0 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 P52966 [1,0,0,0,0,0|2,0,1]=4 1 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 P52967 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 A54160 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 B2755 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 B61392 [1,0,0,0,0,0|0,0,2]=3 5 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 F52641 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 F51991 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 F65412 [1,0,0,0,0,0|1,0,1]=3 8 B15R1.5822 CC(=O)OCC(=O)C1=C(F)C=C(F)C=C1 A53814 [0,1,0,0,0,0|3,0,0]=4 9 B15R1.8420 O=C(O)CNC(=O)C1=C(Cl)C=CC(Cl)=C1 D51220 [0,1,0,0,0,0|2,0,0]=3 10 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 K54416 [0,0,0,1,0,0|3,0,0]=4 11 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 B52316 [0,0,0,1,0,0|3,0,0]=4 12 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A52969 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 A52963 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 A49834 [0,0,0,0,1,0|2,0,1]=4 15 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 A49821 [0,0,0,0,1,0|2,0,1]=4 16 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [2,0,0,0,0,0|2,0,0]=4 22 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(F)=C1 F65477 [1,1,0,0,0,0|0,0,0]=2 23 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O A54115 [1,1,0,0,0,0|0,0,0]=2 24 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 B54022 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 X54572 [1,1,0,0,0,0|0,0,0]=2 26 B14R1.678 CC1=CC=C([C@@H](N)CCC(=O)O)C=C1 A55505 [1,1,0,0,0,0|1,0,1]=4 27 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 B54020 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 F68300 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 P49952 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.813 O=C(O)CC[P@@](=O)(O)C1=CC=CC=C1 H50141 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 A54871 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 M54799 [1,1,0,0,0,0|0,0,1]=3 33 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(Br)C=CC=C1 M55417 [0,2,0,0,0,0|1,0,1]=4 34 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C)C=CC=C1 M55775 [0,2,0,0,0,0|1,0,1]=4 35 B16R1.11345 CC1=CC(Br)=C(C)C=C1C(=O)CCC(=O)O B55847 [0,2,0,0,0,0|1,0,0]=3 36 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 C52468 [0,0,1,1,0,0|2,0,0]=4 37 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 D12993 [1,0,0,1,0,0|1,0,0]=3 38 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P24775 [1,0,0,1,0,0|1,0,1]=4 39 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 A21724 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 I38816 [1,0,0,1,0,0|1,0,1]=4 41 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 B53803 [1,0,0,1,0,0|0,1,1]=4 42 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 T54110 [1,0,0,1,0,0|1,0,1]=4 43 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [1,0,0,1,0,0|0,0,1]=3 44 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)C1 T64049 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [1,0,0,1,0,0|1,0,0]=3 46 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 T54558 [1,0,0,1,0,0|1,0,1]=4 47 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 B53989 [1,0,0,1,0,0|1,0,1]=4 48 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 C17014 [1,0,0,1,0,0|1,0,1]=4 49 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(Br)C=CC=C2 B61659 [1,0,0,1,0,0|1,0,1]=4 50 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(F)C=CC=C2 F61868 [1,0,0,1,0,0|1,0,1]=4 51 B14R2.2 O=C(O)CC1=C2C=CC=CC2=CO1 B53806 [0,0,0,1,1,0|1,0,1]=4 52 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 B24693 [0,0,0,1,1,0|1,0,0]=3 53 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 K51377 [0,0,0,1,1,0|2,0,0]=4 54 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 B51206 [0,0,0,1,1,0|1,0,0]=3 55 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [0,0,0,1,1,0|1,0,1]=4 56 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C50779 [0,0,0,1,1,0|1,0,1]=4 57 B16R2.16183 O=C(O)CN1C(=O)C2=C(C=CC=C2)C1=O P68785 [0,1,0,1,0,0|1,0,1]=4 58 B16R2.83538 O=C(O)CN1C=CC2=C(C=CC=C2)C1=O X55390 [0,1,0,1,0,0|2,0,0]=4 59 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O A24159 [0,1,0,1,0,0|2,0,0]=4 60 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O A25107 [0,1,0,1,0,0|2,0,0]=4 61 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 M55812 [0,1,0,1,0,0|2,0,0]=4 62 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(F)C=C2)O1 F53415 [0,1,0,1,0,0|0,0,2]=4 63 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 T49110 [1,0,0,0,1,0|1,0,0]=3 64 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [1,0,0,0,1,0|1,0,0]=3 65 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [1,0,0,0,1,0|2,0,0]=4 66 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,0,0,0,1,0|1,0,1]=4 67 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [1,0,0,0,1,0|1,0,1]=4 68 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [1,0,0,0,1,0|1,0,1]=4 69 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [1,0,0,0,1,0|1,0,1]=4 70 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [1,0,0,0,1,0|1,0,1]=4 71 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [1,0,0,0,1,0|1,0,1]=4 72 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,0,0,0,1,0|0,0,2]=4 73 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [1,0,0,0,1,0|0,0,1]=3 74 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [1,0,0,0,1,0|2,0,0]=4 75 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [1,0,0,0,1,0|1,0,1]=4 76 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,0,0,0,1,0|1,0,0]=3 77 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [1,0,0,0,1,0|1,0,0]=3 79 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [1,0,0,0,1,0|1,0,0]=3 80 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [1,0,0,0,1,0|1,0,0]=3 81 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [1,0,0,0,1,0|1,0,0]=3 82 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [1,0,0,0,1,0|2,0,0]=4 84 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [1,0,0,0,1,0|1,0,1]=4 85 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [1,0,0,0,1,0|1,0,1]=4 86 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [1,0,0,0,1,0|1,0,1]=4 87 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [1,0,0,0,1,0|0,0,1]=3 88 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 S49482 [0,0,0,0,2,0|1,0,1]=4 89 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [0,0,0,0,2,0|1,0,1]=4 90 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 A55506 [1,0,0,0,0,1|1,0,1]=4 91 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 X67662 [1,0,0,0,0,1|0,0,0]=2