0 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.43 CC(CC1=CC=NC=N1)C(=O)O M14751 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O M14643 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 H7718 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O P0034 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P0032 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P7721 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P7717 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [0,0,0,0,0,0|1,0,1]=2 10 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O P7716 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P0033 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O P7720 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [0,0,0,0,0,0|0,0,2]=2 14 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [0,0,0,0,0,0|0,0,2]=2 15 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [0,0,0,0,0,0|0,0,1]=1 16 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 B0897 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.40 N\C(CC1=NC=CC=C1)=N\O H13806 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 P4462 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,0,0,0,0,0|0,0,1]=2 25 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.91 O=C(O)CCC1=NC=CC=N1 P14965 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.91 O=C(O)CSC1=CC=NC=C1 P3183 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P14394 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 P14396 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 S7823 [1,0,0,0,0,0|0,0,2]=3 33 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H8280 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T2383 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O F2315 [0,1,0,0,0,0|1,0,1]=3 36 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O I0355 [0,1,0,0,0,0|1,0,1]=3 37 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A5097 [0,1,0,0,0,0|1,0,1]=3 38 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O B10803 [0,1,0,0,0,0|1,0,1]=3 39 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C0354 [0,1,0,0,0,0|1,0,1]=3 40 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F6348 [0,1,0,0,0,0|1,0,1]=3 41 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O I6328 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T19184 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O B10804 [0,1,0,0,0,0|1,0,1]=3 44 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C9004 [0,1,0,0,0,0|1,0,1]=3 45 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O F8323 [0,1,0,0,0,0|1,0,1]=3 46 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T6097 [0,1,0,0,0,0|1,0,1]=3 47 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,0,0,0,0|1,0,1]=3 49 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M8214 [0,1,0,0,0,0|0,0,2]=3 51 B13R1.148 CC(OC1=CC=CC(Cl)=C1)C(=O)O C3259 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O T19073 [0,1,0,0,0,0|1,0,1]=3 53 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O F8327 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O F8326 [0,1,0,0,0,0|1,0,1]=3 55 B13R1.152 CC(C1=CC=CC=C1)[C@H](N)C(=O)O A12805 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.152 NC(C1=CC=CN=C1)C(O)C(=O)O A14531 [0,1,0,0,0,0|1,0,2]=4 57 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O F8325 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O F8324 [0,1,0,0,0,0|1,0,1]=3 59 B13R1.418 N#C\C(=C/C1=CC=CN=C1)C(=O)O C7987 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O M13973 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O M8177 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O M8176 [0,1,0,0,0,0|1,0,1]=3 63 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A17997 [0,0,0,1,0,0|1,1,1]=4 64 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 A7495 [0,0,0,1,0,0|3,0,0]=4 65 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 B8234 [0,0,0,1,0,0|1,0,2]=4 66 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B8128 [0,0,0,1,0,0|0,1,1]=3 67 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 I0452 [0,0,0,1,0,0|1,0,1]=3 68 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 I15232 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 B18340 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 B16708 [0,0,0,1,0,0|1,0,1]=3 71 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 I7021 [0,0,0,1,0,0|1,0,1]=3 72 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 I4785 [0,0,0,1,0,0|1,0,1]=3 73 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 I7230 [0,0,0,1,0,0|1,0,1]=3 74 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,0,0,0,1,0|1,0,0]=2 75 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,0,0,0,1,0|1,0,0]=2 76 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,0,0,0,1,0|2,0,1]=4 77 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,0,0,0,1,0|2,0,1]=4 78 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [0,0,0,0,1,0|1,0,1]=3 79 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 A14115 [0,0,0,0,1,0|2,0,1]=4 80 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 A15477 [0,0,0,0,1,0|2,0,1]=4 81 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 P6188 [0,0,0,0,1,0|1,0,1]=3 82 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,0,0,0,1,0|1,0,1]=3 83 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,0,0,0,1,0|1,0,1]=3 84 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,0,0,0,1,0|0,0,2]=3 85 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,0,0,0,1,0|0,0,2]=3 86 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [0,0,0,0,1,0|0,0,2]=3 87 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [0,0,0,0,0,1|1,0,1]=3 88 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [0,0,0,0,0,1|1,0,1]=3 89 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A6347 [0,0,0,0,0,1|2,0,1]=4 90 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7011 [0,0,0,0,0,1|1,0,1]=3 91 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7193 [0,0,0,0,0,1|1,0,1]=3 92 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O P4972 [0,0,0,0,0,1|1,0,1]=3 93 B13R1.351 N[C@@H](\C=C\C1=CC=CC=C1)C(=O)O A12821 [0,0,0,0,0,1|1,0,2]=4 94 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O H8174 [0,0,0,0,0,1|1,0,1]=3 95 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O A8905 [0,0,0,0,0,1|1,0,1]=3 96 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [0,0,0,0,0,1|0,0,2]=3 97 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [0,0,0,0,0,1|0,0,2]=3 98 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.18 O=C(O)CC1=NC=CC=N1 P14936 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.32 CNCC(=O)CC1=CC=CC=C1 M5866 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.34 CN(C(=O)CO)C1=CC=CC=C1 H1068 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.34 CNC(=O)C(Br)C1=CC=CC=C1 B18458 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 M8386 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 P2153 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 F15737 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 M7638 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 A17809 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M7703 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N\O B10269 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N\O C13730 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.50 C=CC(=O)CC1=CC(F)=CC=C1 F15736 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 B14248 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.371 COC(=O)CC1=CC=CC=C1O H15810 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [1,1,0,0,0,0|0,0,1]=3 121 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 A17898 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [1,1,0,0,0,0|0,0,1]=3 123 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [1,1,0,0,0,0|0,0,1]=3 124 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [1,1,0,0,0,0|0,0,1]=3 125 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [1,1,0,0,0,0|0,0,1]=3 126 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [1,1,0,0,0,0|0,0,1]=3 127 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 B1089 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 F5239 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 I0062 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 C13273 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [1,1,0,0,0,0|0,0,1]=3 132 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [1,1,0,0,0,0|0,0,1]=3 133 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 A1934 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 A14509 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 A14654 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [1,1,0,0,0,0|0,0,1]=3 140 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 A1932 [1,1,0,0,0,0|1,0,1]=4 141 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 A1933 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [1,1,0,0,0,0|0,0,1]=3 143 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 M7536 [1,1,0,0,0,0|0,0,1]=3 144 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 A14657 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.125 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1 C9064 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.125 O=C(O)CCC1=CC=CC=C1Br B10264 [1,1,0,0,0,0|0,0,1]=3 147 B12R1.125 O=C(O)CCC1=CC=CC=C1F F2686 [1,1,0,0,0,0|0,0,1]=3 148 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H7620 [1,1,0,0,0,0|0,0,1]=3 149 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl C1634 [1,1,0,0,0,0|0,0,1]=3 150 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F F2690 [1,1,0,0,0,0|0,0,1]=3 151 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [1,1,0,0,0,0|0,0,1]=3 152 B12R1.226 NC1=NC(CCC(=O)O)=CC=C1 A14728 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [1,1,0,0,0,0|0,0,1]=3 154 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [1,1,0,0,0,0|0,0,1]=3 155 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [1,1,0,0,0,0|0,0,1]=3 156 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 C17836 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 F17844 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 C8303 [1,1,0,0,0,0|0,0,1]=3 159 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 B3797 [1,1,0,0,0,0|0,0,1]=3 160 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 F0985 [1,1,0,0,0,0|0,0,1]=3 161 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 H4009 [1,1,0,0,0,0|0,0,1]=3 162 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 C3480 [0,1,0,0,1,0|1,0,0]=3 163 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 A15457 [0,1,0,0,1,0|1,0,1]=4 164 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 M7642 [0,1,0,0,1,0|1,0,1]=4 165 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 H15811 [0,1,0,0,1,0|0,0,2]=4 166 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 C8423 [0,1,0,0,1,0|1,0,1]=4 167 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [0,1,0,0,1,0|1,0,1]=4 168 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [0,1,0,0,1,0|1,0,1]=4 169 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 F7800 [0,1,0,0,1,0|1,0,1]=4 170 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 H7018 [0,1,0,0,1,0|1,0,1]=4 171 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A8426 [0,1,0,0,1,0|1,0,1]=4 172 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 F7801 [0,1,0,0,1,0|1,0,1]=4 173 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [0,1,0,0,1,0|1,0,1]=4 174 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [0,1,0,0,1,0|1,0,1]=4 175 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 B5333 [0,1,0,0,1,0|0,0,2]=4 176 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 M6928 [0,1,0,0,1,0|0,0,2]=4 177 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [0,1,0,0,1,0|0,0,2]=4 178 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [0,1,0,0,1,0|0,0,2]=4 179 B12R1.124 CC(C(=O)O)C1=CC=CC=C1Cl C8390 [0,1,0,0,1,0|1,0,1]=4 180 B12R1.124 CC1=C([C@H](N)C(=O)O)C=CC=C1 A12803 [0,1,0,0,1,0|1,0,1]=4 181 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 C1482 [0,1,0,0,1,0|1,0,1]=4 182 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 C1482 [0,1,0,0,1,0|1,0,1]=4 183 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O H07290 [0,1,0,0,1,0|1,0,1]=4 184 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O H07290 [0,1,0,0,1,0|1,0,1]=4 185 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 A8425 [0,1,0,0,1,0|1,0,1]=4 186 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1Cl C17752 [0,1,0,0,1,0|1,0,1]=4 187 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Cl A2655 [0,1,0,0,1,0|1,0,1]=4 188 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 B3794 [0,1,0,0,1,0|1,0,1]=4 189 B12R1.124 O=C(O)C(F)C1=CC=CC=C1Br F10428 [0,1,0,0,1,0|1,0,1]=4 190 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Br B10336 [0,1,0,0,1,0|0,0,2]=4 191 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl C6929 [0,1,0,0,1,0|0,0,2]=4 192 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C0528 [0,1,0,0,1,0|0,0,2]=4 193 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl C6930 [0,1,0,0,1,0|0,0,2]=4 194 B12R1.225 CC(C(=O)O)C1=CC=CC(Cl)=C1 C8387 [0,1,0,0,1,0|1,0,1]=4 195 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 A15379 [0,1,0,0,1,0|1,0,1]=4 196 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 A13598 [0,1,0,0,1,0|1,0,1]=4 197 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 A15382 [0,1,0,0,1,0|1,0,1]=4 198 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 A13194 [0,1,0,0,1,0|1,0,1]=4 199 B12R1.225 N[C@H](C(=O)O)C1=CC(F)=CC=C1 A12800 [0,1,0,0,1,0|1,0,1]=4 200 B12R1.225 O=C(O)C(O)C1=CC(Br)=CC=C1 B10335 [0,1,0,0,1,0|0,0,2]=4 201 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 D2960 [0,1,0,0,1,0|1,0,1]=4 202 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 D2960 [0,1,0,0,1,0|1,0,1]=4 203 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 T7706 [0,1,0,0,1,0|0,0,2]=4 204 B14R1.337 CC(=O)CC(=O)NC1=C(Cl)C=CC=C1 C9523 [0,1,0,0,0,1|2,0,0]=4 205 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A17912 [0,1,0,0,0,1|1,0,1]=4 206 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A17912 [0,1,0,0,0,1|1,0,1]=4 207 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 O8685 [0,1,0,0,0,1|0,0,0]=2 208 B14R1.415 CC(C[C@H](N)C(=O)O)C1=CC=CC=C1 A12804 [0,1,0,0,0,1|1,0,1]=4 209 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O T0363 [0,1,0,0,0,1|1,0,1]=4 210 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 B13956 [0,1,0,0,0,1|0,0,2]=4 211 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M8809 [0,2,0,0,0,0|1,0,1]=4 212 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M5028 [0,2,0,0,0,0|1,0,1]=4 213 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 T10362 [0,2,0,0,0,0|1,0,1]=4 214 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 C12691 [0,2,0,0,0,0|1,0,1]=4 215 B14R1.132 O=C(O)C(=O)C(O)C1=CC=C(O)C=C1 D11716 [0,2,0,0,0,0|0,0,0]=2 216 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T8807 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.536 CC1=CC=C(CC(CN)C(=O)O)C=C1 A14554 [0,2,0,0,0,0|1,0,1]=4 218 B14R1.536 CC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 C8479 [0,2,0,0,0,0|1,0,1]=4 219 B14R1.536 N#CC(CC1=CC=C(Br)C=C1)C(=O)O B18438 [0,2,0,0,0,0|1,0,1]=4 220 B14R1.536 NCC(CC1=CC=C(Br)C=C1)C(=O)O A18173 [0,2,0,0,0,0|1,0,1]=4 221 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O A18176 [0,2,0,0,0,0|1,0,1]=4 222 B14R1.686 NC(CC1=CC=C(F)C(F)=C1)C(=O)O D0998 [0,2,0,0,0,0|1,0,1]=4 223 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [0,2,0,0,0,0|1,0,1]=4 224 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [0,2,0,0,0,0|1,0,1]=4 225 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O D9075 [0,2,0,0,0,0|1,0,1]=4 226 B14R1.6049 NC(CC1=C(F)C=C(O)C=C1)C(=O)O A14565 [0,2,0,0,0,0|1,0,1]=4 227 B14R1.7626 CC(O)(CC1=CC=C(F)C=C1)C(=O)O F6800 [0,2,0,0,0,0|0,0,2]=4 228 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O A8814 [0,2,0,0,0,0|1,0,1]=4 229 B14R1.1031 COC(=O)C(CN)CC1=CC=CC=C1 A15327 [0,2,0,0,0,0|1,0,1]=4 230 B14R1.542 CCC(CC1=CC(O)=CC=C1)C(=O)O H14858 [0,2,0,0,0,0|1,0,1]=4 231 B14R1.542 N#CC(CC1=CC=CC(Br)=C1)C(=O)O B18439 [0,2,0,0,0,0|1,0,1]=4 232 B14R1.542 NCC(CC1=CC=CC(Br)=C1)C(=O)O A18174 [0,2,0,0,0,0|1,0,1]=4 233 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O D9078 [0,2,0,0,0,0|1,0,1]=4 234 B14R1.4404 C[C@@](N)(CC1=CC(Br)=CC=C1)C(=O)O A16687 [0,2,0,0,0,0|1,0,1]=4 235 B14R1.4474 NC(CC1=C(F)C=CC(F)=C1)C(=O)O D9076 [0,2,0,0,0,0|1,0,1]=4 236 B14R1.6306 O=C(O)C(O)C(F)(F)C1=CC=CC=C1 D14776 [0,2,0,0,0,0|0,0,2]=4 237 B14R1.550 NCC(CC1=CC=CC=C1Br)C(=O)O A18175 [0,2,0,0,0,0|1,0,1]=4 238 B14R1.550 NCC(CC1=CC=CC=C1F)C(=O)O A18177 [0,2,0,0,0,0|1,0,1]=4 239 B14R1.5882 C[C@@](N)(CC1=C(Br)C=CC=C1)C(=O)O A16688 [0,2,0,0,0,0|1,0,1]=4 240 B14R1.5882 C[C@@](N)(CC1=C(I)C=CC=C1)C(=O)O A16689 [0,2,0,0,0,0|1,0,1]=4 241 B14R1.5971 NC(CC1=C(F)C=CC=C1F)C(=O)O D9077 [0,2,0,0,0,0|1,0,1]=4 242 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O I12742 [1,0,0,1,0,0|0,0,0]=2 243 B12R2.18 O=C1NC2=CC=CC=C2C1=O I0531 [1,0,0,1,0,0|1,0,0]=3 244 B12R2.24 O=C1CC2=CC=CC=C2CN1 D13329 [1,0,0,1,0,0|2,0,0]=4 245 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 I0657 [1,0,0,1,0,0|0,0,2]=4 246 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B7588 [1,0,0,1,0,0|1,1,0]=4 247 B12R2.32 ON=C1CC2=CC=CC=C2C1 I2106 [1,0,0,1,0,0|2,0,0]=4 248 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,1|1,0,1]=4 249 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,1|1,0,1]=4 250 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,1|1,0,1]=4 251 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,1|1,0,1]=4 252 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 N0909 [0,0,0,1,0,1|1,0,1]=4 253 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 Q7983 [0,0,0,1,0,1|1,0,1]=4 254 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 Q7983 [0,0,0,1,0,1|1,0,1]=4 255 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 Q4977 [0,0,0,1,0,1|1,0,1]=4 256 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 T9613 [0,0,0,1,0,1|1,0,1]=4 257 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 B3390 [0,0,0,1,0,1|0,0,2]=4 258 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 T3753 [0,0,0,1,0,1|1,0,1]=4 259 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 T8095 [0,0,0,1,0,1|1,0,1]=4 260 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 T7288 [0,0,0,1,0,1|1,0,1]=4 261 B14R2.9535 NC1(C(=O)O)CCC2=CC=CC=C21 A13054 [0,0,0,1,0,1|1,0,1]=4 262 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M19353 [0,1,0,1,0,0|1,0,1]=4 263 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 M11952 [0,1,0,1,0,0|1,0,1]=4 264 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=N2 A15310 [0,1,0,1,0,0|2,0,0]=4 265 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [0,1,0,1,0,0|1,0,1]=4 266 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [0,1,0,1,0,0|1,0,1]=4 267 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [0,1,0,1,0,0|1,0,1]=4 268 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [0,1,0,1,0,0|1,0,1]=4 269 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C3244 [0,1,0,1,0,0|1,0,1]=4 270 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C8872 [0,1,0,1,0,0|0,0,2]=4 271 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H8087 [0,1,0,1,0,0|1,0,1]=4 272 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 B1098 [0,1,0,1,0,0|1,0,1]=4 273 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2S1 C17837 [0,1,0,1,0,0|1,1,0]=4 274 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)C=C2N1 C16715 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 I7229 [0,1,0,1,0,0|1,0,1]=4 276 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O C7860 [0,1,0,1,0,0|1,0,1]=4 277 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 M8027 [0,1,0,1,0,0|1,0,1]=4 278 B14R2.7969 CC1=C2NC(C(=O)O)=CC2=CC=C1 M11953 [0,1,0,1,0,0|1,0,1]=4 279 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 F8850 [0,1,0,1,0,0|0,1,1]=4 280 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 C11951 [0,1,0,1,0,0|1,0,1]=4 281 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F11947 [0,1,0,1,0,0|1,0,1]=4 282 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H14876 [0,1,0,1,0,0|1,0,1]=4 283 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 M15872 [0,1,0,1,0,0|1,0,1]=4 284 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 M14783 [0,1,0,1,0,0|0,0,2]=4 285 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 C9577 [0,1,0,1,0,0|0,1,1]=4 286 B14R2.789 NC1(C(=O)O)CC2=CC=CC=C2C1 A13086 [0,1,0,1,0,0|1,0,1]=4 287 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [1,0,0,0,1,0|1,0,1]=4 288 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [1,0,0,0,1,0|1,0,1]=4 289 B10R1.15 N\C(=N\O)C1=CC=CC=C1 B13505 [1,0,0,0,1,0|2,0,0]=4 290 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [1,0,0,0,1,0|1,0,1]=4 291 B10R1.23 O=C(O)C(=O)C1=CC=CS1 T7418 [0,0,0,0,2,0|1,0,0]=3 292 B12R1.252 CC(=O)CSCC1=CC=CC=C1 B8221 [1,0,0,0,0,1|1,0,1]=4 293 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [1,0,0,0,0,1|1,0,1]=4 294 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [1,0,0,0,0,1|0,0,1]=3 295 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [1,0,0,0,0,1|0,0,1]=3 296 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 P11548 [0,0,0,0,0,2|2,0,0]=4 297 B14R1.423 O=C(O)\C=C\C(=O)NC1=CC=CC=C1 O17792 [0,0,0,0,0,2|1,0,0]=3 298 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O B9504 [0,0,0,0,0,2|1,0,1]=4 299 B14R1.6449 N[C@H](CNCC1=CC=CC=C1)C(=O)O A8780 [0,0,0,0,0,2|1,0,1]=4 300 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B18300 [0,0,0,0,0,2|1,0,1]=4 301 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O C9505 [0,0,0,0,0,2|1,0,1]=4