0 B15R1.890 NC(C(=O)O)C(O)C1=CC(O)=C(O)C=C1 D90266 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.685 CC1=C(Br)C=CC([C@@H](N)CC(=O)O)=C1 Y11900 [1,0,0,0,0,0|3,0,0]=4 2 B14R1.685 CC1=C(C)C=C([C@@H](N)CC(=O)O)C=C1 Y10875 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.685 CC1=C(C)C=C([C@@H](N)CC(=O)O)C=C1 Y12462 [1,0,0,0,0,0|3,0,0]=4 4 B14R1.685 N[C@@H](CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 Y11450 [1,0,0,0,0,0|3,0,0]=4 5 B14R1.685 N[C@@H](CC(=O)O)C1=CC(F)=C(Br)C=C1 Y11124 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 Y12177 [1,0,0,0,0,0|2,0,0]=3 7 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y11726 [1,0,0,0,0,0|2,0,0]=3 8 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12612 [1,0,0,0,0,0|2,0,0]=3 9 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12614 [1,0,0,0,0,0|2,0,0]=3 10 B14R1.686 N[C@@H](CC1=CC(Cl)=C(F)C=C1)C(=O)O Y12619 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.686 N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O Y12216 [1,0,0,0,0,0|2,0,0]=3 12 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O Y12611 [1,0,0,0,0,0|2,0,0]=3 13 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O Y12613 [1,0,0,0,0,0|2,0,0]=3 14 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O 60506 [1,0,0,0,0,0|2,0,0]=3 15 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61380 [1,0,0,0,0,0|1,0,0]=2 16 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61384 [1,0,0,0,0,0|1,0,0]=2 17 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61386 [1,0,0,0,0,0|1,0,0]=2 18 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O Y11239 [1,0,0,0,0,0|1,0,0]=2 19 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O F21483 [1,0,0,0,0,0|0,0,0]=1 20 B14R1.686 O=C([O-])[C@@H](O)CC1=CC(O)=C(O)C=C1 44339 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56502 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56504 [2,0,0,0,0,0|2,0,0]=4 23 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 F16882 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Y10682 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 Y10448 [2,0,0,0,0,0|2,0,0]=4 26 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61114 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50481 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.133 CC1=NC=C(C[C@H](N)C(=O)O)C=C1 Y10839 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [2,0,0,0,0,0|2,0,0]=4 31 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 A12610 [2,0,0,0,0,0|1,0,0]=3 32 B13R1.133 N[C@@H](CC1=CN=C(Cl)C=C1)C(=O)O Y12874 [2,0,0,0,0,0|2,0,0]=4 33 B13R1.133 N[C@@H](CC1=NC=C(Br)C=C1)C(=O)O Y10844 [2,0,0,0,0,0|2,0,0]=4 34 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [2,0,0,0,0,0|2,0,0]=4 35 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [2,0,0,0,0,0|2,0,0]=4 36 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [2,0,0,0,0,0|1,0,0]=3 37 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [2,0,0,0,0,0|1,0,0]=3 38 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 Y13375 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62468 [2,0,0,0,0,0|1,0,0]=3 40 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 55908 [2,0,0,0,0,0|2,0,0]=4 41 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 58168 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61005 [2,0,0,0,0,0|2,0,0]=4 43 B13R1.147 O=C(O)C[C@H](O)C1=CC=CC(Cl)=C1 D80731 [2,0,0,0,0,0|1,0,0]=3 44 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CN=C1 Y12927 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 F16900 [2,0,0,0,0,0|1,0,0]=3 46 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y10907 [2,0,0,0,0,0|1,0,0]=3 47 B13R1.148 N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O Y12928 [2,0,0,0,0,0|2,0,0]=4 48 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Y10908 [2,0,0,0,0,0|1,0,0]=3 49 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O A50209 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 C15825 [2,0,0,0,0,0|1,0,1]=4 51 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [2,0,0,0,0,0|2,0,0]=4 52 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.511 CC1=C(F)C=CC(CCC(=O)O)=C1 F52891 [2,0,0,0,0,0|2,0,0]=4 54 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 F52878 [2,0,0,0,0,0|2,0,0]=4 56 B15R1.4037 COC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 62461 [1,1,0,0,0,0|1,0,0]=3 57 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y10837 [1,1,0,0,0,0|0,0,0]=2 58 B15R1.4038 COC1=C(O)C=CC(CC(=O)C(=O)O)=C1 T71582 [1,1,0,0,0,0|1,0,1]=4 59 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 82868 [1,1,0,0,0,0|0,0,0]=2 60 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 D95468 [1,1,0,0,0,0|0,0,0]=2 61 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(C)=C(F)C=C1 Y11937 [1,1,0,0,0,0|2,0,0]=4 62 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(C)=C(F)C=C1 Y11938 [1,1,0,0,0,0|2,0,0]=4 63 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(C)=C(F)C=C1 Y13032 [1,1,0,0,0,0|2,0,0]=4 64 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(Cl)=C(Cl)C=C1 D81636 [1,1,0,0,0,0|2,0,0]=4 65 B15R1.11316 C[C@](N)(CC1=CC(O)=C(O)C=C1)C(=O)O D93822 [1,1,0,0,0,0|0,0,0]=2 66 B15R1.28955 N[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)C(=O)O C12438 [1,1,0,0,0,0|1,0,0]=3 67 B15R1.28955 N[C@@H](CC1=CC(F)=C(F)C(F)=C1)C(=O)O 66750 [1,1,0,0,0,0|2,0,0]=4 68 B15R1.28955 N[C@@H](CC1=CC(F)=C(O)C(F)=C1)C(=O)O 98380 [1,1,0,0,0,0|1,0,0]=3 69 B15R2.1102 O=C(O)C1=CC2=C(C=C(O)C(O)=C2)N1 C10005 [1,0,0,1,0,0|0,0,2]=4