0 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.43 C[C@@H](CC1=NC=CC=N1)C(=O)O W18320 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.43 C[C@H](OC1=NC=CC=C1)C(=O)O W18936 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,0,0|0,0,2]=3 40 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [1,0,0,0,0,0|1,0,2]=4 42 B13R1.133 CC(C)C(=O)CC1=CC=C(F)C=C1 N12781 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.133 CC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3824 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.133 CC1=NC=C(C[C@H](N)C(=O)O)C=C1 Y10839 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.133 CN(C)C(=O)CC1=CC=C(N)C=C1 L10071 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [0,1,0,0,0,0|1,0,1]=3 47 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.133 C[C@H](OC1=CC=C(Cl)C=C1)C(=O)O A50595 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O D95596 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 A12610 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A11480 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.133 N[C@@H](CC1=CN=C(Cl)C=C1)C(=O)O Y12874 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.133 N[C@@H](CC1=NC=C(Br)C=C1)C(=O)O Y10844 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [0,1,0,0,0,0|0,0,2]=3 55 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [0,1,0,0,0,0|0,0,2]=3 56 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [0,1,0,0,0,0|0,0,2]=3 57 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [0,1,0,0,0,0|0,0,2]=3 58 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.135 COC(=O)[C@@H](N)CC1=CC=NC=C1 Y13030 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CN=C1 Y12927 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 F16900 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y10907 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.148 N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O Y12928 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Y10908 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O A50209 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 C15825 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.152 CN(C)C(=O)[C@H](N)C1=CC=CC=C1 C12625 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.152 CN(C)C(=O)[C@H](O)C1=CC=CC=C1 C73823 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13384 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=N1 Y10840 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 76517 [0,1,0,0,0,0|1,0,1]=3 78 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N14210 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O Y11804 [0,1,0,0,0,0|1,0,1]=3 80 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O Y12459 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O I10720 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y10472 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y11730 [0,1,0,0,0,0|1,0,1]=3 84 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32246 [0,1,0,0,0,0|1,0,1]=3 85 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87873 [0,1,0,0,0,0|0,0,2]=3 86 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10695 [0,1,0,0,0,0|1,0,1]=3 87 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,0,0,1,0,0|1,0,1]=3 88 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [0,0,0,1,0,0|2,0,1]=4 90 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [0,0,0,1,0,0|2,0,0]=3 91 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [0,0,0,1,0,0|1,0,2]=4 92 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.369 O=C1NC2=C(C=NC=C2)NC1=O F20946 [0,0,0,1,0,0|3,0,0]=4 94 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,0,0,1,0,0|1,0,1]=3 95 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,0,0,1,0,0|2,0,0]=3 96 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,0,0,1,0,0|1,0,1]=3 97 B13R2.369 OC1=CC2=CC=CC=C2C=C1Br T70735 [0,0,0,1,0,0|2,0,1]=4 98 B13R2.369 OC1=CC2=CC=CC=C2C=C1O AC2509 [0,0,0,1,0,0|1,0,2]=4 99 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl 87954 [0,0,0,1,0,0|3,0,0]=4 100 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 70707 [0,0,0,1,0,0|1,0,2]=4 101 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 F52568 [0,0,0,1,0,0|2,0,1]=4 102 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 F52567 [0,0,0,1,0,0|2,0,1]=4 103 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 Y10094 [0,0,0,1,0,0|2,0,1]=4 104 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,0,0,1,0,0|1,0,1]=3 105 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,0,0,1,0,0|1,0,1]=3 106 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 84939 [0,0,0,1,0,0|2,0,1]=4 107 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 C93523 [0,0,0,1,0,0|2,0,1]=4 108 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT10071 [0,0,0,1,0,0|2,0,1]=4 109 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT22878 [0,0,0,1,0,0|2,0,1]=4 110 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 91719 [0,0,0,1,0,0|2,0,1]=4 111 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 AT22087 [0,0,0,1,0,0|2,0,1]=4 112 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 25646 [0,0,0,1,0,0|2,0,1]=4 113 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 75402 [0,0,0,1,0,0|2,0,1]=4 114 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 F53644 [0,0,0,1,0,0|2,0,1]=4 115 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 AC1335 [0,0,0,1,0,0|1,0,0]=2 116 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 37347 [0,0,0,1,0,0|1,1,1]=4 117 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 81378 [0,0,0,1,0,0|1,1,1]=4 118 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 87399 [0,0,0,1,0,0|1,0,2]=4 119 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 87593 [0,0,0,1,0,0|1,1,1]=4 120 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 68599 [0,0,0,1,0,0|1,1,1]=4 121 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 25340 [0,0,0,1,0,0|1,1,0]=3 122 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 C16851 [0,0,0,1,0,0|3,0,0]=4 123 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 P17966 [0,0,0,1,0,0|2,0,1]=4 124 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 20910 [0,0,0,1,0,0|1,0,2]=4 125 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O F52519 [0,0,0,0,1,0|2,0,1]=4 126 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,0,0,0,1,0|2,0,1]=4 127 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,0,0,0,1,0|1,0,2]=4 128 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,0,0,0,1,0|2,0,1]=4 129 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,0,0,0,1,0|2,0,1]=4 130 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,0,0,0,1,0|2,0,1]=4 131 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,0,0,0,0,1|1,0,0]=2 132 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 C91653 [0,0,0,0,0,1|3,0,0]=4 133 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,0,0,0,0,1|1,0,1]=3 134 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,0,0,0,0,1|1,0,1]=3 135 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,0,0,0,0,1|1,0,1]=3 136 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 Y14681 [0,0,0,0,0,1|1,0,1]=3 137 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [0,0,0,0,0,1|1,0,1]=3 138 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [2,0,0,0,0,0|1,1,0]=4 143 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [2,0,0,0,0,0|2,0,0]=4 144 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.49 C=CC(=O)NC1=CC=C(N)C=C1 A10042 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P18258 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.50 N\C(CC1=CC=CC(Br)=C1)=N\O 72183 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 AR2315 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.371 CC1=C(C\C(N)=N/O)C=CC=C1 W10713 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.371 N\C(CC1=C(Br)C=CC=C1)=N\O W10717 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [1,1,0,0,0,0|1,0,1]=4 176 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [1,1,0,0,0,0|0,0,2]=4 177 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [1,1,0,0,0,0|0,0,2]=4 178 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [1,1,0,0,0,0|0,0,1]=3 179 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 F16133 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 C77141 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,1,0,0,0,0|0,0,1]=3 190 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,1,0,0,0,0|0,0,1]=3 191 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [1,1,0,0,0,0|0,0,1]=3 208 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 W19721 [1,1,0,0,0,0|0,0,2]=4 209 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [1,1,0,0,0,0|0,0,1]=3 211 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,1,0,0,1,0|1,0,0]=3 212 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,1,0,0,1,0|1,0,1]=4 213 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,1,0,0,1,0|1,0,1]=4 214 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,1,0,0,1,0|0,0,2]=4 215 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,1,0,0,1,0|1,0,1]=4 216 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,1,0,0,1,0|1,0,1]=4 217 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,1,0,0,1,0|1,0,0]=3 218 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,1,0,0,1,0|1,0,1]=4 219 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,1,0,0,1,0|1,0,1]=4 220 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,1,0,0,1,0|1,0,1]=4 221 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,1,0,0,1,0|1,0,1]=4 222 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [0,1,0,0,1,0|0,0,0]=2 223 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [0,1,0,0,1,0|0,0,0]=2 224 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,1,0,0,1,0|0,0,0]=2 225 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,1,0,0,1,0|0,0,0]=2 226 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,1,0,0,1,0|0,0,2]=4 227 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [0,1,0,0,1,0|0,0,1]=3 228 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 D83457 [0,1,0,0,1,0|1,0,1]=4 229 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 Y11801 [0,1,0,0,1,0|1,0,1]=4 230 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 AT21607 [0,1,0,0,1,0|1,0,1]=4 231 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 Y10528 [0,1,0,0,1,0|1,0,1]=4 232 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 Y11747 [0,1,0,0,1,0|1,0,1]=4 233 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 Y11901 [0,1,0,0,1,0|1,0,1]=4 234 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 Y13377 [0,1,0,0,1,0|1,0,1]=4 235 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 Y13378 [0,1,0,0,1,0|1,0,1]=4 236 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y10677 [0,1,0,0,1,0|1,0,1]=4 237 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 AB11009 [0,1,0,0,1,0|0,0,0]=2 238 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 AB7290 [0,1,0,0,1,0|0,0,0]=2 239 B12R1.124 O=C(O)[C@H](Br)C1=C(Br)C=CC=C1 P20733 [0,1,0,0,1,0|1,0,1]=4 240 B12R1.124 O=C(O)[C@H](F)C1=C(Cl)C=CC=C1 98561 [0,1,0,0,1,0|1,0,1]=4 241 B12R1.225 CC(=O)C(=O)C1=CC=CC(F)=C1 D79282 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 D85965 [0,1,0,0,1,0|1,0,1]=4 243 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 F20906 [0,1,0,0,1,0|1,0,1]=4 244 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N15140 [0,1,0,0,1,0|1,0,1]=4 245 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 Y14776 [0,1,0,0,1,0|1,0,1]=4 246 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 Y11300 [0,1,0,0,1,0|1,0,1]=4 247 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y10943 [0,1,0,0,1,0|1,0,1]=4 248 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y11229 [0,1,0,0,1,0|1,0,1]=4 249 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 57493 [0,1,0,0,1,0|1,0,1]=4 250 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 N10486 [0,1,0,0,1,0|1,0,1]=4 251 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y10477 [0,1,0,0,1,0|1,0,1]=4 252 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 52230 [0,1,0,0,1,0|1,0,1]=4 253 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23986 [0,1,0,0,1,0|1,0,1]=4 254 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23988 [0,1,0,0,1,0|1,0,1]=4 255 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11806 [0,1,0,0,1,0|1,0,1]=4 256 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 AB11010 [0,1,0,0,1,0|0,0,0]=2 257 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Cl)=C1 98548 [0,1,0,0,1,0|1,0,1]=4 258 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Br)=C1 W18887 [0,1,0,0,1,0|0,0,2]=4 259 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC4021 [0,1,0,0,1,0|0,0,2]=4 260 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 C75007 [0,1,0,0,1,0|0,0,2]=4 261 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 67278 [0,1,0,0,1,0|1,0,1]=4 262 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 75104 [0,1,0,0,1,0|1,0,1]=4 263 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 75105 [0,1,0,0,1,0|1,0,1]=4 264 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 35104 [0,1,0,0,1,0|1,0,1]=4 265 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86305 [0,1,0,0,1,0|1,0,1]=4 266 B12R1.478 N#C[C@@H](C(=O)O)C1=CC=CC=C1 AC8944 [0,1,0,0,1,0|1,0,1]=4 267 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15276 [0,1,0,0,1,0|1,0,1]=4 268 B14R1.337 CC(=O)CC(=O)NC1=C(F)C=CC=C1 T72572 [0,1,0,0,0,1|2,0,0]=4 269 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 77784 [0,1,0,0,0,1|1,0,1]=4 270 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 FD10080 [0,1,0,0,0,1|1,0,1]=4 271 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 51920 [0,1,0,0,0,1|1,0,1]=4 272 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O C16095 [0,1,0,0,0,1|1,0,1]=4 273 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 FD10040 [0,1,0,0,0,1|1,0,1]=4 274 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 F15997 [0,1,0,0,0,1|1,0,1]=4 275 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 AC1733 [0,1,0,0,0,1|1,0,1]=4 276 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 F12119 [0,1,0,0,0,1|1,0,1]=4 277 B14R1.698 O=C(O)CC(=O)NC1=CC=C(F)C=C1 11919 [0,1,0,0,0,1|1,0,0]=3 278 B14R1.743 COC(=O)CC(=O)NC1=CC=NC=C1 A51228 [0,1,0,0,0,1|2,0,0]=4 279 B14R1.5978 CC(=O)CC(=O)NC1=CC=CC(Cl)=C1 T70624 [0,1,0,0,0,1|2,0,0]=4 280 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 77807 [0,1,0,0,0,1|1,0,1]=4 281 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 77779 [0,1,0,0,0,1|1,0,1]=4 282 B14R1.161 N[C@@H](CCC1=C(O)C=CC=C1)C(=O)O W18942 [0,1,0,0,0,1|1,0,1]=4 283 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O D83280 [0,1,0,0,0,1|1,0,1]=4 284 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 S11384 [0,1,0,0,0,1|0,0,1]=3 285 B14R1.756 COC(=O)[C@H](C)OCC1=CC=CC=C1 C12989 [0,1,0,0,0,1|1,0,1]=4 286 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 31573 [0,1,0,0,0,1|1,0,1]=4 287 B14R1.3 C#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50672 [0,2,0,0,0,0|1,0,1]=4 288 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 N10760 [0,2,0,0,0,0|1,0,1]=4 289 B14R1.3 COC1=CC=C(NC(=O)C(=O)O)C=C1 A12506 [0,2,0,0,0,0|1,0,0]=3 290 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 AC2351 [0,2,0,0,0,0|1,0,1]=4 291 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C)C=C1 Y11931 [0,2,0,0,0,0|1,0,1]=4 292 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 N10875 [0,2,0,0,0,0|1,0,1]=4 293 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(I)C=C1 Y14801 [0,2,0,0,0,0|1,0,1]=4 294 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(N)C=C1 Y11386 [0,2,0,0,0,0|1,0,1]=4 295 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93870 [0,2,0,0,0,0|0,0,2]=4 296 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93892 [0,2,0,0,0,0|0,0,2]=4 297 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(F)C=C1 72484 [0,2,0,0,0,0|0,0,2]=4 298 B14R1.536 CO[C@@H](CC1=CC=C(N)C=C1)C(=O)O D81366 [0,2,0,0,0,0|0,0,2]=4 299 B14R1.536 N#C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 59361 [0,2,0,0,0,0|1,0,1]=4 300 B14R1.536 N#C\C(=C/C1=CC=C(O)C=C1)C(=O)O T70712 [0,2,0,0,0,0|1,0,1]=4 301 B14R1.536 NC[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 31813 [0,2,0,0,0,0|1,0,1]=4 302 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 Y12177 [0,2,0,0,0,0|1,0,1]=4 303 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y11726 [0,2,0,0,0,0|1,0,1]=4 304 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12612 [0,2,0,0,0,0|1,0,1]=4 305 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12614 [0,2,0,0,0,0|1,0,1]=4 306 B14R1.686 N[C@@H](CC1=CC(Cl)=C(F)C=C1)C(=O)O Y12619 [0,2,0,0,0,0|1,0,1]=4 307 B14R1.686 N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O Y12216 [0,2,0,0,0,0|1,0,1]=4 308 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O Y12611 [0,2,0,0,0,0|1,0,1]=4 309 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O Y12613 [0,2,0,0,0,0|1,0,1]=4 310 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O 60506 [0,2,0,0,0,0|1,0,1]=4 311 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61380 [0,2,0,0,0,0|1,0,1]=4 312 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61384 [0,2,0,0,0,0|1,0,1]=4 313 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61386 [0,2,0,0,0,0|1,0,1]=4 314 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O Y11239 [0,2,0,0,0,0|1,0,1]=4 315 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O F21483 [0,2,0,0,0,0|1,0,1]=4 316 B14R1.6049 CC1=CC(Br)=C(C[C@H](N)C(=O)O)C=C1 D94000 [0,2,0,0,0,0|1,0,1]=4 317 B14R1.6049 CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 Y11725 [0,2,0,0,0,0|1,0,1]=4 318 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 90584 [0,2,0,0,0,0|1,0,1]=4 319 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 90587 [0,2,0,0,0,0|1,0,1]=4 320 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 Y12270 [0,2,0,0,0,0|1,0,1]=4 321 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 D97639 [0,2,0,0,0,0|0,0,2]=4 322 B14R1.85 COC(=O)C(=O)N(C)C1=CC=CC=C1 D94323 [0,2,0,0,0,0|1,0,0]=3 323 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 25977 [0,2,0,0,0,0|0,0,2]=4 324 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 39076 [0,2,0,0,0,0|0,0,2]=4 325 B14R1.85 COC(=O)\C(C)=C(\Br)C1=CC=CC=C1 D81300 [0,2,0,0,0,0|1,0,1]=4 326 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 F16895 [0,2,0,0,0,0|1,0,1]=4 327 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 Y11618 [0,2,0,0,0,0|1,0,1]=4 328 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(F)=C1 Y14045 [0,2,0,0,0,0|1,0,1]=4 329 B14R1.135 COC(=O)[C@@H](O)CC1=CC(O)=CC=C1 32553 [0,2,0,0,0,0|0,0,2]=4 330 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC F10718 [0,2,0,0,0,0|1,0,1]=4 331 B14R1.75 COC1=CC=CC(CC(=O)C(=O)O)=C1 C91154 [0,2,0,0,0,0|0,0,0]=2 332 B14R1.75 N#CC1=CC=CC(C[C@H](N)C(=O)O)=C1 F12294 [0,2,0,0,0,0|1,0,1]=4 333 B14R1.153 CC1=CC=CC(C[C@H](N)C(=O)O)=C1C A50319 [0,2,0,0,0,0|1,0,1]=4 334 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1F)C(=O)O Y12870 [0,2,0,0,0,0|1,0,1]=4 335 B14R1.542 NC[C@H](CC1=CC=CC(Br)=C1)C(=O)O 51862 [0,2,0,0,0,0|1,0,1]=4 336 B14R1.4257 CC1=CC(C)=CC(C[C@H](N)C(=O)O)=C1 Y14026 [0,2,0,0,0,0|1,0,1]=4 337 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O Y11811 [0,2,0,0,0,0|1,0,1]=4 338 B14R1.4257 N[C@@H](CC1=CC(F)=CC(F)=C1)C(=O)O 60256 [0,2,0,0,0,0|1,0,1]=4 339 B14R1.4404 C[C@](N)(CC1=CC=CC(F)=C1)C(=O)O F16354 [0,2,0,0,0,0|1,0,1]=4 340 B14R1.550 NC[C@H](CC1=C(Br)C=CC=C1)C(=O)O 51864 [0,2,0,0,0,0|1,0,1]=4 341 B14R1.5882 C[C@](N)(CC1=C(Br)C=CC=C1)C(=O)O F15998 [0,2,0,0,0,0|1,0,1]=4 342 B14R1.5971 CC1=CC=CC(C)=C1C[C@H](N)C(=O)O A50328 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.5971 N[C@@H](CC1=C(F)C=CC=C1F)C(=O)O 60224 [0,2,0,0,0,0|1,0,1]=4 344 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O F10610 [0,2,0,0,0,0|0,0,1]=3 345 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O T72675 [0,2,0,0,0,0|0,0,1]=3 346 B14R1.4513 CN(C)[C@@H](CC1=CC=CC=C1)C(=O)O 93872 [0,2,0,0,0,0|1,0,1]=4 347 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O 27540 [1,0,0,1,0,0|2,0,0]=4 348 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,1,0,0|1,0,1]=4 349 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [1,0,0,1,0,0|2,0,0]=4 350 B14R2.19 O=C1NN=C(CC2=CC=CC=C2)N1 A11883 [0,0,0,1,0,1|2,0,0]=4 351 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 86146 [0,0,0,1,0,1|1,0,0]=3 352 B14R2.598 O=C1NC(=O)[C@@H](C2=CC=CC=C2)O1 D81737 [0,0,0,1,0,1|0,0,0]=2 353 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 24899 [0,0,0,1,0,1|1,0,1]=4 354 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 25903 [0,0,0,1,0,1|0,0,2]=4 355 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 C76425 [0,0,0,1,0,1|0,1,1]=4 356 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66619 [0,0,0,1,0,1|1,0,1]=4 357 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66629 [0,0,0,1,0,1|1,0,1]=4 358 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50355 [0,0,0,1,0,1|0,0,2]=4 359 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60392 [0,0,0,1,0,1|0,0,2]=4 360 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 34030 [0,0,0,1,0,1|1,0,1]=4 361 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 83820 [0,1,0,1,0,0|1,0,1]=4 362 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 H11100 [0,1,0,1,0,0|1,0,1]=4 363 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W12440 [0,1,0,1,0,0|1,0,1]=4 364 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 P15790 [0,1,0,1,0,0|1,0,1]=4 365 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 36036 [0,1,0,1,0,0|0,1,1]=4 366 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)S2 72139 [0,1,0,1,0,0|1,1,0]=4 367 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 33854 [0,1,0,1,0,0|1,0,1]=4 368 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 C15800 [0,1,0,1,0,0|0,0,2]=4 369 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 87196 [0,1,0,1,0,0|0,0,2]=4 370 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 66237 [0,1,0,1,0,0|0,0,2]=4 371 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 O11593 [0,1,0,1,0,0|0,0,2]=4 372 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 62484 [0,1,0,1,0,0|1,0,1]=4 373 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 AC2155 [0,1,0,1,0,0|0,0,2]=4 374 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)S1 12913 [0,1,0,1,0,0|0,1,1]=4 375 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 W10186 [0,1,0,1,0,0|0,0,2]=4 376 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 82246 [0,1,0,1,0,0|1,0,1]=4 377 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 Y11630 [0,1,0,1,0,0|0,0,2]=4 378 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 28145 [0,1,0,1,0,0|1,1,0]=4 379 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 27027 [0,1,0,1,0,0|1,1,0]=4 380 B14R2.4529 O=C(O)C1=NC2=C(C=C(F)C=C2)O1 D96822 [0,1,0,1,0,0|1,0,1]=4 381 B14R2.4529 O=C(O)C1=NC2=C(C=C(O)C=C2)N1 P16499 [0,1,0,1,0,0|2,0,0]=4 382 B14R2.8239 CC1=CC2=C(C=C(O)C=C2)OC1=O C90473 [0,1,0,1,0,0|1,0,1]=4 383 B14R2.8239 CN1CC2=C(C=CC(Br)=C2)OC1=O D83433 [0,1,0,1,0,0|2,0,0]=4 384 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O O10941 [0,1,0,1,0,0|1,0,1]=4 385 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 C16248 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 Y10077 [0,1,0,1,0,0|2,0,0]=4 387 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 AC2381 [0,1,0,1,0,0|1,0,1]=4 388 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 20722 [0,1,0,1,0,0|1,0,1]=4 389 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 W19465 [0,1,0,1,0,0|1,0,1]=4 390 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O F16157 [0,1,0,1,0,0|1,0,1]=4 391 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O F19184 [0,1,0,1,0,0|2,0,0]=4 392 B14R2.8188 O=C1OC2=C(C=CC=C2)C(Br)C1Br 56107 [0,1,0,1,0,0|1,0,1]=4 393 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 Y10404 [0,1,0,1,0,0|1,0,1]=4 394 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 25669 [0,1,0,1,0,0|1,0,1]=4 395 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 C73325 [0,1,0,1,0,0|0,1,1]=4 396 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 63672 [0,1,0,1,0,0|2,0,0]=4 397 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)S2 72137 [0,1,0,1,0,0|1,1,0]=4 398 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 74917 [0,1,0,1,0,0|1,0,1]=4 399 B14R2.7969 NC1=CC=CC2=C1C=C(C(=O)O)S2 D96953 [0,1,0,1,0,0|0,1,1]=4 400 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 F13713 [0,1,0,1,0,0|0,1,1]=4 401 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 48732 [0,1,0,1,0,0|1,0,1]=4 402 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2S1 F13950 [0,1,0,1,0,0|0,1,1]=4 403 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2F)S1 76118 [0,1,0,1,0,0|1,1,0]=4 404 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 C15271 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 D96951 [0,1,0,1,0,0|0,1,1]=4 406 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C76764 [0,1,0,1,0,0|0,0,2]=4 407 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 Y10099 [0,1,0,1,0,0|1,0,1]=4 408 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(Cl)C=CC=C2 AC9714 [0,1,0,1,0,0|1,0,1]=4 409 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC9747 [0,1,0,1,0,0|1,0,1]=4 410 B14R2.788 O=C(O)C1(CC2=CC=CC=C2)CC1 P19120 [0,1,0,1,0,0|1,0,1]=4 411 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [1,0,0,0,1,0|1,0,0]=3 412 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [1,0,0,0,1,0|1,0,1]=4 413 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [1,0,0,0,1,0|2,0,0]=4 414 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,0,0,0,1,0|1,0,1]=4 415 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [1,0,0,0,1,0|1,0,1]=4 416 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [1,0,0,0,1,0|1,0,1]=4 417 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [1,0,0,0,1,0|1,0,1]=4 418 B10R1.23 O=C(O)C(=O)C1=CC=CO1 D77791 [0,0,0,0,2,0|1,0,0]=3 419 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [1,0,0,0,0,1|1,0,1]=4 420 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [1,0,0,0,0,1|1,0,1]=4 421 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [1,0,0,0,0,1|1,0,1]=4 422 B14R1.818 CC(=O)CC(=O)\C=C\C1=CC=CC=C1 30085 [0,0,0,0,0,2|1,0,1]=4 423 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62361 [0,0,0,0,0,2|1,0,1]=4 424 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86826 [0,0,0,0,0,2|1,0,1]=4 425 B14R1.6449 C[C@H](O)C(=O)OCCC1=CC=CC=C1 73762 [0,0,0,0,0,2|1,0,1]=4 426 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O A50121 [0,0,0,0,0,2|1,0,1]=4 427 B14R1.6449 O=C(O)[C@@H](O)CCCC1=CC=CC=C1 W13072 [0,0,0,0,0,2|0,0,2]=4 428 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 85225 [0,0,0,0,0,2|0,0,2]=4