0 B14R1.686 CC1=C(C)C=C(NC(C)C(=O)O)C=C1 D8739 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.686 NC(CC1=CC=C(F)C(F)=C1)C(=O)O D0998 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H8280 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T2383 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O F2315 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O I0355 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A5097 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O B10803 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C0354 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F6348 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O I6328 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T19184 [1,0,0,0,0,0|0,0,0]=1 14 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O B10804 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C9004 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O F8323 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T6097 [1,0,0,0,0,0|0,0,0]=1 18 B13R1.148 CC(OC1=CC=CC(Cl)=C1)C(=O)O C3259 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O T19073 [1,0,0,0,0,0|0,0,0]=1 20 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O F8327 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O F8326 [1,0,0,0,0,0|1,0,0]=2 22 B13R1.511 CC1=C(C)C=C(OCC(=O)O)C=C1 D8212 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 A14459 [1,0,0,0,0,0|1,0,0]=2 24 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 D8276 [1,0,0,0,0,0|0,0,0]=1 25 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 D8445 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C0217 [1,0,0,0,0,0|0,0,2]=3 27 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C0217 [1,0,0,0,0,0|0,0,2]=3 28 B15R1.676 NCC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)O A14555 [0,1,0,0,0,0|2,0,0]=3 29 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC(O)=C(O)C=C1 D9593 [0,1,0,0,0,0|0,0,0]=1 30 B15R1.11316 CC(N)(CC1=CC(O)=C(O)C=C1)C(=O)O M4609 [0,1,0,0,0,0|0,0,0]=1 31 B15R1.11316 CC(N)(CC1=CC(O)=C(O)C=C1)C(=O)O M4609 [0,1,0,0,0,0|0,0,0]=1 32 B15R1.11316 C[C@](N)(CC1=CC=C(O)C(O)=C1)C(=O)O M1253 [0,1,0,0,0,0|0,0,0]=1 33 B15R1.11316 C[C@](N)(CC1=CC=C(O)C(O)=C1)C(=O)O M6263 [0,1,0,0,0,0|0,0,0]=1 34 B15R1.11316 C[C@](N)(CC1=CC=C(O)C(O)=C1)C(=O)O M6263 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.510 O=C(O)C(O)C1=CC=C(F)C(F)=C1 D0332 [0,0,0,0,1,0|3,0,0]=4 36 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 B1089 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 F5239 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 I0062 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 C13273 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [2,0,0,0,0,0|0,0,2]=4 47 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O P0034 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [2,0,0,0,0,0|0,0,0]=2 50 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P0032 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P7721 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P7717 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [2,0,0,0,0,0|0,0,0]=2 54 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O P7716 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P0033 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O P7720 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.226 NC1=NC(CCC(=O)O)=CC=C1 A14728 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [2,0,0,0,0,0|0,0,0]=2 62 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 C17836 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 F17844 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 H4009 [2,0,0,0,0,0|0,0,2]=4 67 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M8809 [1,1,0,0,0,0|0,0,0]=2 68 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M5028 [1,1,0,0,0,0|0,0,0]=2 69 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 T10362 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 C12691 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.132 O=C(O)C(=O)C(O)C1=CC=C(O)C=C1 D11716 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 M8849 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T8807 [1,1,0,0,0,0|0,0,0]=2 74 B14R1.536 CC1=CC=C(CC(CN)C(=O)O)C=C1 A14554 [1,1,0,0,0,0|1,0,0]=3 75 B14R1.536 N#CC(CC1=CC=C(Br)C=C1)C(=O)O B18438 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.536 NCC(CC1=CC=C(Br)C=C1)C(=O)O A18173 [1,1,0,0,0,0|1,0,0]=3 77 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O A18176 [1,1,0,0,0,0|1,0,0]=3 78 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O D9075 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.6049 NC(CC1=C(F)C=C(O)C=C1)C(=O)O A14565 [1,1,0,0,0,0|0,0,0]=2 80 B14R1.7626 CC(O)(CC1=CC=C(F)C=C1)C(=O)O F6800 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O A8814 [1,1,0,0,0,0|0,0,0]=2 82 B14R1.542 CCC(CC1=CC(O)=CC=C1)C(=O)O H14858 [1,1,0,0,0,0|1,0,0]=3 83 B14R1.542 N#CC(CC1=CC=CC(Br)=C1)C(=O)O B18439 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.542 NCC(CC1=CC=CC(Br)=C1)C(=O)O A18174 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O D9078 [1,1,0,0,0,0|1,0,0]=3 86 B14R1.4404 C[C@@](N)(CC1=CC(Br)=CC=C1)C(=O)O A16687 [1,1,0,0,0,0|1,0,0]=3 87 B14R1.4474 NC(CC1=C(F)C=CC(F)=C1)C(=O)O D9076 [1,1,0,0,0,0|1,0,0]=3 88 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O F0218 [1,1,0,0,0,0|0,0,2]=4 89 B14R1.41 COC1=C(O)C=CC(C(N)C(=O)O)=C1 A14544 [0,1,0,0,1,0|0,0,0]=2 90 B14R1.1032 NCC(C(=O)O)C1=CC(Cl)=C(Cl)C=C1 A14561 [0,1,0,0,1,0|2,0,0]=4 91 B16R1.94545 C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(=O)O C4918 [0,2,0,0,0,0|0,0,0]=2 92 B16R1.94545 C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(=O)O C4918 [0,2,0,0,0,0|0,0,0]=2 93 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC D7199 [0,2,0,0,0,0|0,0,0]=2 94 B16R1.1058 N[C@@H](CC1=CC=C(O)C([N+](=O)[O-])=C1)C(=O)O N5376 [0,2,0,0,0,0|0,0,1]=3 95 B16R1.1627 COC(=O)[C@@H](N)CC1=CC(I)=C(O)C(I)=C1 D11794 [0,2,0,0,0,0|1,0,0]=3 96 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H14876 [1,0,0,1,0,0|0,0,2]=4 97 B14R2.4513 O=C1C=CC2=C(O1)C(O)=C(O)C=C2 D5659 [1,0,0,1,0,0|0,0,2]=4 98 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 A15457 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 M7642 [1,0,0,0,1,0|2,0,0]=4 100 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 H15811 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 C8423 [1,0,0,0,1,0|1,0,0]=3 102 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [1,0,0,0,1,0|1,0,0]=3 103 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [1,0,0,0,1,0|1,0,0]=3 104 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 F7800 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 H7018 [1,0,0,0,1,0|0,0,0]=2 106 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A8426 [1,0,0,0,1,0|1,0,0]=3 107 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 F7801 [1,0,0,0,1,0|1,0,0]=3 108 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [1,0,0,0,1,0|0,0,0]=2 109 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [1,0,0,0,1,0|0,0,0]=2 110 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 B5333 [1,0,0,0,1,0|2,0,0]=4 111 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 M6928 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.225 CC(C(=O)O)C1=CC=CC(Cl)=C1 C8387 [1,0,0,0,1,0|2,0,0]=4 115 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 A15379 [1,0,0,0,1,0|1,0,0]=3 116 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 A13598 [1,0,0,0,1,0|1,0,0]=3 117 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 A15382 [1,0,0,0,1,0|1,0,0]=3 118 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 A13194 [1,0,0,0,1,0|0,0,0]=2 119 B12R1.225 N[C@H](C(=O)O)C1=CC(F)=CC=C1 A12800 [1,0,0,0,1,0|1,0,0]=3 120 B12R1.225 O=C(O)C(O)C1=CC(Br)=CC=C1 B10335 [1,0,0,0,1,0|2,0,0]=4 121 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O T0363 [1,0,0,0,0,1|0,0,0]=2