0 B15R1.890 N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O T2547 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.132 OC(C(O)c1ccc(O)cc1)C(O)=O TN2702 [1,0,0,0,0,0|1,0,0]=2 2 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(O)=O T15138 [1,0,0,0,0,0|0,0,0]=1 3 B14R1.686 NC(Cc1ccc(O)c(O)c1)C([O-])=O T32701 [1,0,0,0,0,0|0,0,1]=2 4 B14R1.686 N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O T5280 [1,0,0,0,0,0|1,0,0]=2 5 B14R1.686 N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O T5568 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.686 N[C@@H](Cc1ccc(O)c(N)c1)C(O)=O T31423 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O T0848 [1,0,0,0,0,0|0,0,0]=1 8 B14R1.686 N[C@@H](Cn1ccc(=O)c(O)c1)C(O)=O T6569 [1,0,0,0,0,0|1,0,1]=3 9 B14R1.686 OC(Cc1ccc(O)c(O)c1)C([O-])=O T2944 [1,0,0,0,0,0|1,0,1]=3 10 B14R1.686 O[C@H](Cc1ccc(O)c(O)c1)C(O)=O T3227 [1,0,0,0,0,0|1,0,0]=2 11 B14R1.1003 CCC(N)C(O)c1ccc(O)c(O)c1 T25398 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.133 C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493 [2,0,0,0,0,0|0,0,0]=2 13 B13R1.133 NC(Cc1ccc(Cl)cc1)C(O)=O T1447 [2,0,0,0,0,0|1,0,0]=3 14 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T19725 [2,0,0,0,0,0|1,0,0]=3 15 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T41274 [2,0,0,0,0,0|1,0,0]=3 16 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596 [2,0,0,0,0,0|0,0,0]=2 17 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545 [2,0,0,0,0,0|0,0,0]=2 18 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [2,0,0,0,0,0|1,0,1]=4 19 B13R1.133 OC(Cc1ccc(O)cc1)C(O)=O TQ0284 [2,0,0,0,0,0|1,0,0]=3 20 B13R1.133 O[C@@H](Cc1ccc(O)cc1)C(O)=O T39887 [2,0,0,0,0,0|1,0,0]=3 21 B13R1.152 N[C@H]([C@@H](O)C(O)=O)c1ccccc1 T5683 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.148 NC(Cc1cccc(O)c1)C(O)=O T13654 [2,0,0,0,0,0|0,0,0]=2 23 B13R1.148 N[C@@H](Cc1cccc(F)c1)C(O)=O T21181 [2,0,0,0,0,0|1,0,0]=3 24 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(O)=O T19922 [2,0,0,0,0,0|0,0,0]=2 25 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T1071L [2,0,0,0,0,0|2,0,0]=4 26 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T31383 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T32536 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.466 CNC[C@H](O)c1ccc(O)c(O)c1 T1047 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.511 CC(=O)CCc1ccc(O)c(O)c1 TN3002 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.511 OC(=O)/C=C/c1ccc(O)c(O)c1 T2807 [2,0,0,0,0,0|0,0,2]=4 31 B13R1.511 OC(=O)CCc1ccc(O)c(O)c1 T0539 [2,0,0,0,0,0|0,0,0]=2 32 B13R1.510 OC(C(O)=O)c1ccc(O)c(O)c1 T5229 [2,0,0,0,0,0|1,0,1]=4 33 B13R1.510 OC(C(O)=O)c1ccc(O)c(O)c1 TQ0135 [2,0,0,0,0,0|1,0,1]=4 34 B15R1.4038 COc1cc(CC(=O)C(O)=O)ccc1O T19600 [1,1,0,0,0,0|1,0,1]=4 35 B15R1.4038 COc1cc(CC(N)C(O)=O)ccc1O T9492 [1,1,0,0,0,0|0,0,0]=2 36 B15R1.5521 COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T7654 [1,1,0,0,0,0|0,0,0]=2 37 B15R1.5521 COC(=O)[C@@H](N)Cn1ccc(=O)c(O)c1 T33388 [1,1,0,0,0,0|1,0,1]=4 38 B15R1.5521 N[C@@H](CC1=CC=C(O)C(O)=C1)C(OC)=O T24445 [1,1,0,0,0,0|0,0,0]=2 39 B15R1.8394 NC(Cc1cc(O)c(O)cc1O)C(O)=O T26396 [1,1,0,0,0,0|0,0,0]=2 40 B15R1.8394 N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(O)=O T32907 [1,1,0,0,0,0|0,0,2]=4 41 B15R1.8394 N[C@@H](Cc1cc(O)c(O)cc1O)C(O)=O T20396 [1,1,0,0,0,0|0,0,0]=2 42 B15R1.8394 N[C@@H](Cc1cc(O)c(O)cc1[18F])C(O)=O T31823 [1,1,0,0,0,0|0,0,0]=2 43 B15R1.11316 C(=O)([C@@](N)(Cc1cc(c(O)cc1)O)C)O T0505 [1,1,0,0,0,0|0,0,0]=2 44 B15R1.11316 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O T15701 [1,1,0,0,0,0|0,0,0]=2 45 B15R1.11316 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O T5954 [1,1,0,0,0,0|0,0,0]=2 46 B15R1.11316 NC(CC1=CC=C(O)C(O)=C1)(C)C(O)=O T25054 [1,1,0,0,0,0|0,0,0]=2 47 B15R1.28955 C(=O)([C@H](Cc1cc(c(c(c1)I)O)I)N)O T2760 [1,1,0,0,0,0|1,0,0]=3 48 B15R1.28955 NC(Cc1cc(I)c(c(c1)I)O)C(O)=O TN6749 [1,1,0,0,0,0|1,0,0]=3 49 B15R1.28955 N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(O)=O T20069 [1,1,0,0,0,0|1,0,0]=3 50 B15R1.4029 COc1cc(ccc1O)[C@@H](O)[C@@H](O)CO TN4008 [1,1,0,0,0,0|1,0,1]=4 51 B15R1.4029 COc1cc(ccc1O)[C@@H](O)[C@H](O)CO TN5145 [1,1,0,0,0,0|1,0,1]=4 52 B17R1.23721 [2H]C([2H])(c1ccc(O)c(O)c1)[C@]([2H])(N)C(O)=O T34589 [0,2,0,0,0,0|1,0,0]=3