AK-31676 [0,0,0,0,0,1|1,0,0]=2 51 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 AK-26991 [0,0,0,0,0,1|0,0,0]=1 52 B14R1.520 O=C(OCC)NCCC1=CC=CC=C1 AK-47113 [0,0,0,0,0,1|0,0,0]=1 53 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [2,0,0,0,0,0|0,0,2]=4 57 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [2,0,0,0,0,0|0,0,2]=4 61 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [2,0,0,0,0,0|0,0,0]=2 62 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [2,0,0,0,0,0|0,0,2]=4 65 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [2,0,0,0,0,0|1,0,1]=4 66 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [2,0,0,0,0,0|1,0,1]=4 67 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [2,0,0,0,0,0|1,0,0]=3 68 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [2,0,0,0,0,0|2,0,0]=4 69 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 AK-41336 [1,1,0,0,0,0|1,0,1]=4 70 B13R1.11 O=C(OC)CC(C1=NC=CC=C1)=O AK-50095 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.11 O=C(OC)CC(N)C1=NC=CC=C1 AK409737 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.11 O=C(OC)CN(C)C1=NC=CC=C1 AK134945 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104659 [1,1,0,0,0,0|0,0,0]=2 74 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104667 [1,1,0,0,0,0|0,0,0]=2 75 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [1,1,0,0,0,0|0,0,0]=2 76 B13R1.14 COC(=O)/C=C/C1=CC=C(O)C=C1 AK109487 [1,1,0,0,0,0|0,0,2]=4 77 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [1,1,0,0,0,0|0,0,0]=2 78 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [1,1,0,0,0,0|0,0,0]=2 79 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [1,1,0,0,0,0|0,0,0]=2 80 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [1,1,0,0,0,0|0,0,0]=2 81 B13R1.14 O=C(OC)CNC1=CC=C(O)C=C1 AK-88073 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 AK117162 [1,1,0,0,0,0|0,0,2]=4 83 B13R1.14 O=C(OC)\C=C\C1=CC=C(O)C=C1 AK-49067 [1,1,0,0,0,0|0,0,2]=4 84 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 AK-79037 [1,1,0,0,0,0|0,0,0]=2 85 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 AK-83017 [1,1,0,0,0,0|0,0,0]=2 86 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [1,1,0,0,0,0|0,0,0]=2 87 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [1,1,0,0,0,0|0,0,0]=2 88 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [1,1,0,0,0,0|0,0,0]=2 89 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [1,1,0,0,0,0|0,0,0]=2 90 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [1,1,0,0,0,0|0,0,0]=2 91 B13R1.351 C1=CC=CC=C1COC(C(C)N)=O AK-41707 [1,1,0,0,0,0|1,0,0]=3 92 B13R1.351 C[C@@H](N)C(OCC1=CC=CC=C1)=O AK-49776 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.351 C[C@H](N)C(OCC1=CC=CC=C1)=O AK-49907 [1,1,0,0,0,0|1,0,0]=3 94 B13R1.351 NN(C(OCC1=CC=CC=C1)=O)C AK-68379 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [1,1,0,0,0,0|1,0,1]=4 96 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AK-48437 [1,1,0,0,0,0|0,0,0]=2 97 B13R1.19 C(C)OC(CC1=NC=C(C=N1)Br)=O AK-24270 [0,1,0,0,1,0|2,0,0]=4 98 B13R1.19 C1=C(CC(OCC)=O)C=CC(=C1)O AK-62643 [0,1,0,0,1,0|0,0,0]=2 99 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)Br AK-73014 [0,1,0,0,1,0|0,0,0]=2 100 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)Cl AK-45269 [0,1,0,0,1,0|0,0,0]=2 101 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)F AK-35766 [0,1,0,0,1,0|0,0,0]=2 102 B13R1.19 O=C(OCC)CC1=CC=C(N)C=C1 AK-77257 [0,1,0,0,1,0|0,0,0]=2 103 B13R1.19 O=C(OCC)CC1=CC=C(N)N=C1 AK165027 [0,1,0,0,1,0|1,0,0]=3 104 B13R1.20 BrC1=CC=CC(=C1)CC(=O)OCC AK-47271 [0,1,0,0,1,0|0,0,0]=2 105 B13R1.20 CCOC(=O)CC1=NC(Br)=CC=C1 AK110628 [0,1,0,0,1,0|1,0,0]=3 106 B13R1.20 CCOC(=O)CC1=NC(C)=CC=C1 AK-90308 [0,1,0,0,1,0|1,0,0]=3 107 B13R1.20 O=C(OCC)CC1=CC=CC(O)=C1 AK146400 [0,1,0,0,1,0|0,0,0]=2 108 B13R1.20 O=C(OCC)CC1=NC(Cl)=CC=C1 AK-74296 [0,1,0,0,1,0|1,0,0]=3 109 B13R1.20 O=C(OCC)CC1=NC(N)=CC=C1 AK-72798 [0,1,0,0,1,0|1,0,0]=3 110 B13R1.47 O=C(OCC)C(C1=CC=CN=C1)=O AK-40228 [0,1,0,0,1,0|1,0,1]=4 111 B13R1.47 O=C(OCC)[C@H](N)C1=CC=CC=C1 AK-63329 [0,1,0,0,1,0|0,0,0]=2 112 B13R1.348 CC(C)CC(CC1=CC=CC=C1)=O AK115092 [0,1,0,0,1,0|1,0,0]=3 113 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 AK-89593 [0,1,0,0,1,0|1,0,0]=3 114 B13R1.470 CCOC(=O)CC1=C(Cl)C=CC=C1 AK-40513 [0,1,0,0,1,0|0,0,0]=2 115 B13R1.470 CCOC(=O)CC1=C(O)N=CN=C1 AK111332 [0,1,0,0,1,0|2,0,0]=4 116 B13R1.470 CCOC(=O)CC1=NC=CC=C1Br AK-82088 [0,1,0,0,1,0|1,0,0]=3 117 B13R1.470 O=C(OCC)CC1=CC=CC=C1I AK146854 [0,1,0,0,1,0|0,0,0]=2 118 B13R1.470 O=C(OCC)CC1=CN=CN=C1Cl AK137920 [0,1,0,0,1,0|2,0,0]=4 119 B13R1.470 O=C(OCC)CC1=NC=NC=C1Br AK-39779 [0,1,0,0,1,0|2,0,0]=4 120 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 AK-81672 [0,1,0,0,1,0|1,0,1]=4 121 B13R1.33 O=C(OCC)CC(C1=CC=CS1)=O AK-25395 [0,1,0,0,1,0|1,0,1]=4 122 B13R1.33 O=C(OCC)CC(C1=COC=C1)=O AK-86212 [0,1,0,0,1,0|1,0,1]=4 123 B15R1.11 O=C(OCC)CCCC1=CC=C(Br)C=C1 AK109535 [0,1,0,0,0,1|0,0,0]=2 124 B15R1.89 O=C(OCC)\C=C\C(C1=CC=CC=C1)=O AK-98826 [0,1,0,0,0,1|0,0,2]=4 125 B15R1.809 O=C(OCC)CC(CC1=CC=CC=C1)=O AK-32542 [0,1,0,0,0,1|0,0,0]=2 126 B15R1.826 O=C(OCC)C(CCC1=CC=CC=C1)=O AK116966 [0,1,0,0,0,1|0,0,0]=2 127 B15R1.826 O=C(OCC)[C@@H](N)CCC1=CC=CC=C1 AK-47422 [0,1,0,0,0,1|0,0,0]=2 128 B15R1.826 O=C(OCC)[C@H](N)CCC1=CC=CC=C1 AK-61280 [0,1,0,0,0,1|0,0,0]=2 129 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Br)C=C1 AK-73052 [0,2,0,0,0,0|0,0,1]=3 130 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(C)C=C1 AK-81571 [0,2,0,0,0,0|0,0,1]=3 131 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Cl)C=C1 AK-29089 [0,2,0,0,0,0|0,0,1]=3 132 B15R1.23 O=C(OCC)CC(C1=CC=C(F)C=C1)=O AK-33969 [0,2,0,0,0,0|0,0,1]=3 133 B15R1.23 O=C(OCC)CC(C1=CC=C(I)C=C1)=O AK-86466 [0,2,0,0,0,0|0,0,1]=3 134 B15R1.24 CCOC(=O)CC(=O)C1=CC(C)=CC=C1 AK-81597 [0,2,0,0,0,0|0,0,1]=3 135 B15R1.24 O=C(OCC)CC(C1=CC=CC(F)=C1)=O AK-34723 [0,2,0,0,0,0|0,0,1]=3 136 B15R1.578 O=C(OCC)C(C)C(C1=CC=CC=C1)=O AK-55970 [0,2,0,0,0,0|0,0,1]=3 137 B15R1.3722 CCOC(=O)CC(=O)C1=C(Cl)C=CC=C1 AK-44302 [0,2,0,0,0,0|0,0,1]=3 138 B15R1.3722 O=C(OCC)CC(C1=CC=CC=C1C)=O AK-81663 [0,2,0,0,0,0|0,0,1]=3 139 B15R1.10390 O=C(OCC)\C=C\C1=CC=C(O)C(O)=C1 AK-88790 [0,2,0,0,0,0|0,0,2]=4 140 B15R1.48 N[C@@H](CC1=CC=C(C=C1)O)C(OCC)=O AK-49774 [0,2,0,0,0,0|0,0,0]=2 141 B15R1.48 O=C(OCC)[C@@H](N)CC1=CC=C(F)C=C1 AK186524 [0,2,0,0,0,0|0,0,0]=2 142 B15R1.48 O=C(OCC)[C@H](N)CC1=CC=C(F)C=C1 AK668446 [0,2,0,0,0,0|0,0,0]=2 143 B15R1.48 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OCC AK-49585 [0,2,0,0,0,0|0,0,0]=2 144 B15R1.78 CNCCNC(OCC1=CC=CC=C1)=O AK-42171 [0,2,0,0,0,0|2,0,0]=4 145 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 AK106985 [0,2,0,0,0,0|2,0,0]=4 146 B15R1.78 O=CCCNC(=O)OCC1=CC=CC=C1 AK-45796 [0,2,0,0,0,0|2,0,0]=4 147 B15R1.741 C[C@H](NC(OCC1=CC=CC=C1)=O)CN AK-42239 [0,2,0,0,0,0|2,0,0]=4 148 B15R1.741 O=C(OCC1=CC=CC=C1)N[C@@H](C)CO AK-81735 [0,2,0,0,0,0|2,0,0]=4 149 B15R1.793 O=C(OCC)CCC1=CC=C(CO)C=C1 AK198688 [0,2,0,0,0,0|0,0,0]=2 150 B15R1.793 O=C(OCC)\C=C\C1=CC=C(OC)C=C1 AK-86469 [0,2,0,0,0,0|0,0,2]=4 151 B15R1.768 O=C(OCC)COC1=CC=CC=C1OC AK-57462 [0,2,0,0,0,0|1,0,0]=3 152 B15R1.3678 CC(C)[C@@H](N)C(OCC1=CC=CC=C1)=O AK-62685 [0,2,0,0,0,0|2,0,0]=4 153 B15R1.3678 C[C@@H](O)[C@H](N)C(OCC1=CC=CC=C1)=O AK119675 [0,2,0,0,0,0|2,0,0]=4 154 B15R1.3678 C[C@@H](O)[C@H](N)C(OCC1=CC=CC=C1)=O AK161886 [0,2,0,0,0,0|2,0,0]=4 155 B15R1.3678 C[C@H](O)[C@@H](N)C(OCC1=CC=CC=C1)=O AK170255 [0,2,0,0,0,0|2,0,0]=4 156 B15R1.3678 [C@H](N)(C(C)C)C(=O)OCC1=CC=CC=C1 AK-41455 [0,2,0,0,0,0|2,0,0]=4 157 B15R1.3678 [C@H](N)(C(C)C)C(=O)OCC1=CC=CC=C1 AK-49601 [0,2,0,0,0,0|2,0,0]=4 158 B13R2.3 C1(C2=CC=CC=C2)CCNCC1 AK-44099 [1,0,0,1,0,0|1,0,1]=4 159 B13R2.3 C1(C2=CC=CC=C2)CCNCC1 AK-44860 [1,0,0,1,0,0|1,0,1]=4 160 B13R2.3 C1(C2CCCCC2)=CC=CC=C1 AK-97259 [1,0,0,1,0,0|1,0,1]=4 161 B13R2.3 [C@@H]1(C2=CC=CC=C2)CNCCC1 AK-86176 [1,0,0,1,0,0|2,0,0]=4 162 B13R2.1613 CCC1NCCC2=C1C=CC=C2 AK-28676 [1,0,0,1,0,0|2,0,0]=4 163 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [1,0,0,1,0,0|1,0,0]=3 164 B13R2.10 O=C1OC[C@@H](C2=CC=CC=C2)N1 AK-68242 [1,0,0,1,0,0|1,0,0]=3 165 B13R2.10 [C@H]1(NC(OC1)=O)C2=CC=CC=C2 AK-47582 [1,0,0,1,0,0|1,0,0]=3 166 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [1,0,0,1,0,0|2,0,0]=4 167 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC AK163865 [1,0,0,1,0,0|0,0,0]=2 168 B13R2.135 O=C1N(CC)C2=CC=CC=C2N1 AK-92954 [0,0,0,1,1,0|2,0,0]=4 169 B13R2.163 C1=CC=CC2=C1NC(=O)CCC2 AK-25978 [0,0,0,1,1,0|2,0,0]=4 170 B13R2.163 O=C1NCCC2=CC=CC=C2N1 AK551054 [0,0,0,1,1,0|2,0,0]=4 171 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK-35368 [0,0,0,1,0,1|1,0,0]=3 172 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK-39170 [0,0,0,1,0,1|1,0,0]=3 173 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK105100 [0,0,0,1,0,1|1,0,0]=3 174 B15R2.73 C1=CC=CC2=C1C(=N[NH]2)C(=O)OCC AK-22230 [0,0,0,1,0,1|1,0,1]=4 175 B15R2.73 O1C2=C(C(=N1)C(=O)OCC)C=CC=C2 AK-31279 [0,0,0,1,0,1|1,0,1]=4 176 B15R2.73 O=C(C1=CNC2=C1C=CC=C2)OCC AK-81959 [0,0,0,1,0,1|0,0,2]=4 177 B15R2.325 O=C1CN(CC2=CC=CC=C2)C(C)C1 AK158364 [0,0,0,1,0,1|1,0,0]=3 178 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(O1)=O AK-94111 [0,0,0,1,0,1|1,0,1]=4 179 B15R2.27 O=C1CC(CC(C2=CC=CC=C2)C1)=O AK113533 [0,1,0,1,0,0|1,0,1]=4 180 B15R2.1356 C1=C(C(OCC)=O)[NH]C2=C1C=CC=C2 AK-46087 [0,1,0,1,0,0|0,0,2]=4 181 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2N1 AK105153 [0,1,0,1,0,0|1,0,1]=4 182 B15R2.1356 O=C(C1=CC2=CC=CC=C2O1)OCC AK-34660 [0,1,0,1,0,0|0,0,2]=4 183 B15R2.1356 O=C(N1CC2=C(C1)C=NC=C2)OCC AK-50441 [0,1,0,1,0,0|2,0,0]=4 184 B15R2.4083 O=C1N(CC2=CC=CC=C2)CCC1Br AK127925 [0,1,0,1,0,0|2,0,0]=4 185 B15R2.388 O=S1(OCCC1CC2=CC=CC=C2)=O AK198823 [0,1,0,1,0,0|1,0,0]=3 186 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [1,0,0,0,1,0|1,0,0]=3 187 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,0,0,0,1,0|2,0,0]=4 188 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [1,0,0,0,1,0|2,0,0]=4 189 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [1,0,0,0,1,0|2,0,0]=4 190 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [1,0,0,0,1,0|0,0,0]=2 191 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [1,0,0,0,1,0|2,0,0]=4 192 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [1,0,0,0,1,0|2,0,0]=4 193 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [1,0,0,0,1,0|1,0,0]=3 194 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [1,0,0,0,1,0|2,0,0]=4 195 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [0,0,0,0,2,0|1,0,0]=3 196 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,0,0,0,2,0|1,0,0]=3 197 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,0,0,0,2,0|2,0,0]=4 198 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [0,0,0,0,2,0|2,0,0]=4 199 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [0,0,0,0,2,0|2,0,0]=4 200 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [0,0,0,0,2,0|1,0,0]=3 201 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [0,0,0,0,2,0|1,0,0]=3 202 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,0,0,0,2,0|1,0,0]=3 203 B11R1.30 O=C(OCC)CC1=NNC=C1 AK320228 [0,0,0,0,2,0|2,0,0]=4 204 B11R1.30 S1C=CN=C1CC(=O)OCC AK-31363 [0,0,0,0,2,0|2,0,0]=4