0 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.107 C\C(=C/[N+](=O)[O-])C1=CC=CC=C1 Y14661 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,0,0|3,0,0]=4 34 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.11 COC(=O)C[C@H](N)C1=CN=CC=C1 30406 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 N11169 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56502 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56504 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 F16882 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Y10682 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 Y10448 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61114 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50481 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 Y13375 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62468 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 55908 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 58168 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61005 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.147 O=C(O)C[C@H](O)C1=CC=CC(Cl)=C1 D80731 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.201 CC(=O)NC(=O)C1=C(O)C=CC=C1 28028 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 C13510 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 23591 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A50482 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 A50424 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58172 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58173 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 77804 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 D73877 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.713 CN[C@@H](CN(C)C)C1=CC=CC=C1 AR3530 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.10 CC1=NC=C(C2=CC=CC=C2)O1 63684 [0,0,0,1,0,0|1,0,2]=4 64 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [0,0,0,1,0,0|1,0,0]=2 66 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,0,0,1,0,0|1,0,0]=2 67 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,0,0,1,0,0|1,0,0]=2 68 B13R2.10 O=C1C[C@H](C2=CN=CC=C2)CN1 F13637 [0,0,0,1,0,0|3,0,0]=4 69 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,1,0,0|1,0,0]=2 70 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [0,0,0,1,0,0|2,0,0]=3 71 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [0,0,0,1,0,0|2,1,0]=4 72 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [0,0,0,1,0,0|2,1,0]=4 73 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [0,0,0,1,0,0|1,0,2]=4 74 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 27607 [0,0,0,1,0,0|2,0,1]=4 76 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [0,0,0,1,0,0|3,0,0]=4 77 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,0,0,1,0,0|2,0,1]=4 78 B13R2.423 O=C(Cl)[C@H]1C[C@@H]1C2=NC=CC=C2 AT21498 [0,0,0,1,0,0|3,0,0]=4 79 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 F52568 [0,0,0,1,0,0|3,0,0]=4 80 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 F52567 [0,0,0,1,0,0|3,0,0]=4 81 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 Y10094 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,0,0,1,0,0|2,0,0]=3 83 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,0,0,1,0,0|2,0,0]=3 84 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 84939 [0,0,0,1,0,0|3,0,0]=4 85 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 C93523 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT10071 [0,0,0,1,0,0|3,0,0]=4 87 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT22878 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 91719 [0,0,0,1,0,0|3,0,0]=4 89 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 AT22087 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.12159 C[C@@H]1NS(=O)(=O)C2=C1C=CC=C2 AC1801 [0,0,0,1,0,0|3,0,0]=4 91 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,0,0,0,1,0|1,0,0]=2 92 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,0,0,0,1,0|1,0,0]=2 93 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,0,0,0,1,0|2,0,1]=4 94 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,0,0,0,1,0|2,0,1]=4 95 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,0,0,0,1,0|2,0,1]=4 96 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,0,0,0,1,0|2,0,0]=3 97 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,0,0,0,1,0|2,0,0]=3 98 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,0,0,0,1,0|1,0,2]=4 100 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,0,0,0,1,0|3,0,0]=4 101 B13R1.45 NC(=O)OC[C@H](O)C1=CC=CC=C1 D93074 [0,0,0,0,0,1|2,0,0]=3 102 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72702 [0,0,0,0,0,1|3,0,0]=4 103 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72703 [0,0,0,0,0,1|3,0,0]=4 104 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10513 [0,0,0,0,0,1|3,0,0]=4 105 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,0,0,0,0,1|2,0,1]=4 106 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,0,0,0,0,1|3,0,0]=4 107 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [2,0,0,0,0,0|1,0,1]=4 110 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.17 CNNCC1=CC=CC=C1 30192 [2,0,0,0,0,0|2,0,0]=4 119 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 C75972 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [1,1,0,0,0,0|0,0,1]=3 128 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [1,1,0,0,0,0|0,0,2]=4 132 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [1,1,0,0,0,0|0,1,0]=3 138 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,1,0,0,1,0|1,0,1]=4 139 B12R1.20 CC(=O)N(C)C1=CC=C(C)C=C1 D93545 [0,1,0,0,1,0|1,0,0]=3 140 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,1,0,0,1,0|2,0,0]=4 141 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,1,0,0,1,0|2,0,0]=4 142 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,1,0,0,1,0|2,0,0]=4 143 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,1,0,0,1,0|1,0,0]=3 145 B12R1.20 C[C@@H](C(=O)O)C1=CN=C(Cl)C=C1 69943 [0,1,0,0,1,0|2,0,0]=4 146 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,1,0,0,1,0|2,0,0]=4 147 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,1,0,0,1,0|2,0,0]=4 148 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,1,0,0,1,0|2,0,0]=4 150 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 D83457 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 Y11801 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.124 C[C@@H](C(=O)O)N1C=CC=CC1=O W16391 [0,1,0,0,1,0|2,0,0]=4 155 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 AT21607 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 Y10528 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 Y11747 [0,1,0,0,1,0|2,0,0]=4 158 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 Y11901 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 Y13377 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 Y13378 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y10677 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.124 O=C(O)[C@H](Br)C1=C(Br)C=CC=C1 P20733 [0,1,0,0,1,0|2,0,0]=4 163 B12R1.124 O=C(O)[C@H](F)C1=C(Cl)C=CC=C1 98561 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.225 CC(=O)C(=O)C1=CC=CC(F)=C1 D79282 [0,1,0,0,1,0|1,0,1]=4 165 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 D85965 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 F20906 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N15140 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 Y14776 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.225 NC(=O)[C@H](N)C1=CC=CC(F)=C1 D80946 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 Y11300 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y10943 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y11229 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 57493 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 N10486 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y10477 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 52230 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23986 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23988 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11806 [0,1,0,0,1,0|2,0,0]=4 180 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Cl)=C1 98548 [0,1,0,0,1,0|2,0,0]=4 181 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Br)=C1 W18887 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC4021 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 C75007 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 67278 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 75104 [0,1,0,0,1,0|1,0,0]=3 186 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 75105 [0,1,0,0,1,0|1,0,0]=3 187 B12R1.478 CC(=O)[C@H](C#N)C1=NC=CC=C1 C75676 [0,1,0,0,1,0|1,0,1]=4 188 B12R1.478 CC(C)[C@H](CN)C1=CC=CC=C1 A11872 [0,1,0,0,1,0|1,0,1]=4 189 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 35104 [0,1,0,0,1,0|1,0,0]=3 190 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86305 [0,1,0,0,1,0|1,0,0]=3 191 B12R1.478 N#C[C@@H](C(=O)O)C1=CC=CC=C1 AC8944 [0,1,0,0,1,0|1,0,1]=4 192 B12R1.478 NC(=O)[C@H](CO)C1=CC=CC=C1 F16398 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15276 [0,1,0,0,1,0|1,0,0]=3 194 B14R1.160 CC(=O)COC(=O)C1=C(N)C=CC=C1 A12001 [0,1,0,0,0,1|1,0,1]=4 195 B14R1.160 CC(=O)O\N=C(\C)C1=C(O)C=CC=C1 W12758 [0,1,0,0,0,1|0,0,1]=3 196 B14R1.540 NC(=O)OC[C@H](CO)C1=CC=CC=C1 P16881 [0,1,0,0,0,1|1,0,0]=3 197 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 C75463 [0,1,0,0,0,1|1,0,0]=3 198 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 Y10469 [0,2,0,0,0,0|2,0,0]=4 199 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 Y10886 [0,2,0,0,0,0|2,0,0]=4 200 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 63534 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 F16960 [0,2,0,0,0,0|2,0,0]=4 202 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 N16706 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 Y11149 [0,2,0,0,0,0|2,0,0]=4 204 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(O)C=C1 AC2407 [0,2,0,0,0,0|2,0,0]=4 205 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(O)C=C1 Y10924 [0,2,0,0,0,0|2,0,0]=4 206 B14R1.11 COC(=O)C[C@H](C)C1=CC(O)=CC=C1 32428 [0,2,0,0,0,0|1,0,0]=3 207 B14R1.11 COC(=O)C[C@H](N)C1=CC(O)=CC=C1 Y10885 [0,2,0,0,0,0|2,0,0]=4 208 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Br)=C1 55923 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.11 COC(=O)C[C@H](O)C1=CC(O)=CC=C1 32638 [0,2,0,0,0,0|2,0,0]=4 210 B14R1.85 COC(=O)C(=O)N(C)C1=CC=CC=C1 D94323 [0,2,0,0,0,0|2,0,0]=4 211 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 25977 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 39076 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.587 COC(=O)C[C@H](N)C1=C(C)C=CC=C1 N17052 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.741 CCC(=O)CC(C)(C)C1=CC=CC=C1 D93484 [0,2,0,0,0,0|1,0,0]=3 215 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 31163 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.5805 CC(C)(CC(=O)O)C1=C(F)C=CC=C1 74599 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.6455 CC(=O)N[C@@H](C(=O)O)C1=CC=CC=C1 F11531 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 20662 [0,0,1,1,0,0|0,0,2]=4 219 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [1,0,0,1,0,0|1,0,1]=4 220 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [1,0,0,1,0,0|1,0,1]=4 221 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [1,0,0,1,0,0|1,0,1]=4 222 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [1,0,0,1,0,0|2,0,0]=4 227 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [1,0,0,1,0,0|1,0,0]=3 231 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [1,0,0,1,0,0|1,0,0]=3 233 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [1,0,0,1,0,0|2,0,0]=4 234 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,0,0,1,1,0|2,0,0]=4 235 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,0,0,1,1,0|1,0,1]=4 236 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [0,0,0,1,1,0|2,0,0]=4 237 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 P15375 [0,0,0,1,1,0|2,0,0]=4 238 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [0,0,0,1,1,0|2,0,0]=4 239 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,1,1,0|1,0,1]=4 240 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,0,0,1,1,0|1,0,0]=3 241 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,1,1,0|0,0,0]=2 242 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [0,0,0,1,0,1|1,0,0]=3 243 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [0,0,0,1,0,1|1,0,0]=3 244 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 C75481 [0,0,0,1,0,1|1,0,0]=3 245 B14R2.68 O=C1CO[C@H](C2=CC=CC=C2)CN1 O11626 [0,0,0,1,0,1|1,0,0]=3 246 B14R2.25733 CC(=O)C1=CN(C)C2=C1C=CC=C2 W17298 [0,0,0,1,0,1|2,0,0]=4 247 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,0,0,1,0,1|2,0,0]=4 248 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,0,0,1,0,1|2,0,0]=4 249 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 86146 [0,0,0,1,0,1|1,0,1]=4 250 B14R2.21 CC1CNCC(C2=CC=CC=C2)O1 F17620 [0,1,0,1,0,0|1,0,1]=4 251 B14R2.21 O=C1CCO[C@H](C2=CC=CC=C2)C1 25492 [0,1,0,1,0,0|1,0,0]=3 252 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 53464 [0,1,0,1,0,0|1,0,0]=3 253 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 O11290 [0,1,0,1,0,0|1,0,0]=3 254 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 C73927 [0,1,0,1,0,0|1,0,0]=3 255 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65772 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65720 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65771 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 W10423 [0,1,0,1,0,0|1,0,0]=3 259 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 83820 [0,1,0,1,0,0|2,0,0]=4 261 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 H11100 [0,1,0,1,0,0|2,0,0]=4 262 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W12440 [0,1,0,1,0,0|2,0,0]=4 263 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 P15790 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.22 CC1=CC=CC([C@@H]2CNC(=O)C2)=C1 58201 [0,1,0,1,0,0|2,0,0]=4 265 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 53462 [0,1,0,1,0,0|1,0,0]=3 266 B14R2.22 NC1=CC=CC([C@@H]2CNC(=O)C2)=C1 SC1181 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.22 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 SC1221 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 Y10404 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.8235 C[C@H]1CC(=O)NC2=C1C=C(Cl)C=C2 P16869 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 P10066 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.2 CC(=O)O[C@H]1CCC2=CC=CN=C21 N12355 [0,1,0,1,0,0|1,0,0]=3 272 B14R2.2 O=C(O)C[C@H]1CCC2=C1C=CC=C2 20582 [0,1,0,1,0,0|2,0,0]=4 273 B14R2.256 CC1=C([C@@H]2CNC(=O)C2)C=CC=C1 58204 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.256 O=C1CC[C@@H](C2=C(Br)C=CC=C2)N1 74691 [0,1,0,1,0,0|1,0,0]=3 275 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 53466 [0,1,0,1,0,0|1,0,0]=3 276 B14R2.256 O=C1C[C@H](C2=C(Br)C=CC=C2)CN1 F53811 [0,1,0,1,0,0|2,0,0]=4 277 B14R2.256 O=C1C[C@H](C2=C(Cl)C=CC=C2)CN1 65781 [0,1,0,1,0,0|2,0,0]=4 278 B14R2.256 O=C1C[C@H](C2=C(F)C=CC=C2)CN1 58206 [0,1,0,1,0,0|2,0,0]=4 279 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 Y10099 [0,1,0,1,0,0|2,0,0]=4 280 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(Cl)C=CC=C2 AC9714 [0,1,0,1,0,0|2,0,0]=4 281 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC9747 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.55357 CC1(C)OC(C)(C)C2=C1C=CC=C2 D92830 [0,1,0,1,0,0|1,0,1]=4 283 B14R2.3449 N#CC1(C2=CC=CC=C2)CC(=O)C1 W18258 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,0,0,1,0|1,0,0]=3 285 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,1,0|1,0,0]=3 286 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,0,0,0,1,0|2,0,0]=4 287 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,0,0,0,1,0|1,1,0]=4 288 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [1,0,0,0,0,1|2,0,0]=4