0 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(Cl)C=C1 239533 [1,0,0,0,0,0|3,0,0]=4 1 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O 004858 [1,0,0,0,0,0|2,0,0]=3 2 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(=O)O 237119 [1,0,0,0,0,0|0,0,0]=1 3 B14R1.686 NC(CC1=CC=C(O)C(F)=C1)C(=O)O 303067 [1,0,0,0,0,0|1,0,0]=2 4 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 M03158 [1,0,0,0,0,0|1,0,0]=2 5 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O M03243 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O 358380 [1,0,0,0,0,0|0,0,0]=1 7 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O 040512 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(=O)O M06129 [1,0,0,0,0,0|1,0,0]=2 9 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 196028 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 034393 [2,0,0,0,0,0|2,0,0]=4 11 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 010001 [2,0,0,0,0,0|2,0,0]=4 12 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O 238977 [2,0,0,0,0,0|2,0,0]=4 13 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O 222154 [2,0,0,0,0,0|1,0,0]=3 14 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 002355 [2,0,0,0,0,0|1,0,0]=3 15 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 222391 [2,0,0,0,0,0|1,0,0]=3 16 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 235606 [2,0,0,0,0,0|1,0,0]=3 17 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 040892 [2,0,0,0,0,0|1,0,0]=3 18 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 008572 [2,0,0,0,0,0|1,0,0]=3 19 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 103253 [2,0,0,0,0,0|1,0,0]=3 20 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 404518 [2,0,0,0,0,0|1,0,0]=3 21 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 405508 [2,0,0,0,0,0|0,0,0]=2 22 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M02963 [2,0,0,0,0,0|0,0,0]=2 23 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O M03236 [2,0,0,0,0,0|1,0,0]=3 24 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O M02937 [2,0,0,0,0,0|0,0,0]=2 25 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 013604 [2,0,0,0,0,0|1,0,1]=4 26 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O 431420 [2,0,0,0,0,0|1,0,0]=3 27 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 013694 [2,0,0,0,0,0|0,0,0]=2 28 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 003078 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.147 NC(CC(=O)O)C1=CC(Br)=CC=C1 034361 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.147 NC(CC(=O)O)C1=CC(Cl)=CC=C1 034400 [2,0,0,0,0,0|2,0,0]=4 31 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 040516 [2,0,0,0,0,0|2,0,0]=4 32 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O M02556 [2,0,0,0,0,0|0,0,0]=2 33 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O M03194 [2,0,0,0,0,0|0,0,0]=2 34 B13R1.148 NC(CC1=CC=CC(Br)=C1)C(=O)O 225532 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.148 NC(CC1=CC=CC(F)=C1)C(=O)O 002165 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O 049192 [2,0,0,0,0,0|1,0,0]=3 37 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O 008570 [2,0,0,0,0,0|1,0,0]=3 38 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O 209863 [2,0,0,0,0,0|0,0,0]=2 39 B13R1.148 N[C@H](CC1=CC(O)=CC=C1)C(=O)O 092215 [2,0,0,0,0,0|0,0,0]=2 40 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O M03176 [2,0,0,0,0,0|1,0,0]=3 41 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 358104 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 103092 [2,0,0,0,0,0|0,0,0]=2 43 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 018536 [2,0,0,0,0,0|2,0,0]=4 44 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 209825 [2,0,0,0,0,0|0,0,2]=4 45 B13R1.510 O=C(O)C(O)C1=CC(O)=C(O)C=C1 M01655 [2,0,0,0,0,0|1,0,1]=4 46 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1 223023 [1,1,0,0,0,0|0,0,0]=2 47 B15R1.28955 NC(CC1=CC(F)=C(Cl)C(F)=C1)C(=O)O 343381 [1,1,0,0,0,0|2,0,0]=4 48 B15R1.28955 NC(CC1=CC(F)=C(F)C(F)=C1)C(=O)O 005862 [1,1,0,0,0,0|2,0,0]=4 49 B15R1.28955 N[C@@H](CC1=CC(F)=C(F)C(F)=C1)C(=O)O 034494 [1,1,0,0,0,0|2,0,0]=4