0 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,0,0,0,0,0|0,0,0]=0 15 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [1,0,0,0,0,0|0,0,1]=2 21 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [1,0,0,0,0,0|0,0,1]=2 22 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [1,0,0,0,0,0|0,0,1]=2 23 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [1,0,0,0,0,0|0,0,2]=3 30 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,0,0,0,0,0|0,0,0]=1 31 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [1,0,0,0,0,0|0,0,2]=3 34 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [1,0,0,0,0,0|1,0,2]=4 36 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [1,0,0,0,0,0|1,0,1]=3 38 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [1,0,0,0,0,0|0,0,3]=4 41 B13R1.133 CC1=CC=C(CC(N)C(O)=O)C=C1 AK-35255 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O AK111064 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.133 FC1=CC=C(C[C@H](N)C(=O)O)C=C1 AK-25301 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(O)=O AK-49382 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(O)=O AK-80383 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(O)=O AK-93419 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(O)=O AK-49989 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.133 N[C@H](CC1=CC=C(C)C=C1)C(O)=O AK-81259 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(O)=O AK-49327 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.133 O=C(N)[C@@H](N)CC1=CC=C(O)C=C1 AK117102 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.133 O=C(O)C(N)CC1=CC=C(O)C=C1 AK-81253 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Br)C=C1 AK-75929 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(C)N=C1 AK668447 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Cl)C=C1 AK-81361 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 AK139122 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(N)C=C1 AK-42598 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(O)C=C1 AK-62832 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.133 O=C(O)[C@@H](N)CC1=NC=C(Br)C=C1 AK608004 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(F)C=C1 AK-42471 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(N)C=C1 AK106107 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(O)C=C1 AK-49908 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.133 [C@H](N)(CC1=CC=C(C)C=C1)C(O)=O AK-81281 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O AK-48062 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(O)=O AK-49664 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.148 NC(CC1=CC(F)=CC=C1)C(O)=O AK-80309 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.148 N[C@@H](CC1=CC=CC(C)=C1)C(O)=O AK-41282 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(O)=O AK-45521 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.148 O=C(O)C(N)CC1=CC=CC(C)=C1 AK-89323 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.148 O=C(O)C(N)CC1=CC=CC(O)=C1 AK-50979 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Br)=C1 AK-77026 [0,1,0,0,0,0|0,0,0]=1 76 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1 AK-50137 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1 AK-93785 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(N)=C1 AK325880 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(O)=C1 AK-86473 [0,1,0,0,0,0|0,0,0]=1 80 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Br)=C1 AK-94768 [0,1,0,0,0,0|0,0,0]=1 81 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Cl)=C1 AK162592 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.148 [C@H](N)(CC1=CC=CC(F)=C1)C(O)=O AK-81280 [0,1,0,0,0,0|0,0,0]=1 83 B13R1.152 CC(C(C)C(C1=CC=CC=C1)=O)=O AK-36052 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.152 CC(C1=CC=CC=C1)C(N)C(O)=O AK-36440 [0,1,0,0,0,0|0,0,0]=1 85 B13R1.202 C1=C(C(=CC=C1)Cl)CC(C(O)=O)N AK-59197 [0,1,0,0,0,0|0,0,0]=1 86 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(O)=O AK-44107 [0,1,0,0,0,0|0,0,0]=1 87 B13R1.202 O=C(O)C(N)CC1=CC=CC=C1Br AK-80271 [0,1,0,0,0,0|0,0,0]=1 88 B13R1.202 O=C(O)C(N)CC1=CC=CC=C1C AK-89321 [0,1,0,0,0,0|0,0,0]=1 89 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Br AK-89325 [0,1,0,0,0,0|0,0,0]=1 90 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Cl AK109418 [0,1,0,0,0,0|0,0,0]=1 91 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1O AK172674 [0,1,0,0,0,0|0,0,0]=1 92 B13R1.202 O=C(O)[C@H](N)CC1=CC=CC=C1Br AK-95498 [0,1,0,0,0,0|0,0,0]=1 93 B13R1.202 O=C(O)[C@H](N)CC1=CC=CC=C1C AK109372 [0,1,0,0,0,0|0,0,0]=1 94 B13R1.202 [C@@H](N)(CC1=C(F)C=CC=C1)C(O)=O AK-26481 [0,1,0,0,0,0|0,0,0]=1 95 B13R1.202 [C@H](N)(CC1=C(F)C=CC=C1)C(O)=O AK-81279 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O AK-40093 [0,1,0,0,0,0|0,0,0]=1 97 B13R1.1073 CC(OC1=CC=CC=C1)(C)C(O)=O AK-96821 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.1073 O=C(O)C(C)(C)CC1=CC=CC=C1 AK-86266 [0,1,0,0,0,0|1,0,0]=2 99 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O AK-96652 [0,0,0,1,0,0|1,0,2]=4 100 B13R2.369 O=C1NC2=C(C=CC=C2)CC1N AK-27578 [0,0,0,1,0,0|1,0,0]=2 101 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,0,0,1,0,0|2,0,0]=3 102 B13R2.423 O=C(C1C(C2=NC=CC=C2)C1)O AK155239 [0,0,0,1,0,0|2,0,0]=3 103 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,0,0,1,0,0|1,0,0]=2 104 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,0,0,1,0,0|1,0,0]=2 105 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,0,0,1,0,0|1,0,0]=2 106 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [0,0,0,1,0,0|1,0,2]=4 107 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [0,0,0,1,0,0|1,0,1]=3 108 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O AK106395 [0,0,0,1,0,0|2,0,1]=4 109 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 AK-89515 [0,0,0,1,0,0|2,0,1]=4 110 B13R2.435 O=C(C1=CC2=NC=CC=C2N1)O AK-68312 [0,0,0,1,0,0|1,0,2]=4 111 B13R2.435 O=C(C1NC2=C(C=CC=C2)C1)O AK-57170 [0,0,0,1,0,0|0,0,0]=1 112 B13R2.435 O=C(C1OC2=CC=CC=C2C1)O AK-30285 [0,0,0,1,0,0|1,0,0]=2 113 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,0,0,1,0,0|1,0,2]=4 114 B13R2.435 O=C(C=1NC2=C(C1)C=NC=C2)O AK-49014 [0,0,0,1,0,0|1,0,2]=4 115 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [0,0,0,1,0,0|0,0,2]=3 116 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [0,0,0,1,0,0|1,0,2]=4 117 B13R2.435 S1C2=C(N=C1C(=O)O)C=CC=C2 AK-40963 [0,0,0,1,0,0|1,0,2]=4 118 B13R2.435 [NH]1C2=NC=CC=C2C=C1C(=O)O AK-27984 [0,0,0,1,0,0|1,0,2]=4 119 B11R1.35 N[C@@H](CC1=CNC=N1)C(O)=O AK-81267 [0,0,0,0,1,0|2,0,0]=3 120 B11R1.35 O=C(O)C(N)CC1=CN=CS1 AK683578 [0,0,0,0,1,0|2,0,0]=3 121 B11R1.35 O=C(O)[C@@H](N)CC1=CC=CS1 AK-91723 [0,0,0,0,1,0|1,0,0]=2 122 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 AK114060 [0,0,0,0,1,0|2,0,0]=3 123 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 AK544994 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.35 O=C(O)[C@H](N)CC1=CC=CO1 AK112811 [0,0,0,0,1,0|1,0,0]=2 125 B11R1.35 O=C(O)[C@H](N)CC1=CNC=N1 AK-54076 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,0,0,0,1,0|1,0,0]=2 127 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,0,0,0,1,0|1,0,0]=2 128 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,0,0,0,1,0|1,0,0]=2 129 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,0,0,0,1,0|2,0,1]=4 130 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,0,0,0,1,0|2,0,1]=4 131 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,0,0,0,1,0|2,0,1]=4 132 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,0,0,0,1,0|1,0,0]=2 133 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,0,0,0,1,0|1,0,1]=3 134 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,0,0,0,1,0|1,0,0]=2 135 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,0,0,0,1,0|1,0,1]=3 136 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,0,0,0,1,0|1,0,0]=2 137 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,0,0,0,1,0|1,0,0]=2 138 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,0,0,0,1,0|1,0,0]=2 140 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,0,0,0,1,0|1,0,0]=2 141 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,0,0,0,1,0|0,0,0]=1 142 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,0,0,0,1,0|0,0,0]=1 143 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,0,0,0,1,0|0,0,0]=1 144 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,0,0,0,1,0|0,0,0]=1 145 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,0,0,0,1,0|1,0,0]=2 146 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,0,0,0,1,0|1,0,0]=2 147 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-44152 [0,0,0,0,0,1|0,0,0]=1 148 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-77790 [0,0,0,0,0,1|0,0,0]=1 149 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,0,0,0,0,1|1,0,1]=3 150 B13R1.351 O=C(O)C(N)CCC1=CC=CC=C1 AK-80198 [0,0,0,0,0,1|0,0,0]=1 151 B13R1.351 O=C(O)[C@@H](N)CCC1=CC=CC=C1 AK-47396 [0,0,0,0,0,1|0,0,0]=1 152 B13R1.351 O=C(O)[C@H](N)CCC1=CC=CC=C1 AK-44092 [0,0,0,0,0,1|0,0,0]=1 153 B13R1.351 [C@H](O)(C(=O)O)CCC1=CC=CC=C1 AK-34569 [0,0,0,0,0,1|1,0,0]=2 154 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [2,0,0,0,0,0|0,0,2]=4 155 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|0,0,0]=2 158 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|0,0,2]=4 161 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|0,0,1]=3 162 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [2,0,0,0,0,0|0,0,1]=3 166 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [2,0,0,0,0,0|1,0,1]=4 167 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [1,1,0,0,0,0|0,0,1]=3 168 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 AK158851 [1,1,0,0,0,0|0,0,1]=3 169 B12R1.50 OC[C@@H](N)CC1=CC=CC(Cl)=C1 AK191230 [1,1,0,0,0,0|0,0,1]=3 170 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [1,1,0,0,0,0|0,0,1]=3 171 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [1,1,0,0,0,0|0,0,1]=3 172 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [1,1,0,0,0,0|0,0,1]=3 173 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [1,1,0,0,0,0|0,0,2]=4 174 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [1,1,0,0,0,0|0,0,0]=2 175 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [1,1,0,0,0,0|0,0,2]=4 177 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [1,1,0,0,0,0|0,0,0]=2 178 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [1,1,0,0,0,0|0,0,0]=2 179 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [1,1,0,0,0,0|0,0,2]=4 185 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [1,1,0,0,0,0|0,0,2]=4 186 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [1,1,0,0,0,0|0,0,0]=2 197 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [1,1,0,0,0,0|0,0,0]=2 201 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.107 O=C(O)CN(C)C1=NC=CC=C1 AK132907 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [1,1,0,0,0,0|0,0,0]=2 204 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [1,1,0,0,0,0|0,0,0]=2 205 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [1,1,0,0,0,0|0,0,0]=2 206 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [1,1,0,0,0,0|0,0,0]=2 209 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [1,1,0,0,0,0|0,0,0]=2 211 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [1,1,0,0,0,0|0,0,0]=2 212 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [1,1,0,0,0,0|0,0,2]=4 214 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [1,1,0,0,0,0|0,0,0]=2 215 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [1,1,0,0,0,0|0,0,0]=2 216 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [1,1,0,0,0,0|0,0,0]=2 217 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [1,1,0,0,0,0|0,0,0]=2 218 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [1,1,0,0,0,0|0,0,0]=2 219 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [1,1,0,0,0,0|0,0,2]=4 220 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [1,1,0,0,0,0|0,0,2]=4 221 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [1,1,0,0,0,0|0,0,2]=4 222 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [1,1,0,0,0,0|1,0,0]=3 223 B12R1.891 C1(=CC=CC=C1)CC[S](=O)(=O)Cl AK-73134 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.104 O=C(O)[C@@H](N)CC1=CC=C(Br)S1 AK114773 [0,1,0,0,1,0|1,0,0]=3 225 B12R1.104 O=C(O)[C@H](N)CC1=CC=C(Br)S1 AK114810 [0,1,0,0,1,0|1,0,0]=3 226 B12R1.108 N[C@@H](CC1=CNC=N1)C(OC)=O AK-50080 [0,1,0,0,1,0|2,0,0]=4 227 B12R1.20 CC(C1=CC=C(C)C=C1)C(O)=O AK-36931 [0,1,0,0,1,0|1,0,0]=3 228 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br AK-36176 [0,1,0,0,1,0|0,0,0]=2 229 B12R1.20 NC(C(O)=O)C1=CC=C(O)C=C1 AK-44146 [0,1,0,0,1,0|0,0,0]=2 230 B12R1.20 O=C(O)C(N)C1=CC=C(C)C=C1 AK-44517 [0,1,0,0,1,0|0,0,0]=2 231 B12R1.20 O=C(O)C(N)C1=CC=C(Cl)C=C1 AK-47447 [0,1,0,0,1,0|0,0,0]=2 232 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AK-88708 [0,1,0,0,1,0|1,0,0]=3 233 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(Cl)C=C1 AK-45149 [0,1,0,0,1,0|0,0,0]=2 234 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(F)C=C1 AK-33958 [0,1,0,0,1,0|0,0,0]=2 235 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(O)C=C1 AK-28583 [0,1,0,0,1,0|0,0,0]=2 236 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O AK-87117 [0,1,0,0,1,0|1,0,0]=3 237 B12R1.20 O=C(O)[C@H](N)C1=CC=C(Cl)C=C1 AK-44673 [0,1,0,0,1,0|0,0,0]=2 238 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-45454 [0,1,0,0,1,0|0,0,0]=2 239 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-50779 [0,1,0,0,1,0|0,0,0]=2 240 B12R1.20 O=C(O)[C@H](N)C1=CC=C(N)C=C1 AK484894 [0,1,0,0,1,0|0,0,0]=2 241 B12R1.20 O=C(O)[C@H](N)C1=CC=C(O)C=C1 AK-76523 [0,1,0,0,1,0|0,0,0]=2 242 B12R1.20 OC(C([O-])=O)C1=CC=C(O)C=C1 AK104635 [0,1,0,0,1,0|1,0,1]=4 243 B12R1.124 C1=C(C(C(O)=O)O)C(=CC=C1)Cl AK-46625 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.124 CC(C1=CC=CC=C1Cl)C(O)=O AK-45775 [0,1,0,0,1,0|1,0,0]=3 245 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl AK-87599 [0,1,0,0,1,0|1,0,0]=3 246 B12R1.124 O=C(O)C(N)C1=CC=CC=C1Cl AK-42317 [0,1,0,0,1,0|0,0,0]=2 247 B12R1.124 O=C(O)C(N)C1=CC=CC=C1O AK-72570 [0,1,0,0,1,0|0,0,0]=2 248 B12R1.124 O=C(O)[C@H](C1=CC=CC=C1Cl)O AK-81923 [0,1,0,0,1,0|1,0,0]=3 249 B12R1.124 O=C(O)[C@H](N)C1=CC=CC=C1O AK199193 [0,1,0,0,1,0|0,0,0]=2 250 B12R1.124 OC(=O)C(=O)C1=CC=CC=C1Br AK102568 [0,1,0,0,1,0|1,0,1]=4 251 B12R1.225 CC(C(O)=O)C1=CC=CC(Cl)=C1 AK-59290 [0,1,0,0,1,0|1,0,0]=3 252 B12R1.225 O=C(O)C(C1=CC=CC(Br)=C1)=O AK143405 [0,1,0,0,1,0|1,0,1]=4 253 B12R1.225 O=C(O)C(N)C1=CC=CC(Br)=C1 AK-94158 [0,1,0,0,1,0|0,0,0]=2 254 B12R1.225 O=C(O)C(N)C1=CC=CC(Cl)=C1 AK-45445 [0,1,0,0,1,0|0,0,0]=2 255 B12R1.225 O=C(O)C(N)C1=CC=CC(N)=C1 AK158805 [0,1,0,0,1,0|0,0,0]=2 256 B12R1.225 O=C(O)[C@H](N)C1=CC=CC(Cl)=C1 AK167541 [0,1,0,0,1,0|0,0,0]=2 257 B12R1.253 CC(C1=CC=CC=C1)(C)C(O)=O AK-36476 [0,1,0,0,1,0|1,0,0]=3 258 B12R1.478 NC(=O)C(C#N)C1=CC=CC=C1 AK-95370 [0,1,0,0,1,0|1,0,1]=4 259 B12R1.478 O=C(O)C(C1=CC=CC=C1)CO AK-90070 [0,1,0,0,1,0|1,0,0]=3 260 B14R1.337 O=C(O)C[C@H](N)CC1=CC=CC=C1C AK341933 [0,1,0,0,0,1|0,0,0]=2 261 B14R1.425 [C@@H](N)(CC1=CC=CC=C1)[C@H](O)C(O)=O AK-44017 [0,1,0,0,0,1|0,0,0]=2 262 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AK-78922 [0,1,0,0,0,1|1,0,1]=4 263 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK114880 [0,1,0,0,0,1|0,0,0]=2 264 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK341934 [0,1,0,0,0,1|0,0,0]=2 265 B14R1.4194 O=C(O)[C@H](NCC1=CC=CC=C1)CO AK112844 [0,1,0,0,0,1|1,0,0]=3 266 B14R1.3 CC(OC1=CC=C(OC)C=C1)C(O)=O AK-88556 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(C#N)C=C1 AK-63293 [0,2,0,0,0,0|0,0,0]=2 268 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(C=C)C=C1 AK172743 [0,2,0,0,0,0|0,0,0]=2 269 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(OC)C=C1 AK-46463 [0,2,0,0,0,0|0,0,0]=2 270 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(OC)C=C1 AK141180 [0,2,0,0,0,0|0,0,0]=2 271 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-44175 [0,2,0,0,0,0|0,0,0]=2 272 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-49703 [0,2,0,0,0,0|0,0,0]=2 273 B14R1.134 N[C@H](CC1=CC=C(Cl)C=C1)C(OC)=O AK-49701 [0,2,0,0,0,0|0,0,0]=2 274 B14R1.134 O=C(OC)C(N)CC1=CC=C(O)C=C1 AK115635 [0,2,0,0,0,0|0,0,0]=2 275 B14R1.134 O=C(OC)[C@@H](N)CC1=CC=C(Br)C=C1 AK117108 [0,2,0,0,0,0|0,0,0]=2 276 B14R1.134 O=C(OC)[C@@H](N)CC1=NC=C(C)C=C1 AK172764 [0,2,0,0,0,0|1,0,0]=3 277 B14R1.134 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OC AK-49737 [0,2,0,0,0,0|0,0,0]=2 278 B14R1.686 C1=CC(=C(C=C1C[C@H](C(=O)O)N)Cl)Cl AK-73133 [0,2,0,0,0,0|0,0,0]=2 279 B14R1.686 NC(CC1=CC(Br)=C(O)C=C1)C(O)=O AK109449 [0,2,0,0,0,0|0,0,0]=2 280 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(F)C(F)=C1 AK106117 [0,2,0,0,0,0|0,0,0]=2 281 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(Cl)=C1 AK-50086 [0,2,0,0,0,0|0,0,0]=2 282 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(I)=C1 AK-86417 [0,2,0,0,0,0|0,0,0]=2 283 B14R1.686 O=C(O)[C@H](N)CC1=CC=C(O)C(I)=C1 AK167399 [0,2,0,0,0,0|0,0,0]=2 284 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 AK119798 [0,2,0,0,0,0|1,0,0]=3 285 B14R1.686 O=C([O-])C(O)CC1=CC=C(O)C(O)=C1 AK310631 [0,2,0,0,0,0|1,0,1]=4 286 B14R1.686 [C@@H](N)(C(O)=O)CC1=CC(=C(C=C1)Cl)Cl AK-73069 [0,2,0,0,0,0|0,0,0]=2 287 B14R1.686 [C@H](N)(CC1=CC(Br)=C(O)C=C1)C(O)=O AK-82171 [0,2,0,0,0,0|0,0,0]=2 288 B14R1.6049 ClC1=C(C[C@@H](N)C(=O)O)C=CC(=C1)Cl AK-25306 [0,2,0,0,0,0|0,0,0]=2 289 B14R1.6049 NC(CC1=CC=C(F)C=C1F)C(O)=O AK-87820 [0,2,0,0,0,0|0,0,0]=2 290 B14R1.6049 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1F AK110930 [0,2,0,0,0,0|0,0,0]=2 291 B14R1.6049 O=C(O)[C@@H](N)CC1=CC=C(F)N=C1F AK668448 [0,2,0,0,0,0|1,0,0]=3 292 B14R1.6049 O=C(O)[C@H](N)CC1=CC=C(F)C=C1F AK-87819 [0,2,0,0,0,0|0,0,0]=2 293 B14R1.7626 O=C(O)C(C)(N)CC1=CC=C(O)C=C1 AK129847 [0,2,0,0,0,0|0,0,0]=2 294 B14R1.60 N[C@@H](CC1=CC=CC=C1)C(OCC)=O AK-46035 [0,2,0,0,0,0|0,0,0]=2 295 B14R1.60 O=C(OCC)C(N)CC1=CC=CC=C1 AK544810 [0,2,0,0,0,0|0,0,0]=2 296 B14R1.85 COC([C@@H]([C@@H](N)C1=CC=CC=C1)O)=O AK-25364 [0,2,0,0,0,0|1,0,0]=3 297 B14R1.135 O=C(OC)C(O)CC1=CC=CC(O)=C1 AK187423 [0,2,0,0,0,0|1,0,0]=3 298 B14R1.135 O=C(OC)[C@@H](N)CC1=CC=CC(O)=C1 AK130675 [0,2,0,0,0,0|0,0,0]=2 299 B14R1.1031 [C@@H](CC1=CC=CC=C1)(NC)C(=O)OC AK-88953 [0,2,0,0,0,0|0,0,0]=2 300 B14R1.1107 O=C(OC)C(C)(N)CC1=CC=CC=C1 AK162596 [0,2,0,0,0,0|0,0,0]=2 301 B14R1.75 N[C@@H](CC1=CC=CC(C#N)=C1)C(O)=O AK-23907 [0,2,0,0,0,0|0,0,0]=2 302 B14R1.75 N[C@H](CC1=CC=CC(OC)=C1)C(O)=O AK-41418 [0,2,0,0,0,0|0,0,0]=2 303 B14R1.75 O=C(O)[C@@H](N)CC1=CC=CC(OC)=C1 AK-41641 [0,2,0,0,0,0|0,0,0]=2 304 B14R1.75 O=C(O)[C@H](N)CC1=CC=CC(C#N)=C1 AK109494 [0,2,0,0,0,0|0,0,0]=2 305 B14R1.153 O=C(O)[C@@H](N)CC1=CC=CC(F)=C1F AK110929 [0,2,0,0,0,0|0,0,0]=2 306 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(O)=O AK-34674 [0,2,0,0,0,0|0,0,0]=2 307 B14R1.4257 N[C@@H](CC1=CC(F)=CC(F)=C1)C(O)=O AK-34622 [0,2,0,0,0,0|0,0,0]=2 308 B14R1.4257 O=C(O)[C@@H](N)CC1=CC(Cl)=CC(Cl)=C1 AK-59095 [0,2,0,0,0,0|0,0,0]=2 309 B14R1.3135 O=C(O)C(N)CC1=CC=CC=C1OC AK-87840 [0,2,0,0,0,0|0,0,0]=2 310 B14R1.4513 O=C(O)[C@@H](N(C)C)CC1=CC=CC=C1 AK-62987 [0,2,0,0,0,0|0,0,0]=2 311 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [1,0,0,1,0,0|1,0,1]=4 312 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [1,0,0,1,0,0|1,0,1]=4 313 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AK-78514 [1,0,0,1,0,0|1,0,1]=4 314 B12R2.24 NC1CNC2=CC=CC=C2C1 AK-68575 [1,0,0,1,0,0|1,0,1]=4 315 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [1,0,0,1,0,0|1,0,1]=4 316 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [1,0,0,1,0,0|1,0,1]=4 317 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [1,0,0,1,0,0|1,0,1]=4 318 B12R2.32 O=CC1=NC2=CC=CC=C2N1 AK-25780 [1,0,0,1,0,0|1,0,1]=4 319 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [1,0,0,1,0,0|1,0,1]=4 320 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,0,0,1,0,1|1,0,0]=3 321 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,0,0,1,0,1|1,0,0]=3 322 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,0,0,1,0,1|1,0,0]=3 323 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,0,0,1,0,1|1,0,0]=3 324 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 AK-33165 [0,0,0,1,0,1|1,0,1]=4 325 B14R2.768 OC(=O)CC1CC2=CC=CC=C2C1 AK-90079 [0,0,0,1,0,1|1,0,0]=3 326 B14R2.768 [NH]1C2=CC=CC=C2C=C1CC(=O)O AK-46211 [0,0,0,1,0,1|0,0,2]=4 327 B14R2.741 O=C1C(Br)CCC2=CC=CC=C2N1 AK-23679 [0,0,0,1,0,1|2,0,0]=4 328 B14R2.781 O=C(C1CNC2=C(C=CC=C2)C1)O AK134934 [0,0,0,1,0,1|1,0,0]=3 329 B14R2.781 O=C(C1OC2=CC=CC=C2OC1)O AK-34764 [0,0,0,1,0,1|1,0,0]=3 330 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CC1 AK-35532 [0,0,0,1,0,1|1,0,0]=3 331 B14R2.781 O=C([C@H]1NCC2=C(C=CC=C2)C1)O AK-29492 [0,0,0,1,0,1|1,0,0]=3 332 B14R2.781 OC(=O)C1CC2=C(CN1)C=CC=C2 AK-75943 [0,0,0,1,0,1|1,0,0]=3 333 B14R2.781 OC(=O)C1CCC2=CC=CC=C2O1 AK-44050 [0,0,0,1,0,1|1,0,0]=3 334 B14R2.781 OC(=O)[C@H]1CC2=C(CN1)C=CC=C2 AK-32708 [0,0,0,1,0,1|1,0,0]=3 335 B14R2.781 [C@@H]1(NCC2=CC=CC=C2C1)C(=O)O AK-25831 [0,0,0,1,0,1|1,0,0]=3 336 B14R2.4402 O=C(C1C(C2=CC=C(Cl)C=C2)C1)O AK122406 [0,1,0,1,0,0|1,0,0]=3 337 B14R2.4402 OC(=O)C1CC1C2=CC=C(Br)C=C2 AK-51693 [0,1,0,1,0,0|1,0,0]=3 338 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Br)O AK-36225 [0,1,0,1,0,0|0,0,2]=4 339 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O AK-40726 [0,1,0,1,0,0|0,0,2]=4 340 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Cl)O AK-28711 [0,1,0,1,0,0|0,0,2]=4 341 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)Br)O AK-27258 [0,1,0,1,0,0|0,0,2]=4 342 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)C)O AK-77187 [0,1,0,1,0,0|0,0,2]=4 343 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)F)O AK-34615 [0,1,0,1,0,0|0,0,2]=4 344 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O AK-44665 [0,1,0,1,0,0|0,0,2]=4 345 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC AK-86776 [0,1,0,1,0,0|1,0,1]=4 346 B14R2.972 O=C(C=1NC2=C(C1)C=CC=C2)OC AK-81488 [0,1,0,1,0,0|0,0,2]=4 347 B14R2.4476 O=C(C1C(C2=CC=CC(Cl)=C2)C1)O AK167718 [0,1,0,1,0,0|1,0,0]=3 348 B14R2.7969 BrC1=C2[NH]C(=CC2=CC=C1)C(=O)O AK-23872 [0,1,0,1,0,0|0,0,2]=4 349 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)Br)O AK-23743 [0,1,0,1,0,0|0,0,2]=4 350 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)C)O AK-33829 [0,1,0,1,0,0|0,0,2]=4 351 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O AK-35026 [0,1,0,1,0,0|0,0,2]=4 352 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O AK-35025 [0,1,0,1,0,0|0,0,2]=4 353 B14R2.450 C1=CC=CC2=C1[N](C)C(=C2)C(O)=O AK-29896 [0,1,0,1,0,0|0,0,2]=4 354 B14R2.450 CN1C(=NC2=C1C=CC=C2)C(O)=O AK-34031 [0,1,0,1,0,0|1,0,1]=4 355 B14R2.5443 O=C(C1C(C2=CC=CC=C2Cl)C1)O AK167717 [0,1,0,1,0,0|1,0,0]=3 356 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,0,0,0,1,0|2,0,0]=4 357 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,0,0,0,1,0|0,0,1]=3 358 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,0,0,0,1,0|2,0,0]=4 359 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,0,0,0,1,0|1,0,1]=4 360 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,0,0,0,1,0|0,0,1]=3 361 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,0,0,0,1,0|1,0,1]=4 362 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,0,0,0,1,0|1,0,1]=4 363 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,0,0,0,1,0|0,0,1]=3 364 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [1,0,0,0,1,0|1,0,0]=3 365 B10R1.66 O=C(O)CCC1=NC=CN1 AK-33774 [1,0,0,0,1,0|2,0,0]=4 366 B10R1.23 NC(C(O)=O)C1=CSC=C1 AK-34933 [0,0,0,0,2,0|1,0,0]=3 367 B10R1.23 O=C(O)[C@@H](N)C1=CSC=C1 AK117277 [0,0,0,0,2,0|1,0,0]=3 368 B10R1.23 O=C(O)[C@H](N)C1=CC=CS1 AK162653 [0,0,0,0,2,0|1,0,0]=3 369 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [1,0,0,0,0,1|1,0,0]=3 370 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [1,0,0,0,0,1|0,0,0]=2 371 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [1,0,0,0,0,1|1,0,0]=3 372 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [1,0,0,0,0,1|0,0,0]=2 373 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [1,0,0,0,0,1|0,0,0]=2 374 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [1,0,0,0,0,1|0,0,1]=3 375 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [1,0,0,0,0,1|0,0,0]=2 376 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [1,0,0,0,0,1|0,0,0]=2 377 B14R1.423 O=C(O)CNC(CC1=CC=CC=C1)=O AK135274 [0,0,0,0,0,2|1,0,1]=4 378 B14R1.6449 NC(CCCC1=CC=CC=C1)C(O)=O AK-89432 [0,0,0,0,0,2|0,0,0]=2 379 B14R1.6449 O=C(O)C(N)COCC1=CC=CC=C1 AK-93999 [0,0,0,0,0,2|0,0,0]=2 380 B14R1.6449 O=C(O)[C@@H](N)CCCC1=CC=CC=C1 AK114991 [0,0,0,0,0,2|0,0,0]=2 381 B14R1.6449 O=C(O)[C@@H](N)COCC1=CC=CC=C1 AK-77303 [0,0,0,0,0,2|0,0,0]=2 382 B14R1.6449 O=C(O)[C@@H](N)COCC1=CC=CC=C1 AK544805 [0,0,0,0,0,2|0,0,0]=2 383 B14R1.6449 O=C(O)[C@H](N)CSCC1=CC=CC=C1 AK-81245 [0,0,0,0,0,2|0,0,0]=2