0 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 N12985 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 50989 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 28085 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75007 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 N12271 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50480 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.147 C[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC6266 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62470 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 D86847 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 H11503 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O F12982 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.201 CC(=O)CC(=O)C1=C(C)C=CC=C1 78540 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.201 C[C@H](NC(N)=S)C1=C(F)C=CC=C1 F50237 [0,1,0,0,0,0|2,1,0]=4 26 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 N13091 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 N10811 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 N12341 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.713 NC[C@H](CC(=O)O)C1=CC=NC=C1 91627 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.10 O=C1CCC(C2=CC=NC=C2)N1 91626 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 C15346 [0,0,0,1,0,0|1,0,0]=2 32 B13R2.328 CC1=CC2=CC=CC=C2C(C)=C1 T71081 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.423 O=[N+]([O-])[C@H]1CC1C2=CC=CC=C2 P14853 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 63680 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,0,0,0,1,0|2,0,0]=3 38 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,0,0,0,1,0|1,0,0]=2 39 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,0,0,0,1,0|1,0,2]=4 40 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,0,0,0,1,0|1,0,2]=4 41 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,0,0,0,1,0|1,0,2]=4 42 B11R1.36 C[C@@H](C(=O)[O-])C1=NC=CN=C1 97744 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,0,0,0,1,0|1,0,2]=4 44 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,0,0,0,1,0|1,0,2]=4 45 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT10021 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 F15634 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.77 CC(=O)OC(C)=C1C=CC=C1 W17975 [0,0,0,0,1,0|0,0,1]=2 50 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 A50922 [0,0,0,0,0,1|2,0,1]=4 51 B13R1.45 CC(=O)OCC(=O)C1=CN=CC=C1 74769 [0,0,0,0,0,1|2,0,1]=4 52 B13R1.45 CC(=O)OCC(=O)C1=NC=CC=C1 E70259 [0,0,0,0,0,1|2,0,1]=4 53 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10006 [0,0,0,0,0,1|3,0,0]=4 54 B13R1.348 CC(=O)CC(=O)OC1=CC=CC=C1 F12019 [0,0,0,0,0,1|2,0,1]=4 55 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [2,0,0,0,0,0|0,0,0]=2 59 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [2,0,0,0,0,0|0,0,0]=2 60 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12299 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12300 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.34 CCC(=O)[C@H](C)C1=CC=CC=C1 F30714 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [1,1,0,0,0,0|0,0,1]=3 75 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [1,1,0,0,0,0|0,0,2]=4 76 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [1,1,0,0,0,0|0,1,0]=3 79 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.226 CC(=O)NNC1=CC=CC(Cl)=C1 C14571 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 F20261 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.891 CS(=O)(=O)OCC1=NC=CC=C1 92886 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 H11214 [0,1,0,0,1,0|1,0,1]=4 87 B12R1.20 CC(=O)C(=O)C1=CC=C(C)C=C1 H11218 [0,1,0,0,1,0|1,0,1]=4 88 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Br)C=C1 N15666 [0,1,0,0,1,0|1,0,0]=3 89 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,1,0,0,1,0|1,0,0]=3 90 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N15653 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,1,0,0,1,0|1,0,0]=3 92 B12R1.20 CC(=O)[C@H](N)C1=CC=C(N)C=C1 N16145 [0,1,0,0,1,0|1,0,0]=3 93 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [0,1,0,0,1,0|2,0,0]=4 94 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 95 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,1,0,0,1,0|1,0,0]=3 96 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)N(C)C N11474 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.124 CC(=O)N(C)C1=C(Br)C=CC=C1 F53216 [0,1,0,0,1,0|1,0,0]=3 104 B12R1.124 CC(=O)[C@H](N)C1=C(Br)C=CC=C1 N15545 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 N15524 [0,1,0,0,1,0|1,0,0]=3 106 B12R1.124 CC(=O)[C@H](N)C1=C(Cl)C=CC=C1 N15542 [0,1,0,0,1,0|1,0,0]=3 107 B12R1.124 CC(=O)[C@H](N)C1=C(F)C=CC=C1 N15536 [0,1,0,0,1,0|1,0,0]=3 108 B12R1.124 CC1=C([C@@H](C)C(=O)O)C=CN=C1 F53684 [0,1,0,0,1,0|2,0,0]=4 109 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12290 [0,1,0,0,1,0|2,0,0]=4 110 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12294 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A50300 [0,1,0,0,1,0|2,0,0]=4 112 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 D84116 [0,1,0,0,1,0|2,0,0]=4 113 B12R1.124 O=C(O)[C@H](F)C1=C(F)C=CC=C1 98563 [0,1,0,0,1,0|2,0,0]=4 114 B12R1.225 CC(=O)[C@H](N)C1=CC(N)=CC=C1 N16146 [0,1,0,0,1,0|1,0,0]=3 115 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Br)=C1 N15613 [0,1,0,0,1,0|1,0,0]=3 116 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Cl)=C1 N15638 [0,1,0,0,1,0|1,0,0]=3 117 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(F)=C1 N15639 [0,1,0,0,1,0|1,0,0]=3 118 B12R1.225 CC1=CC=CC([C@@H](F)C(=O)O)=C1 98550 [0,1,0,0,1,0|2,0,0]=4 119 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N12267 [0,1,0,0,1,0|2,0,0]=4 120 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 N10973 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 AC3213 [0,1,0,0,1,0|2,0,0]=4 122 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AC7657 [0,1,0,0,1,0|2,0,0]=4 123 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11689 [0,1,0,0,1,0|2,0,0]=4 124 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Br)=C1 98544 [0,1,0,0,1,0|2,0,0]=4 125 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(F)=C1 98545 [0,1,0,0,1,0|2,0,0]=4 126 B12R1.225 O=C(O)[C@H](O)C1=CC(O)=CC=C1 A12143 [0,1,0,0,1,0|2,0,0]=4 127 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(I)=C1 C90764 [0,1,0,0,1,0|2,0,0]=4 128 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 AT22669 [0,1,0,0,1,0|0,0,0]=2 129 B12R1.253 CC(C)(C(=O)O)C1=CC=NC=C1 F53688 [0,1,0,0,1,0|2,0,0]=4 130 B12R1.253 CC(C)(C(=O)O)C1=CN=CC=C1 AC4673 [0,1,0,0,1,0|2,0,0]=4 131 B12R1.253 CC(C)(C(=O)O)C1=NC=CC=C1 W18314 [0,1,0,0,1,0|2,0,0]=4 132 B12R1.253 CC(C)(C(=O)[O-])C1=CC=NC=C1 AT18198 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 41030 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.253 C[C@](N)(C(=O)O)C1=CC=NC=C1 W15225 [0,1,0,0,1,0|2,0,0]=4 135 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 91032 [0,1,0,0,1,0|1,0,0]=3 136 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86645 [0,1,0,0,1,0|1,0,0]=3 137 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 A50497 [0,1,0,0,1,0|1,0,0]=3 138 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15100 [0,1,0,0,1,0|1,0,0]=3 139 B14R1.160 CC(=O)OCC(=O)C1=C(Cl)C=CC=C1 AC2753 [0,1,0,0,0,1|1,0,1]=4 140 B14R1.743 COC(=O)C[C@H](N)CC1=CC=CC=C1 F20090 [0,1,0,0,0,1|2,0,0]=4 141 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 F16856 [0,2,0,0,0,0|2,0,0]=4 142 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 F16903 [0,2,0,0,0,0|2,0,0]=4 143 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(C)C=C1 N12585 [0,2,0,0,0,0|2,0,0]=4 144 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 F16899 [0,2,0,0,0,0|2,0,0]=4 145 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(F)C=C1 N16391 [0,2,0,0,0,0|2,0,0]=4 146 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(F)C=C1 N16402 [0,2,0,0,0,0|2,0,0]=4 147 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(F)C=C1 N16413 [0,2,0,0,0,0|2,0,0]=4 148 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(O)C=C1 F16918 [0,2,0,0,0,0|2,0,0]=4 149 B14R1.11 COC(=O)C[C@H](C)C1=CC=CC(Br)=C1 C92217 [0,2,0,0,0,0|1,0,0]=3 150 B14R1.11 COC(=O)C[C@H](C)C1=CC=CC(Br)=N1 C92218 [0,2,0,0,0,0|2,0,0]=4 151 B14R1.11 COC(=O)C[C@H](N)C1=CC(C)=CC=C1 N12606 [0,2,0,0,0,0|2,0,0]=4 152 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Br)=C1 55921 [0,2,0,0,0,0|2,0,0]=4 153 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Br)=C1 N12841 [0,2,0,0,0,0|2,0,0]=4 154 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Br)=C1 N16765 [0,2,0,0,0,0|2,0,0]=4 155 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Br)=C1 N16775 [0,2,0,0,0,0|2,0,0]=4 156 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Cl)=C1 N12605 [0,2,0,0,0,0|2,0,0]=4 157 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Cl)=C1 N16544 [0,2,0,0,0,0|2,0,0]=4 158 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Cl)=C1 N16555 [0,2,0,0,0,0|2,0,0]=4 159 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Cl)=C1 N16566 [0,2,0,0,0,0|2,0,0]=4 160 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(F)=C1 N16369 [0,2,0,0,0,0|2,0,0]=4 161 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(F)=C1 N16380 [0,2,0,0,0,0|2,0,0]=4 162 B14R1.11 COC(=O)C[C@H](O)C1=CC=CC(Br)=C1 E71628 [0,2,0,0,0,0|2,0,0]=4 163 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 N12672 [0,2,0,0,0,0|2,0,0]=4 164 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 AC7549 [0,2,0,0,0,0|1,0,0]=3 165 B14R1.29 C[C@H](NC(=O)CC#N)C1=CC=CC=C1 E72138 [0,2,0,0,0,0|1,0,0]=3 166 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 F19536 [0,2,0,0,0,0|2,0,0]=4 167 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 F19537 [0,2,0,0,0,0|2,0,0]=4 168 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 P13871 [0,2,0,0,0,0|2,0,0]=4 169 B14R1.587 COC(=O)C[C@H](N)C1=C(C)C=CC=C1 N12842 [0,2,0,0,0,0|2,0,0]=4 170 B14R1.587 COC(=O)C[C@H](N)C1=C(Cl)C=CC=C1 N12670 [0,2,0,0,0,0|2,0,0]=4 171 B14R1.587 COC(=O)C[C@H](N)C1=C(Cl)C=CC=C1 N16522 [0,2,0,0,0,0|2,0,0]=4 172 B14R1.587 COC(=O)C[C@H](N)C1=C(Cl)C=CC=C1 N16533 [0,2,0,0,0,0|2,0,0]=4 173 B14R1.587 COC(=O)C[C@H](N)C1=C(F)C=CC=C1 I11626 [0,2,0,0,0,0|2,0,0]=4 174 B14R1.587 COC(=O)C[C@H](N)C1=C(F)C=CC=C1 N10921 [0,2,0,0,0,0|2,0,0]=4 175 B14R1.1019 CC1=CC=C([C@H](CN)CC(=O)O)C=C1 F21327 [0,2,0,0,0,0|2,0,0]=4 176 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(Br)C=C1 91623 [0,2,0,0,0,0|2,0,0]=4 177 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 39287 [0,2,0,0,0,0|2,0,0]=4 178 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 39288 [0,2,0,0,0,0|2,0,0]=4 179 B14R1.1020 CC[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC4448 [0,2,0,0,0,0|2,0,0]=4 180 B14R1.5805 CC(=O)NC(C)(C)C1=C(Cl)C=CC=C1 D87502 [0,2,0,0,0,0|1,0,0]=3 181 B14R1.5805 CC(=O)NC(C)(C)C1=C(Cl)C=CC=C1 D87976 [0,2,0,0,0,0|1,0,0]=3 182 B12R2.2 C1=CC=C(C2OCCO2)C=C1 H10024 [1,0,0,1,0,0|1,0,1]=4 183 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 C14865 [1,0,0,1,0,0|2,0,0]=4 184 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E70057 [1,0,0,1,0,0|2,0,0]=4 185 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [1,0,0,1,0,0|2,0,0]=4 186 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [1,0,0,1,0,0|1,0,0]=3 187 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [1,0,0,1,0,0|1,0,0]=3 188 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [1,0,0,1,0,0|2,0,0]=4 189 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [1,0,0,1,0,0|2,0,0]=4 190 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [1,0,0,1,0,0|2,0,0]=4 191 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [1,0,0,1,0,0|2,0,0]=4 192 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [1,0,0,1,0,0|2,0,0]=4 193 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [1,0,0,1,0,0|1,0,0]=3 194 B12R2.24 O=C1NC2=C(C=CC=N2)CO1 AC7037 [1,0,0,1,0,0|2,0,0]=4 195 B12R2.24 O=C1NC2=C(C=CN=C2)CO1 AC5095 [1,0,0,1,0,0|2,0,0]=4 196 B14R2.68 CC1COC(C2=CC=CC=C2)CN1 F17617 [0,0,0,1,0,1|1,0,1]=4 197 B14R2.68 CC1COC(C2=CC=CC=C2)CN1 F18861 [0,0,0,1,0,1|1,0,1]=4 198 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F18847 [0,0,0,1,0,1|1,0,1]=4 199 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F19008 [0,0,0,1,0,1|1,0,1]=4 200 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F19009 [0,0,0,1,0,1|1,0,1]=4 201 B14R2.68 C[C@H]1CO[C@H](C2=CC=CC=C2)CN1 F19007 [0,0,0,1,0,1|1,0,1]=4 202 B14R2.68 C[C@H]1CO[C@H](C2=CC=CC=C2)CN1 F19010 [0,0,0,1,0,1|1,0,1]=4 203 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 T70008 [0,0,0,1,0,1|1,0,1]=4 204 B14R2.68 O=C1CCC(C2=CC=NC=C2)CC1 C91035 [0,0,0,1,0,1|2,0,0]=4 205 B14R2.68 O=C1CCC(C2=CN=CC=C2)CC1 C91031 [0,0,0,1,0,1|2,0,0]=4 206 B14R2.68 O=C1CCC(C2=NC=CC=C2)CC1 C91030 [0,0,0,1,0,1|2,0,0]=4 207 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 F13287 [0,0,0,1,0,1|2,0,0]=4 208 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77665 [0,0,0,1,0,1|1,0,0]=3 209 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P18324 [0,0,0,1,0,1|1,0,0]=3 210 B14R2.19 O=C1C=C(CC2=CC=CC=C2)CC1 87682 [0,0,0,1,0,1|1,0,1]=4 211 B14R2.19 O=C1CC[C@H](CC2=CC=CC=C2)C1 33453 [0,0,0,1,0,1|1,0,0]=3 212 B14R2.19 O=C1CC\[N+](=C/C2=CC=CC=C2)[N-]1 I11827 [0,0,0,1,0,1|2,0,0]=4 213 B14R2.21 CC1CNCC(C2=CC=CC=C2)O1 F18853 [0,1,0,1,0,0|1,0,1]=4 214 B14R2.21 C[C@@H]1CNC[C@@H](C2=CC=CC=C2)O1 F18886 [0,1,0,1,0,0|1,0,1]=4 215 B14R2.21 C[C@H]1CNCC(C2=CC=CC=C2)O1 F18909 [0,1,0,1,0,0|1,0,1]=4 216 B14R2.21 C[C@H]1CNCC(C2=CC=CC=C2)O1 F18910 [0,1,0,1,0,0|1,0,1]=4 217 B14R2.21 C[C@H]1CNC[C@@H](C2=CC=CC=C2)O1 F19004 [0,1,0,1,0,0|1,0,1]=4 218 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 54499 [0,1,0,1,0,0|1,0,1]=4 219 B14R2.21 O=C1CCCN(C2=CC=CC=C2)C1 29248 [0,1,0,1,0,0|2,0,0]=4 220 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)N1 C15767 [0,1,0,1,0,0|1,0,0]=3 221 B14R2.21 O=C1CCN[C@H](C2=CC=CC=C2)C1 S11348 [0,1,0,1,0,0|1,0,0]=3 222 B14R2.21 O=C1COC[C@@H](C2=CN=CC=C2)N1 F13764 [0,1,0,1,0,0|2,0,0]=4 223 B14R2.21 O=C1C[C@@H](C2=CC=CC=C2)CCN1 P10604 [0,1,0,1,0,0|1,0,0]=3 224 B14R2.958 COC(=O)C1CC1C2=CC=CC=C2 AT11593 [0,1,0,1,0,0|1,0,0]=3 225 B14R2.958 COC(=O)C1NC1C2=CC=CC=C2 AC4801 [0,1,0,1,0,0|2,0,0]=4 226 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 AC6025 [0,1,0,1,0,0|2,0,0]=4 227 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AC8629 [0,1,0,1,0,0|1,0,0]=3 228 B14R2.20 CC1=CC=C([C@@H]2CNC(=O)C2)C=C1 65774 [0,1,0,1,0,0|2,0,0]=4 229 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92458 [0,1,0,1,0,0|1,0,0]=3 230 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92463 [0,1,0,1,0,0|1,0,0]=3 231 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)N1 91622 [0,1,0,1,0,0|1,0,0]=3 232 B14R2.20 O=C1CCC(C2=CC=C(Cl)C=C2)N1 91621 [0,1,0,1,0,0|1,0,0]=3 233 B14R2.20 O=C1CC[C@@H](C2=CC=C(Cl)C=C2)N1 C15480 [0,1,0,1,0,0|1,0,0]=3 234 B14R2.20 O=C1CC[C@H](C2=CC=C(Br)C=C2)C1 94439 [0,1,0,1,0,0|1,0,0]=3 235 B14R2.20 O=C1CC[C@H](C2=CC=C(Br)C=C2)C1 94442 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 C92460 [0,1,0,1,0,0|1,0,0]=3 237 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 C92461 [0,1,0,1,0,0|1,0,0]=3 238 B14R2.20 O=C1C[C@H](C2=CC=C(Br)C=C2)CN1 65769 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65754 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.20 O=C1N[C@H](C2=CC=C(Br)C=C2)CO1 C77587 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 F51901 [0,1,0,1,0,0|2,0,0]=4 242 B14R2.4402 NC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AT24982 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AC9688 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 C92465 [0,1,0,1,0,0|1,0,0]=3 245 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 C92467 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.22 NC1=CC=CC([C@@H]2CNC(=O)C2)=C1 65777 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 94459 [0,1,0,1,0,0|1,0,0]=3 248 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 94464 [0,1,0,1,0,0|1,0,0]=3 249 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 AT13918 [0,1,0,1,0,0|1,0,0]=3 250 B14R2.22 O=C1CC[C@H](C2=CC=CC(Cl)=C2)C1 53472 [0,1,0,1,0,0|1,0,0]=3 251 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 53468 [0,1,0,1,0,0|1,0,0]=3 252 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 C92468 [0,1,0,1,0,0|1,0,0]=3 253 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 C92471 [0,1,0,1,0,0|1,0,0]=3 254 B14R2.22 O=C1C[C@H](C2=CC=CC(Cl)=C2)CN1 65766 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.22 O=C1C[C@H](C2=CC=CC(F)=C2)CN1 65764 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.22 O=C1NC[C@@H](C2=CC=CC(Br)=C2)O1 W10425 [0,1,0,1,0,0|1,0,0]=3 257 B14R2.22 O=C1N[C@H](C2=CC=CC(Br)=C2)CO1 C77588 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.4476 CC1=CC=CC([C@H]2C[C@@H]2C(=O)O)=C1 AC8796 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.4476 CC1=CC=CC([C@H]2C[C@@H]2C(=O)O)=C1 AC9715 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(O)=CC=C2 AT20426 [0,1,0,1,0,0|2,0,0]=4 261 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Br)=C2 AC9627 [0,1,0,1,0,0|2,0,0]=4 262 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC8358 [0,1,0,1,0,0|2,0,0]=4 263 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 P18652 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.8235 O=C1CC2=C(C=C(Br)C=C2)C(=O)O1 A51200 [0,1,0,1,0,0|1,0,1]=4 265 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C P10161 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.786 C[C@]1(C(=O)O)C[C@@H]1C2=CC=CC=C2 AT16847 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.2 CC(=O)OC1=CSC2=C1C=CC=C2 AC9432 [0,1,0,1,0,0|0,0,2]=4 268 B14R2.2 CC(=O)O[C@H]1CCC2=C1C=CC=C2 T70688 [0,1,0,1,0,0|0,0,0]=2 269 B14R2.2 O=C(O)C[C@H]1COC2=C1C=CC=C2 AC6774 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.256 CC1=C([C@H]2CCC(=O)C2)C=CC=C1 C92464 [0,1,0,1,0,0|1,0,0]=3 271 B14R2.256 CC1=C([C@H]2CCC(=O)C2)C=CC=C1 C92466 [0,1,0,1,0,0|1,0,0]=3 272 B14R2.256 O=C1CC[C@H](C2=C(Cl)C=CC=C2)C1 53471 [0,1,0,1,0,0|1,0,0]=3 273 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 C92469 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 C92470 [0,1,0,1,0,0|1,0,0]=3 275 B14R2.256 O=C1NC[C@@H](C2=C(Br)C=CC=C2)O1 W10421 [0,1,0,1,0,0|1,0,0]=3 276 B14R2.5443 CC1=C([C@H]2C[C@@H]2C(=O)O)C=CC=C1 AC7993 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,0,0,0,1,0|1,0,0]=3 278 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,0,0,0,1,0|0,0,2]=4 279 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,0,0,0,1,0|0,0,2]=4 280 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [1,0,0,0,1,0|2,0,0]=4 281 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,0,0,0,1,0|2,0,0]=4 282 B10R1.23 C[C@@H](C(=O)O)C1=CC=CO1 AT17464 [0,0,0,0,2,0|2,0,0]=4 283 B10R1.23 C[C@@H](C(=O)O)C1=CC=CS1 AT16728 [0,0,0,0,2,0|2,0,0]=4 284 B10R1.23 C[C@@H](C(=O)O)C1=CSC=C1 AT17090 [0,0,0,0,2,0|2,0,0]=4 285 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [1,0,0,0,0,1|2,0,0]=4 286 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [1,0,0,0,0,1|2,0,0]=4 287 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [1,0,0,0,0,1|1,0,1]=4 288 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [1,0,0,0,0,1|1,0,1]=4 289 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [1,0,0,0,0,1|2,0,0]=4 290 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 A51013 [0,0,0,0,0,2|1,0,1]=4 291 B14R1.423 C[C@@H](CC1=CC=CC=C1)NCC(=O)O F19928 [0,0,0,0,0,2|2,0,0]=4