0 B14R1.3 COc1ccc(OC(C)C([O-])=O)cc1 T35795 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.3 N[C@@H](Cc1ccc(cc1)C#C)C(O)=O T10142 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.3 COc1ccc(/C=C/C(C)=O)cc1 T34091 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.3 COc1ccc(/C=C/C(O)=O)cc1 T5875 [1,0,0,0,0,0|0,0,1]=2 4 B13R1.3 COc1ccc(CCC(C)=O)cc1 Fr12339 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.5 COc1ccc(NC(=O)C=C)cc1 T50041 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.133 C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.133 NC(Cc1ccc(Cl)cc1)C(O)=O T1447 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T19725 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T41274 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [1,0,0,0,0,0|0,0,0]=1 13 B13R1.133 OC(Cc1ccc(O)cc1)C(O)=O TQ0284 [1,0,0,0,0,0|0,0,2]=3 14 B13R1.133 O[C@@H](Cc1ccc(O)cc1)C(O)=O T39887 [1,0,0,0,0,0|0,0,2]=3 15 B15R1.16 N[C@H](Cc1ccc(OC[18F])cc1)C(O)=O T31410 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [2,0,0,0,0,0|0,0,1]=3 19 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [2,0,0,0,0,0|0,0,1]=3 22 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [2,0,0,0,0,0|0,0,1]=3 23 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [2,0,0,0,0,0|0,0,1]=3 25 B12R1.71 COc1ccc(/C=C/CO)cc1 TN3049 [2,0,0,0,0,0|0,0,2]=4 26 B12R1.71 COc1ccc(C=CC=O)cc1 TN3048 [2,0,0,0,0,0|0,0,1]=3 27 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [2,0,0,0,0,0|0,0,0]=2 28 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [2,0,0,0,0,0|0,0,0]=2 32 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [2,0,0,0,0,0|0,0,2]=4 34 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [2,0,0,0,0,0|0,0,2]=4 35 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [2,0,0,0,0,0|0,0,2]=4 36 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [2,0,0,0,0,0|0,0,1]=3 38 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [2,0,0,0,0,0|1,0,1]=4 39 B14R1.5 COC(=O)CCc1ccc(OC)cc1 TN4528 [1,1,0,0,0,0|0,0,1]=3 40 B14R1.419 CN(C)c1ccc(C=CC(O)=O)cc1 TN6661 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.3653 COc1ccc(/C=C/C(O)=O)cc1O T2889 [1,1,0,0,0,0|0,0,1]=3 42 B14R1.132 OC(C(O)c1ccc(O)cc1)C(O)=O TN2702 [1,1,0,0,0,0|0,0,2]=4 43 B14R1.134 COC(=O)C(O)Cc1ccc(O)cc1 TN4552 [1,1,0,0,0,0|0,0,2]=4 44 B14R1.536 OC(=O)C(=C/c1ccc(O)cc1)/C#N T7460 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(O)=O T15138 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.686 N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O T5280 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.686 N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O T5568 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.686 N[C@@H](Cc1ccc(O)c(N)c1)C(O)=O T31423 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O T0848 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.686 O[C@H](Cc1ccc(O)c(O)c1)C(O)=O T3227 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.7626 C[C@](C(O)=O)(N)CC1=CC=C(O)C=C1 T22368 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.7626 N[C@](CC1=CC=C(O)C=C1)(C)C(O)=O T20700 [1,1,0,0,0,0|1,0,1]=4 53 B16R1.69 N[C@@H](Cc1ccc(OCC[18F])cc1)C(O)=O T31787 [0,2,0,0,0,0|1,0,1]=4 54 B16R1.36328 COc1c(O)cc(C[C@H](N)C(O)=O)cc1O T27162 [0,2,0,0,0,0|1,0,1]=4 55 B14R2.134 COc1ccc2ccc(=O)oc2c1 T7049 [1,0,0,1,0,0|0,0,1]=3 56 B16R2.7486 COc1ccc2cc(ccc2c1)C(O)=O T0556 [0,1,0,1,0,0|1,0,1]=4 57 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [1,0,0,0,1,0|1,0,1]=4 59 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [1,0,0,0,1,0|1,0,1]=4 60 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [1,0,0,0,1,0|0,0,2]=4 61 B14R1.679 N[C@@H](CCc1ccc(O)cc1)C(O)=O T25506 [1,0,0,0,0,1|1,0,1]=4