0 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.43 C[C@H](SC1=NC=CC=C1)C(=O)O W18318 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.43 O=C(O)[C@@H](O)CC1=CN=CC=C1 AT17758 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [1,0,0,0,0,0|0,0,1]=2 13 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 NC(=O)CCC1=NC=NC=C1 F13616 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.133 CC(C)[C@@H](N)CC1=CC=C(Cl)C=C1 N12824 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.133 CC(C)[C@@H](N)CC1=CC=C(F)C=C1 N12963 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.133 CC1=CC=C(C[C@H](N)C(C)C)C=C1 N14553 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.133 CC1=CC=C(N[C@@H](F)C(=O)O)C=C1 98130 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.133 C[C@H](OC1=CC=C(Br)C=C1)C(=O)O A50593 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12225 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 57696 [0,1,0,0,0,0|1,0,1]=3 31 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 AC3378 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.133 [15NH2][C@@H](CC1=CC=C(O)C=C1)C(=O)O 41413 [0,1,0,0,0,0|0,0,0]=1 33 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl A10304 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN F21047 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12610 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 P69950 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(Br)=C1 N14534 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(Cl)=C1 N14530 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(F)=C1 N14523 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 N14313 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.148 C[C@@H](CC1=CC=CC(Br)=C1)C(=O)O 91423 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y11481 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,1,0,0,0,0|1,0,1]=3 44 B13R1.148 O=C(O)C(=O)CC1=CC=CC(F)=C1 C91152 [0,1,0,0,0,0|1,0,1]=3 45 B13R1.148 O=C(O)[C@@H](O)CC1=CC(O)=CC=C1 AC5897 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(Br)=C1 AC5087 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 AC5720 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.152 CC(C(=O)O)S(=O)C1=CC=CC=C1 E72366 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 H11503 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O F12982 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.202 CC(C)[C@@H](N)CC1=C(Br)C=CC=C1 N14509 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.202 CC(C)[C@@H](N)CC1=C(Cl)C=CC=C1 N14498 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.202 CC(C)[C@@H](N)CC1=C(F)C=CC=C1 N14504 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.202 CC1=C(C[C@H](N)C(C)C)C=CC=C1 N14515 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.202 C[C@H](OC1=C(F)C=CC=C1)C(=O)O C77967 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51256 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51262 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51268 [0,1,0,0,0,0|0,0,0]=1 59 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O N12180 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.202 O=C(O)C(=O)CC1=C(Br)C=CC=C1 C91159 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.202 [2H]C1=C(C[C@H](N)C(=O)O)C=CC=C1 D97891 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.353 N[C@@H](CC1=CC=CC=C1)C(F)(F)F AT14523 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.353 N[C@@H](CC1=CC=CC=C1)C(F)(F)F AT14524 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.418 CN(C)[C@H](CN)CC1=CC=CC=C1 89711 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.418 CN(C)[C@H](CN)CC1=CC=CC=C1 89712 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O F10940 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.418 N#C[C@@H](CC1=CN=CC=C1)C(=O)O AC2857 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.418 N#C[C@@H](CC1=NC=CC=C1)C(=O)O AC2854 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 29553 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87874 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.1073 [2H]C([2H])(CC1=CC=CC=C1)C(=O)O D98699 [0,1,0,0,0,0|1,0,0]=2 72 B13R2.27 O=C1CCN1CC2=CC=CC=C2 68650 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [0,0,0,1,0,0|1,0,0]=2 76 B13R2.369 N[C@H]1CC2=C(C=CC=N2)NC1=O C13580 [0,0,0,1,0,0|2,0,0]=3 77 B13R2.369 N[C@H]1CC2=C(C=CN=C2)NC1=O C13586 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.423 O=C(O)C1CC1C2=NN=CC=C2 C93038 [0,0,0,1,0,0|3,0,0]=4 79 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [0,0,0,1,0,0|1,0,0]=2 80 B13R2.423 O=[N+]([O-])[C@H]1CC1C2=CC=CC=C2 P14853 [0,0,0,1,0,0|2,0,1]=4 81 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [0,0,0,1,0,0|1,0,2]=4 82 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 C73379 [0,0,0,1,0,0|1,0,0]=2 83 B11R1.35 C[C@@H](CC1=CC=CO1)C(=O)O W18641 [0,0,0,0,1,0|2,0,0]=3 84 B11R1.35 NC(=O)[C@@H](N)CC1=CNC=N1 W10599 [0,0,0,0,1,0|3,0,0]=4 85 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50248 [0,0,0,0,1,0|1,0,0]=2 86 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67399 [0,0,0,0,1,0|2,0,0]=3 87 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67406 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50228 [0,0,0,0,1,0|1,0,0]=2 89 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50247 [0,0,0,0,1,0|1,0,0]=2 90 B11R1.35 N[C@@H](CC1=NC=CS1)C(=O)O N13108 [0,0,0,0,1,0|2,0,0]=3 91 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 51851 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O AC5797 [0,0,0,0,1,0|2,0,0]=3 93 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 C14801 [0,0,0,0,1,0|3,0,0]=4 94 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,0,0,0,1,0|3,0,0]=4 95 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,0,0,0,1,0|1,0,0]=2 96 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,0,0,0,1,0|1,0,1]=3 97 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,0,0,0,1,0|1,0,1]=3 98 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,0,0,0,1,0|1,0,1]=3 99 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,0,0,0,1,0|1,0,1]=3 100 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,0,0,0,1,0|1,0,1]=3 101 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT10021 [0,0,0,0,1,0|1,0,0]=2 102 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 F15634 [0,0,0,0,1,0|1,0,0]=2 103 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,0,0,0,1,0|1,0,0]=2 104 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,0,0,0,1,0|1,0,0]=2 105 B11R1.36 N[C@@H](C(=O)O)C1=NC=CN=C1 66504 [0,0,0,0,1,0|2,0,0]=3 106 B11R1.36 N[C@H](C1=CC=CC=C1)C(F)F 94363 [0,0,0,0,1,0|2,0,1]=4 107 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53133 [0,0,0,0,0,1|3,0,0]=4 108 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 AT22332 [0,0,0,0,0,1|3,0,0]=4 109 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78125 [0,0,0,0,0,1|3,0,0]=4 110 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 C14931 [0,0,0,0,0,1|2,0,1]=4 111 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 AT12827 [0,0,0,0,0,1|2,0,1]=4 112 B13R1.351 C[C@H](O)[C@H](C)OCC1=CC=CC=C1 P19299 [0,0,0,0,0,1|2,0,1]=4 113 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C12171 [0,0,0,0,0,1|1,0,0]=2 114 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O C16268 [0,0,0,0,0,1|0,0,0]=1 115 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.17 NOCCC1=CC=CC=C1 C10179 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [2,0,0,0,0,0|1,0,1]=4 122 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [2,0,0,0,0,0|2,0,0]=4 127 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 23172 [1,1,0,0,0,0|0,0,1]=3 129 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AT23147 [1,1,0,0,0,0|0,0,1]=3 130 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [1,1,0,0,0,0|0,0,1]=3 131 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [1,1,0,0,0,0|0,0,1]=3 132 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.49 CC[C@H](N)CC1=CC=C(Cl)C=C1 N14547 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.49 CC[C@H](N)CC1=CC=C(F)C=C1 N14543 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.49 CC[C@H](N)CC1=CC=C(I)C=C1 85182 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11240 [1,1,0,0,0,0|0,0,1]=3 138 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78517 [1,1,0,0,0,0|0,0,1]=3 139 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 AT10694 [1,1,0,0,0,0|0,0,1]=3 140 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 C78160 [1,1,0,0,0,0|0,0,1]=3 141 B12R1.49 N[C@H](CO)CC1=CC=C(I)C=C1 85183 [1,1,0,0,0,0|0,0,1]=3 142 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [1,1,0,0,0,0|0,0,1]=3 143 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78461 [1,1,0,0,0,0|0,0,1]=3 144 B12R1.50 CC[C@H](N)CC1=CC(C)=CC=C1 N14536 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.50 CC[C@H](N)CC1=CC=CC(Br)=C1 N14532 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.50 CC[C@H](N)CC1=CC=CC(Cl)=C1 N14527 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78100 [1,1,0,0,0,0|0,0,1]=3 149 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78242 [1,1,0,0,0,0|0,0,1]=3 150 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 Y11238 [1,1,0,0,0,0|0,0,1]=3 151 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11307 [1,1,0,0,0,0|0,0,1]=3 152 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12975 [1,1,0,0,0,0|0,0,1]=3 153 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 C76076 [1,1,0,0,0,0|0,0,1]=3 154 B12R1.118 NC[C@@H](CO)CC1=CC=NC=C1 C90589 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [1,1,0,0,0,0|0,0,1]=3 156 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [1,1,0,0,0,0|0,0,1]=3 157 B12R1.371 CC[C@H](N)CC1=C(Br)C=CC=C1 N14510 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.371 CC[C@H](N)CC1=C(C)C=CC=C1 N14512 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.371 CC[C@H](N)CC1=C(Cl)C=CC=C1 N14502 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.371 CC[C@H](N)CC1=C(F)C=CC=C1 N14507 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.371 NC[C@@H](N)CC1=C(F)C=CC=C1 N14640 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [1,1,0,0,0,0|0,0,1]=3 163 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [1,1,0,0,0,0|0,0,1]=3 164 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [1,1,0,0,0,0|0,0,1]=3 165 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [1,1,0,0,0,0|0,0,1]=3 166 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [1,1,0,0,0,0|0,0,2]=4 168 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 O10876 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 T70657 [1,1,0,0,0,0|0,0,2]=4 171 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 N12985 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 50989 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.125 O=C(O)CCN1C=CC=CC1=O O10863 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.125 O=C(O)CCN1C=CC=NC1=O AT13856 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 CL8802 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.125 O=C(O)CSC1=C(Br)C=CC=C1 AT20945 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.226 O=C(O)CCC1=CC(Br)=CN=C1 F30870 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 T72496 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.104 CC1=CC=C(C[C@H](N)C(=O)O)S1 AC6731 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.104 CN1C=NC(C[C@H](N)C(=O)O)=C1 FD21681 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.104 N[C@@H](CC1=CC=C(Cl)S1)C(=O)O A50381 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 N12870 [0,1,0,0,1,0|1,0,0]=3 195 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 AC8660 [0,1,0,0,1,0|2,0,0]=4 196 B12R1.108 COC(=O)[C@@H](N)CC1=CSC=C1 N12857 [0,1,0,0,1,0|1,0,0]=3 197 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=C1 A50382 [0,1,0,0,1,0|1,0,0]=3 198 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=N1 AC1519 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O E72306 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O FD21705 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O FD21706 [0,1,0,0,1,0|2,0,0]=4 202 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O FD21704 [0,1,0,0,1,0|2,0,0]=4 203 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Br)C=C1 N15666 [0,1,0,0,1,0|1,0,0]=3 204 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,1,0,0,1,0|1,0,0]=3 205 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N15653 [0,1,0,0,1,0|1,0,0]=3 206 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,1,0,0,1,0|1,0,0]=3 207 B12R1.20 CC(=O)[C@H](N)C1=CC=C(N)C=C1 N16145 [0,1,0,0,1,0|1,0,0]=3 208 B12R1.20 CC(O)C(N)C1=CC=C(Br)C=C1 N15665 [0,1,0,0,1,0|1,0,1]=4 209 B12R1.20 CC(O)C(N)C1=CC=C(Cl)C=C1 N15654 [0,1,0,0,1,0|1,0,1]=4 210 B12R1.20 CC(O)C(N)C1=CC=C(F)C=C1 N15651 [0,1,0,0,1,0|1,0,1]=4 211 B12R1.20 CC(O)C(N)C1=CC=C(N)C=C1 N16144 [0,1,0,0,1,0|1,0,1]=4 212 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,1,0,0,1,0|1,0,1]=4 213 B12R1.20 CC(O)[C@H](N)C1=CC=C(Br)C=C1 N15664 [0,1,0,0,1,0|1,0,1]=4 214 B12R1.20 CC(O)[C@H](N)C1=CC=C(Cl)C=C1 N15655 [0,1,0,0,1,0|1,0,1]=4 215 B12R1.20 CC(O)[C@H](N)C1=CC=C(F)C=C1 N15650 [0,1,0,0,1,0|1,0,1]=4 216 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,1,0,0,1,0|1,0,1]=4 217 B12R1.20 CC1=CC=C(C(N)C(C)O)C=C1 N15701 [0,1,0,0,1,0|1,0,1]=4 218 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [0,1,0,0,1,0|0,0,0]=2 219 B12R1.20 CC1=CC=C([C@@H](N)C(C)O)C=C1 N15702 [0,1,0,0,1,0|1,0,1]=4 220 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15703 [0,1,0,0,1,0|1,0,1]=4 221 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15705 [0,1,0,0,1,0|1,0,1]=4 222 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15704 [0,1,0,0,1,0|1,0,1]=4 223 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [0,1,0,0,1,0|1,0,0]=3 224 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,1,0,0,1,0|2,0,0]=4 225 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15660 [0,1,0,0,1,0|1,0,1]=4 226 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15662 [0,1,0,0,1,0|1,0,1]=4 227 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15657 [0,1,0,0,1,0|1,0,1]=4 228 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15659 [0,1,0,0,1,0|1,0,1]=4 229 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15647 [0,1,0,0,1,0|1,0,1]=4 230 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15649 [0,1,0,0,1,0|1,0,1]=4 231 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16141 [0,1,0,0,1,0|1,0,1]=4 232 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16143 [0,1,0,0,1,0|1,0,1]=4 233 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,1,0,0,1,0|1,0,1]=4 234 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,1,0,0,1,0|1,0,1]=4 235 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15661 [0,1,0,0,1,0|1,0,1]=4 236 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15656 [0,1,0,0,1,0|1,0,1]=4 237 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15648 [0,1,0,0,1,0|1,0,1]=4 238 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(N)C=C1 N16142 [0,1,0,0,1,0|1,0,1]=4 239 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,1,0,0,1,0|1,0,1]=4 240 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,1,0,0,1,0|1,0,0]=3 241 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [0,1,0,0,1,0|0,0,0]=2 242 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [0,1,0,0,1,0|0,0,0]=2 243 B12R1.20 N[C@@H](C(=O)O)C1=CN=C(Br)C=C1 68602 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.20 N[C@@H](C(=O)O)C1=CN=C(Cl)C=C1 69945 [0,1,0,0,1,0|1,0,0]=3 245 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [0,1,0,0,1,0|1,0,0]=3 246 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [0,1,0,0,1,0|1,0,0]=3 247 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [0,1,0,0,1,0|1,0,0]=3 248 B12R1.124 CC(=O)[C@H](N)C1=C(Br)C=CC=C1 N15545 [0,1,0,0,1,0|1,0,0]=3 249 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 N15524 [0,1,0,0,1,0|1,0,0]=3 250 B12R1.124 CC(=O)[C@H](N)C1=C(Cl)C=CC=C1 N15542 [0,1,0,0,1,0|1,0,0]=3 251 B12R1.124 CC(=O)[C@H](N)C1=C(F)C=CC=C1 N15536 [0,1,0,0,1,0|1,0,0]=3 252 B12R1.124 CC(O)C(N)C1=C(Br)C=CC=C1 N15549 [0,1,0,0,1,0|1,0,1]=4 253 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 N15543 [0,1,0,0,1,0|1,0,1]=4 254 B12R1.124 CC(O)C(N)C1=C(F)C=CC=C1 N15535 [0,1,0,0,1,0|1,0,1]=4 255 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 N15626 [0,1,0,0,1,0|1,0,1]=4 256 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 N15541 [0,1,0,0,1,0|1,0,1]=4 257 B12R1.124 CC(O)[C@H](N)C1=C(F)C=CC=C1 N15534 [0,1,0,0,1,0|1,0,1]=4 258 B12R1.124 CC(O)[C@H](N)C1=C(O)C=CC=C1 N15627 [0,1,0,0,1,0|1,0,1]=4 259 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 N15523 [0,1,0,0,1,0|1,0,1]=4 260 B12R1.124 CC1=C([C@@H](C)C(=O)O)C=CN=C1 F53684 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12290 [0,1,0,0,1,0|0,0,0]=2 262 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12294 [0,1,0,0,1,0|0,0,0]=2 263 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 N15525 [0,1,0,0,1,0|1,0,1]=4 264 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15527 [0,1,0,0,1,0|1,0,1]=4 265 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15529 [0,1,0,0,1,0|1,0,1]=4 266 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15526 [0,1,0,0,1,0|1,0,1]=4 267 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15544 [0,1,0,0,1,0|1,0,1]=4 268 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15546 [0,1,0,0,1,0|1,0,1]=4 269 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15537 [0,1,0,0,1,0|1,0,1]=4 270 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15539 [0,1,0,0,1,0|1,0,1]=4 271 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15530 [0,1,0,0,1,0|1,0,1]=4 272 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15532 [0,1,0,0,1,0|1,0,1]=4 273 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16152 [0,1,0,0,1,0|1,0,1]=4 274 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16154 [0,1,0,0,1,0|1,0,1]=4 275 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15629 [0,1,0,0,1,0|1,0,1]=4 276 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15631 [0,1,0,0,1,0|1,0,1]=4 277 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15548 [0,1,0,0,1,0|1,0,1]=4 278 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15538 [0,1,0,0,1,0|1,0,1]=4 279 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15531 [0,1,0,0,1,0|1,0,1]=4 280 B12R1.124 C[C@H](O)[C@H](N)C1=C(N)C=CC=C1 N16153 [0,1,0,0,1,0|1,0,1]=4 281 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15628 [0,1,0,0,1,0|1,0,1]=4 282 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A50300 [0,1,0,0,1,0|0,0,0]=2 283 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 D84116 [0,1,0,0,1,0|0,0,0]=2 284 B12R1.124 O=C(O)[C@H](F)C1=C(F)C=CC=C1 98563 [0,1,0,0,1,0|1,0,0]=3 285 B12R1.124 O=C(O)[C@H](F)C1=CC=CN=C1F 98565 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.225 CC(=O)[C@H](N)C1=CC(N)=CC=C1 N16146 [0,1,0,0,1,0|1,0,0]=3 287 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Br)=C1 N15613 [0,1,0,0,1,0|1,0,0]=3 288 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Cl)=C1 N15638 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(F)=C1 N15639 [0,1,0,0,1,0|1,0,0]=3 290 B12R1.225 CC(O)C(N)C1=CC(N)=CC=C1 N16147 [0,1,0,0,1,0|1,0,1]=4 291 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 N15614 [0,1,0,0,1,0|1,0,1]=4 292 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 N15637 [0,1,0,0,1,0|1,0,1]=4 293 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 N15640 [0,1,0,0,1,0|1,0,1]=4 294 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 N15625 [0,1,0,0,1,0|1,0,1]=4 295 B12R1.225 CC(O)[C@H](N)C1=CC(N)=CC=C1 N16148 [0,1,0,0,1,0|1,0,1]=4 296 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Br)=C1 N15615 [0,1,0,0,1,0|1,0,1]=4 297 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Cl)=C1 N15636 [0,1,0,0,1,0|1,0,1]=4 298 B12R1.225 CC(O)[C@H](N)C1=CC=CC(F)=C1 N15641 [0,1,0,0,1,0|1,0,1]=4 299 B12R1.225 CC(O)[C@H](N)C1=CC=CC(O)=C1 N15624 [0,1,0,0,1,0|1,0,1]=4 300 B12R1.225 CC1=CC=CC([C@@H](F)C(=O)O)=C1 98550 [0,1,0,0,1,0|1,0,0]=3 301 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N12267 [0,1,0,0,1,0|0,0,0]=2 302 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16149 [0,1,0,0,1,0|1,0,1]=4 303 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16151 [0,1,0,0,1,0|1,0,1]=4 304 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15617 [0,1,0,0,1,0|1,0,1]=4 305 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15619 [0,1,0,0,1,0|1,0,1]=4 306 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15632 [0,1,0,0,1,0|1,0,1]=4 307 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15634 [0,1,0,0,1,0|1,0,1]=4 308 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15642 [0,1,0,0,1,0|1,0,1]=4 309 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15644 [0,1,0,0,1,0|1,0,1]=4 310 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15620 [0,1,0,0,1,0|1,0,1]=4 311 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15622 [0,1,0,0,1,0|1,0,1]=4 312 B12R1.225 C[C@H](O)[C@H](N)C1=CC(N)=CC=C1 N16150 [0,1,0,0,1,0|1,0,1]=4 313 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15635 [0,1,0,0,1,0|1,0,1]=4 314 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15643 [0,1,0,0,1,0|1,0,1]=4 315 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15621 [0,1,0,0,1,0|1,0,1]=4 316 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 N10973 [0,1,0,0,1,0|0,0,0]=2 317 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 AC3213 [0,1,0,0,1,0|0,0,0]=2 318 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AC7657 [0,1,0,0,1,0|0,0,0]=2 319 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11689 [0,1,0,0,1,0|0,0,0]=2 320 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Br)=C1 98544 [0,1,0,0,1,0|1,0,0]=3 321 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(F)=C1 98545 [0,1,0,0,1,0|1,0,0]=3 322 B12R1.225 O=C(O)[C@H](O)C1=CC(O)=CC=C1 A12143 [0,1,0,0,1,0|1,0,0]=3 323 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(I)=C1 C90764 [0,1,0,0,1,0|1,0,0]=3 324 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 AT22669 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.253 CC(C)(C(=O)O)C1=CC=NC=C1 F53688 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.253 CC(C)(C(=O)O)C1=CN=CC=C1 AC4673 [0,1,0,0,1,0|2,0,0]=4 327 B12R1.253 CC(C)(C(=O)O)C1=NC=CC=C1 W18314 [0,1,0,0,1,0|2,0,0]=4 328 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 41030 [0,1,0,0,1,0|0,0,0]=2 329 B12R1.253 C[C@](N)(C(=O)O)C1=CC=NC=C1 W15225 [0,1,0,0,1,0|1,0,0]=3 330 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 91032 [0,1,0,0,1,0|1,0,0]=3 331 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86645 [0,1,0,0,1,0|0,0,0]=2 332 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 A50497 [0,1,0,0,1,0|0,0,0]=2 333 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15100 [0,1,0,0,1,0|0,0,0]=2 334 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 AT21614 [0,1,0,0,1,0|1,0,1]=4 335 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 C14174 [0,1,0,0,1,0|1,0,1]=4 336 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 FD10077 [0,1,0,0,0,1|0,0,0]=2 337 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 FD10100 [0,1,0,0,0,1|0,0,0]=2 338 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 FD10305 [0,1,0,0,0,1|0,0,0]=2 339 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 51227 [0,1,0,0,0,1|0,0,0]=2 340 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 FD10068 [0,1,0,0,0,1|0,0,0]=2 341 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 FD10069 [0,1,0,0,0,1|0,0,0]=2 342 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 FD10070 [0,1,0,0,0,1|0,0,0]=2 343 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 FD10101 [0,1,0,0,0,1|0,0,0]=2 344 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 AC6590 [0,1,0,0,0,1|0,0,0]=2 345 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 C15461 [0,1,0,0,0,1|0,0,0]=2 346 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 FD10043 [0,1,0,0,0,1|0,0,0]=2 347 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 FD10047 [0,1,0,0,0,1|0,0,0]=2 348 B14R1.743 COC(=O)C[C@H](N)CC1=CC=CC=C1 F20090 [0,1,0,0,0,1|0,0,0]=2 349 B14R1.5978 CC1=CC=CC(C[C@@H](N)CC(=O)O)=C1 FD10048 [0,1,0,0,0,1|0,0,0]=2 350 B14R1.5978 CC1=CC=CC(C[C@@H](N)CC(=O)O)=C1 FD10051 [0,1,0,0,0,1|0,0,0]=2 351 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 FD10275 [0,1,0,0,0,1|0,0,0]=2 352 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 FD10307 [0,1,0,0,0,1|0,0,0]=2 353 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 FD10054 [0,1,0,0,0,1|0,0,0]=2 354 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 C15460 [0,1,0,0,0,1|0,0,0]=2 355 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 FD10076 [0,1,0,0,0,1|0,0,0]=2 356 B14R1.679 N[C@@H](CCC1=CC=C(Br)C=C1)C(=O)O A50421 [0,1,0,0,0,1|0,0,0]=2 357 B14R1.679 N[C@@H](CCC1=CC=C(Cl)C=C1)C(=O)O A50422 [0,1,0,0,0,1|0,0,0]=2 358 B14R1.679 N[C@@H](CCC1=CC=C(F)C=C1)C(=O)O A50420 [0,1,0,0,0,1|0,0,0]=2 359 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O 78258 [0,1,0,0,0,1|0,0,0]=2 360 B14R1.6395 CC(C)(CCC1=CC=CC=C1)C(=O)O F52131 [0,1,0,0,0,1|1,0,0]=3 361 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50347 [0,2,0,0,0,0|0,0,0]=2 362 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 E71813 [0,2,0,0,0,0|0,0,0]=2 363 B14R1.3 COC1=CC=C(C[C@H](C)C(=O)O)C=C1 D71902 [0,2,0,0,0,0|1,0,0]=3 364 B14R1.3 N#CC1=CC=C(CC(=O)C(=O)O)C=C1 C78222 [0,2,0,0,0,0|1,0,1]=4 365 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(Cl)C=C1 AC9471 [0,2,0,0,0,0|1,0,0]=3 366 B14R1.134 CCC(=O)[C@@H](Br)CC1=CC=C(Br)C=C1 C91131 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 I11820 [0,2,0,0,0,0|0,0,0]=2 368 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 N12858 [0,2,0,0,0,0|0,0,0]=2 369 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 Y11930 [0,2,0,0,0,0|0,0,0]=2 370 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(I)C=C1 N12609 [0,2,0,0,0,0|0,0,0]=2 371 B14R1.134 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)CBr F52454 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.536 CC1=CC=C(C[C@H](C#N)C(=O)O)C=C1 AC6908 [0,2,0,0,0,0|0,0,1]=3 373 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O C15944 [0,2,0,0,0,0|0,0,0]=2 374 B14R1.536 N#C[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O AC6350 [0,2,0,0,0,0|0,0,1]=3 375 B14R1.686 CC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 N14837 [0,2,0,0,0,0|0,0,0]=2 376 B14R1.686 CC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 N14838 [0,2,0,0,0,0|0,0,0]=2 377 B14R1.686 CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14839 [0,2,0,0,0,0|0,0,0]=2 378 B14R1.686 CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14840 [0,2,0,0,0,0|0,0,0]=2 379 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O F15995 [0,2,0,0,0,0|0,0,0]=2 380 B14R1.686 N[C@@H](CC1=CC(O)=C(Cl)C=C1)C(=O)O N14835 [0,2,0,0,0,0|0,0,0]=2 381 B14R1.686 N[C@@H](CC1=CC(O)=C(Cl)C=C1)C(=O)O N14836 [0,2,0,0,0,0|0,0,0]=2 382 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 F15598 [0,2,0,0,0,0|1,0,1]=4 383 B14R1.6049 CC1=C(C[C@H](N)C(=O)O)C=CC(O)=C1 N14842 [0,2,0,0,0,0|0,0,0]=2 384 B14R1.6049 CC1=C(C[C@H](N)C(=O)O)C=CC(O)=C1 N14843 [0,2,0,0,0,0|0,0,0]=2 385 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 D85898 [0,2,0,0,0,0|0,0,0]=2 386 B14R1.6049 CC1=CC(O)=C(C[C@H](N)C(=O)O)C=C1 N14841 [0,2,0,0,0,0|0,0,0]=2 387 B14R1.6049 C[C@H](OC1=C(Cl)C=C(Cl)C=C1)C(=O)O AT13815 [0,2,0,0,0,0|2,0,0]=4 388 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 50517 [0,2,0,0,0,0|0,0,0]=2 389 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O Y14786 [0,2,0,0,0,0|0,0,0]=2 390 B14R1.6049 N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O N12996 [0,2,0,0,0,0|0,0,0]=2 391 B14R1.7626 CC(C)(CC1=CC=C(Br)C=C1)C(=O)O C90965 [0,2,0,0,0,0|1,0,0]=3 392 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O O10872 [0,2,0,0,0,0|1,0,0]=3 393 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 N14357 [0,2,0,0,0,0|0,0,0]=2 394 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=NC=C1 67499 [0,2,0,0,0,0|1,0,0]=3 395 B14R1.60 CCOC(=O)[C@@H](N)CC1=CN=CC=C1 67498 [0,2,0,0,0,0|1,0,0]=3 396 B14R1.60 CCOC(=O)[C@H](C)OC1=CC=CC=C1 98061 [0,2,0,0,0,0|2,0,0]=4 397 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 F19536 [0,2,0,0,0,0|1,0,0]=3 398 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 F19537 [0,2,0,0,0,0|1,0,0]=3 399 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 P13871 [0,2,0,0,0,0|1,0,0]=3 400 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(Br)=C1 AC2356 [0,2,0,0,0,0|0,0,0]=2 401 B14R1.1007 COC(=O)[C@@H](N)CC1=C(Br)C=CC=C1 W12018 [0,2,0,0,0,0|0,0,0]=2 402 B14R1.1007 COC(=O)[C@@H](N)CC1=C(C)C=CC=C1 N12861 [0,2,0,0,0,0|0,0,0]=2 403 B14R1.1007 COC(=O)[C@@H](N)CC1=C(Cl)C=CC=C1 I11660 [0,2,0,0,0,0|0,0,0]=2 404 B14R1.1007 COC(=O)[C@@H](N)CC1=C(Cl)C=CC=C1 I11916 [0,2,0,0,0,0|0,0,0]=2 405 B14R1.1007 COC(=O)[C@@H](N)CC1=C(Cl)C=CC=C1 N11049 [0,2,0,0,0,0|0,0,0]=2 406 B14R1.1007 COC(=O)[C@@H](N)CC1=C(Cl)C=CC=C1 N11387 [0,2,0,0,0,0|0,0,0]=2 407 B14R1.1007 COC(=O)[C@@H](N)CC1=C(F)C=CC=C1 I11763 [0,2,0,0,0,0|0,0,0]=2 408 B14R1.1007 COC(=O)[C@@H](N)CC1=C(F)C=CC=C1 N11386 [0,2,0,0,0,0|0,0,0]=2 409 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC AC3682 [0,2,0,0,0,0|0,0,0]=2 410 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC F10686 [0,2,0,0,0,0|0,0,0]=2 411 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC N14639 [0,2,0,0,0,0|0,0,0]=2 412 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O A50317 [0,2,0,0,0,0|0,0,0]=2 413 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1F)C(=O)O D81438 [0,2,0,0,0,0|0,0,0]=2 414 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1F)C(=O)O A50313 [0,2,0,0,0,0|0,0,0]=2 415 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1F)C(=O)O A50318 [0,2,0,0,0,0|0,0,0]=2 416 B14R1.153 N[C@@H](CC1=CC=CC(O)=C1F)C(=O)O N14832 [0,2,0,0,0,0|0,0,0]=2 417 B14R1.153 N[C@@H](CC1=CC=CC(O)=C1F)C(=O)O N14833 [0,2,0,0,0,0|0,0,0]=2 418 B14R1.542 CC[C@H](OC1=CC(C)=CC=C1)C(=O)O D78805 [0,2,0,0,0,0|2,0,0]=4 419 B14R1.542 N#C[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O AC2855 [0,2,0,0,0,0|0,0,1]=3 420 B14R1.4404 CC(C)(OC1=CC=CC(Cl)=C1)C(=O)O 57939 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.4404 CC(C)(OC1=CC=CC(F)=C1)C(=O)O 58009 [0,2,0,0,0,0|2,0,0]=4 422 B14R1.4404 C[C@](N)(CC1=CC=CC(Br)=C1)C(=O)O F15994 [0,2,0,0,0,0|0,0,0]=2 423 B14R1.4474 CC1=CC(C[C@H](N)C(=O)O)=C(C)C=C1 A50326 [0,2,0,0,0,0|0,0,0]=2 424 B14R1.4474 N[C@@H](CC1=C(Cl)C=CC(Cl)=C1)C(=O)O A50324 [0,2,0,0,0,0|0,0,0]=2 425 B14R1.4474 N[C@@H](CC1=C(F)C=CC(Br)=C1)C(=O)O AC6148 [0,2,0,0,0,0|0,0,0]=2 426 B14R1.4474 N[C@@H](CC1=C(F)C=CC(F)=C1)C(=O)O F31115 [0,2,0,0,0,0|0,0,0]=2 427 B14R1.6391 CC(C)(C(=O)O)[C@H](N)C1=CC=CC=C1 N14620 [0,2,0,0,0,0|1,0,0]=3 428 B14R1.6391 CC(C)(C(=O)O)[C@H](N)C1=CC=CC=C1 N14621 [0,2,0,0,0,0|1,0,0]=3 429 B14R1.6391 CC(C)(C(=O)O)[C@H](N)C1=CC=CC=C1 N14622 [0,2,0,0,0,0|1,0,0]=3 430 B14R1.550 N#C[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O AC4334 [0,2,0,0,0,0|0,0,1]=3 431 B14R1.3135 C=CC1=C(C[C@H](N)C(=O)O)C=CC=C1 N14673 [0,2,0,0,0,0|0,0,0]=2 432 B14R1.3135 COC1=C(CC(=O)C(=O)O)C=CC=C1 C91207 [0,2,0,0,0,0|1,0,1]=4 433 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 N10901 [0,2,0,0,0,0|0,0,0]=2 434 B14R1.3135 N#CC1=C(C[C@H](N)C(=O)O)C=CC=C1 A50112 [0,2,0,0,0,0|0,0,0]=2 435 B14R1.3135 N#CC1=C(C[C@H](N)C(=O)O)C=CC=C1 A50117 [0,2,0,0,0,0|0,0,0]=2 436 B14R1.5882 CC(C)(OC1=C(F)C=CC=C1)C(=O)O 58011 [0,2,0,0,0,0|2,0,0]=4 437 B14R1.5882 CC1=C(CC(C)(C)C(=O)O)C=CC=C1 72481 [0,2,0,0,0,0|1,0,0]=3 438 B14R1.5971 N[C@@H](CC1=C(Cl)C=CC=C1Cl)C(=O)O A50327 [0,2,0,0,0,0|0,0,0]=2 439 B14R1.5971 N[C@@H](CC1=C(Cl)C=CC=C1Cl)C(=O)O F16418 [0,2,0,0,0,0|0,0,0]=2 440 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [1,0,0,1,0,0|0,0,0]=2 441 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [1,0,0,1,0,0|0,0,1]=3 442 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [1,0,0,1,0,0|1,0,1]=4 443 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [1,0,0,1,0,0|1,0,1]=4 444 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [1,0,0,1,0,0|1,0,1]=4 445 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [1,0,0,1,0,0|1,0,0]=3 446 B12R2.94 NC1(CC2=CC=CC=C2)CC1 D74695 [1,0,0,1,0,0|1,0,1]=4 447 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [1,0,0,1,0,0|2,0,0]=4 448 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [1,0,0,1,0,0|1,0,0]=3 449 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [1,0,0,1,0,0|1,0,1]=4 450 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 AT22396 [0,0,0,1,1,0|2,0,0]=4 451 B14R2.19 O=C1CC[C@H](CC2=CC=CC=C2)C1 33453 [0,0,0,1,0,1|2,0,0]=4 452 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=NC=CC=C2 C91762 [0,0,0,1,0,1|2,0,0]=4 453 B14R2.741 C[C@@H]1NCC2=C(C=CC=C2)NC1=O F15283 [0,0,0,1,0,1|2,0,0]=4 454 B14R2.781 NC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 F13196 [0,0,0,1,0,1|2,0,0]=4 455 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 F19550 [0,0,0,1,0,1|0,0,0]=2 456 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50349 [0,0,0,1,0,1|1,0,0]=3 457 B14R2.781 O=C(O)[C@@H]1CSC2=C(C=CC=C2)O1 AT20924 [0,0,0,1,0,1|1,0,0]=3 458 B14R2.786 C[C@]1(C(=O)O)C[C@@H]1C2=CC=CC=C2 AT16847 [0,0,0,1,0,1|1,0,0]=3 459 B14R2.9535 N[C@]1(C(=O)O)CCC2=C1C=CC=C2 93141 [0,0,0,1,0,1|0,0,0]=2 460 B14R2.9535 N[C@]1(C(=O)O)CCC2=C1C=CC=C2 93181 [0,0,0,1,0,1|0,0,0]=2 461 B14R2.9535 N[C@]1(C(=O)O)CCC2=C1C=CC=N2 94504 [0,0,0,1,0,1|1,0,0]=3 462 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 F51901 [0,1,0,1,0,0|1,0,0]=3 463 B14R2.4402 NC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AT24982 [0,1,0,1,0,0|1,0,0]=3 464 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AC9688 [0,1,0,1,0,0|1,0,0]=3 465 B14R2.4529 O=C(O)[C@@H]1CC2=C(C=CC(Cl)=C2)O1 F14732 [0,1,0,1,0,0|1,0,0]=3 466 B14R2.8239 C[C@H]1CC2=C(C=C(O)C=C2)NC1=O 92261 [0,1,0,1,0,0|2,0,0]=4 467 B14R2.958 COC(=O)C1CC1C2=CC=CC=C2 AT11593 [0,1,0,1,0,0|1,0,0]=3 468 B14R2.958 COC(=O)C1NC1C2=CC=CC=C2 AC4801 [0,1,0,1,0,0|0,0,0]=2 469 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 AC6025 [0,1,0,1,0,0|1,0,0]=3 470 B14R2.958 COC(=O)[C@@H]1N=C1C2=CC=CC=C2 AC4984 [0,1,0,1,0,0|0,0,2]=4 471 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AC8629 [0,1,0,1,0,0|1,0,0]=3 472 B14R2.9589 N[C@@H](CC1=CC=CC=C1)C2COC2 98583 [0,1,0,1,0,0|1,0,1]=4 473 B14R2.9589 N[C@@H](CC1=CC=CC=C1)C2COC2 98584 [0,1,0,1,0,0|1,0,1]=4 474 B14R2.4476 CC1=CC=CC([C@H]2C[C@@H]2C(=O)O)=C1 AC8796 [0,1,0,1,0,0|1,0,0]=3 475 B14R2.4476 CC1=CC=CC([C@H]2C[C@@H]2C(=O)O)=C1 AC9715 [0,1,0,1,0,0|1,0,0]=3 476 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(O)=CC=C2 AT20426 [0,1,0,1,0,0|1,0,0]=3 477 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Br)=C2 AC9627 [0,1,0,1,0,0|1,0,0]=3 478 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC8358 [0,1,0,1,0,0|1,0,0]=3 479 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 P18652 [0,1,0,1,0,0|1,0,0]=3 480 B14R2.7969 NC1=CC=CC2=C1NC(C(=O)O)=C2 N16833 [0,1,0,1,0,0|0,0,2]=4 481 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2O)N1 82139 [0,1,0,1,0,0|0,0,2]=4 482 B14R2.7969 O=C(O)[C@@H]1CC2=CC=CC(Cl)=C2O1 76405 [0,1,0,1,0,0|1,0,0]=3 483 B14R2.450 O=C(O)C1=C(O)C2=C(C=CC=C2)N1 D78597 [0,1,0,1,0,0|0,0,2]=4 484 B14R2.5443 CC1=C([C@H]2C[C@@H]2C(=O)O)C=CC=C1 AC7993 [0,1,0,1,0,0|1,0,0]=3 485 B14R2.788 O=C(O)C1(SC2=CC=CC=C2)CC1 AT20932 [0,1,0,1,0,0|2,0,0]=4 486 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,0,0,0,1,0|1,0,1]=4 487 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,0,0,0,1,0|1,0,0]=3 488 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,0,0,0,1,0|1,0,0]=3 489 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,0,0,0,1,0|2,0,0]=4 490 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,0,0,0,1,0|2,0,0]=4 491 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [1,0,0,0,1,0|1,0,1]=4 492 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [1,0,0,0,1,0|1,0,1]=4 493 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,0,0,0,1,0|1,0,1]=4 494 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,0,0,0,1,0|1,0,1]=4 495 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,0,0,0,1,0|1,0,1]=4 496 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,0,0,0,1,0|1,0,1]=4 497 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [1,0,0,0,1,0|1,0,1]=4 498 B10R1.66 O=C(O)COC1=CSC=C1 AT16734 [1,0,0,0,1,0|2,0,0]=4 499 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [1,0,0,0,1,0|2,0,0]=4 500 B10R1.23 C[C@@H](C(=O)O)C1=CC=CO1 AT17464 [0,0,0,0,2,0|2,0,0]=4 501 B10R1.23 C[C@@H](C(=O)O)C1=CC=CS1 AT16728 [0,0,0,0,2,0|2,0,0]=4 502 B10R1.23 C[C@@H](C(=O)O)C1=CSC=C1 AT17090 [0,0,0,0,2,0|2,0,0]=4 503 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 38266 [0,0,0,0,2,0|1,0,0]=3 504 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [1,0,0,0,0,1|2,0,0]=4 505 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [1,0,0,0,0,1|1,0,1]=4 506 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [1,0,0,0,0,1|1,0,1]=4 507 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [1,0,0,0,0,1|1,0,1]=4 508 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [1,0,0,0,0,1|1,0,0]=3 509 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 AT25408 [1,0,0,0,0,1|0,0,1]=3 510 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [1,0,0,0,0,1|1,0,0]=3 511 B12R1.252 O=C(O)CCNC1=CC=NC=C1 W15226 [1,0,0,0,0,1|1,0,0]=3 512 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [1,0,0,0,0,1|1,0,0]=3 513 B14R1.423 C[C@@H](CC1=CC=CC=C1)NCC(=O)O F19928 [0,0,0,0,0,2|1,0,0]=3 514 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86825 [0,0,0,0,0,2|0,0,0]=2 515 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O FD21338 [0,0,0,0,0,2|0,0,0]=2 516 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 D76397 [0,0,0,0,0,2|1,0,0]=3 517 B14R1.6449 O=C([O-])[C@@H](Cl)COCC1=CC=CC=C1 F20745 [0,0,0,0,0,2|1,0,1]=4