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N[C@@H](CC1=CNC2=C1C=C(F)C=C2)C(=O)O F64508 [0,1,0,0,0,0|0,0,0]=1 14 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O A55871 [0,1,0,0,0,0|0,0,0]=1 15 B17R2.37147 N[C@@H](CC1=CNC2=C(Br)C=CC=C12)C(=O)O A54382 [0,1,0,0,0,0|0,0,0]=1 16 B17R2.37147 N[C@@H](CC1=CNC2=C(Cl)C=CC=C12)C(=O)O A66456 [0,1,0,0,0,0|0,0,0]=1 17 B17R2.37147 N[C@@H](CC1=CNC2=C(Cl)C=CC=C12)C(=O)O C64839 [0,1,0,0,0,0|0,0,0]=1 18 B17R2.37147 N[C@@H](CC1=CNC2=C(F)C=CC=C12)C(=O)O A54386 [0,1,0,0,0,0|0,0,0]=1 19 B17R2.37147 N[C@@H](CC1=CNC2=C(F)C=CC=C12)C(=O)O A62196 [0,1,0,0,0,0|0,0,0]=1 20 B17R2.37147 N[C@H](CC1=CNC2=C(Cl)C=CC=C12)C(=O)O A54385 [0,1,0,0,0,0|0,0,0]=1 21 B17R2.37552 CC1=C2C(C[C@@H](N)C(=O)O)=CNC2=CC=C1 A55870 [0,1,0,0,0,0|0,0,0]=1 22 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 A56579 [0,0,0,0,0,1|0,0,0]=1 23 B17R2.9167 N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O A68026 [0,0,0,0,0,1|1,0,0]=2 24 B17R2.9167 N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O A57409 [0,0,0,0,0,1|1,0,0]=2 25 B17R2.9167 N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O A68004 [0,0,0,0,0,1|1,0,0]=2 26 B17R2.520754 N[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)O A63397 [0,0,0,0,0,1|1,0,0]=2 27 B17R2.520754 N[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)O A68018 [0,0,0,0,0,1|1,0,0]=2 28 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O A54115 [1,0,1,0,0,0|1,0,0]=3 29 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 S54066 [2,0,0,0,0,0|1,0,1]=4 30 B16R1.4122 N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)O A67750 [0,1,1,0,0,0|2,0,0]=4 31 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 M55812 [1,1,0,0,0,0|0,0,0]=2 32 B16R2.495 CC(C)(C(=O)O)C1=CNC2=C1C=CC=C2 K55818 [0,1,0,0,1,0|1,0,0]=3 33 B16R2.104521 CN1C=C(C(=O)C(=O)O)C2=C1C=CC=C2 M62242 [0,1,0,0,1,0|1,0,1]=4 34 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=CC=CC=C2C=C1 M58085 [0,1,0,0,0,1|1,0,0]=3 35 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O A56639 [0,1,0,0,0,1|0,0,0]=2 36 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O A67138 [0,1,0,0,0,1|0,0,0]=2 37 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O A69483 [0,1,0,0,0,1|0,0,0]=2 38 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 T61451 [0,2,0,0,0,0|0,0,0]=2 39 B18R2.361 CNC(=O)[C@@H](N)CC1=CNC2=C(Cl)C=CC=C12 A66458 [0,2,0,0,0,0|1,0,0]=3 40 B18R2.361 COC(=O)[C@@H](N)CC1=CNC2=C(Cl)C=CC=C12 M66457 [0,2,0,0,0,0|0,0,0]=2 41 B18R2.3108 COC1=CC2=C(C=C1)C(C[C@H](N)C(=O)O)=CN2 A65534 [0,2,0,0,0,0|0,0,0]=2 42 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O M64854 [0,2,0,0,0,0|0,0,0]=2 43 B18R2.120970 N#CC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O A55650 [0,2,0,0,0,0|0,0,0]=2 44 B18R2.104834 COC1=CC=CC2=C1NC=C2C[C@@H](N)C(=O)O A55877 [0,2,0,0,0,0|0,0,0]=2 45 B18R2.105502 COC1=C2C(C[C@H](N)C(=O)O)=CNC2=CC=C1 A55878 [0,2,0,0,0,0|0,0,0]=2 46 B16R2.6284 N[C@@H](C(=O)O)C1=CC2=CC=CC=C2C=C1 A56568 [0,0,1,1,0,0|1,0,1]=4 47 B16R2.244415 N[C@@H](C(=O)O)C1=CC=CC2=CC=CC=C21 A56567 [0,0,1,1,0,0|1,0,1]=4 48 B16R3.2583 N[C@@H]1CCC2=C(C1)C3=C(C=CC=C3)N2 T55856 [1,0,0,1,0,0|1,0,1]=4 49 B16R3.2583 N[C@H]1CCC2=C(C1)C3=C(C=CC=C3)N2 T55855 [1,0,0,1,0,0|1,0,1]=4 50 B16R3.2583 N[C@H]1CCC2=C(C1)C3=C(C=CC=C3)N2 T55857 [1,0,0,1,0,0|1,0,1]=4 51 B18R3.116932 O=C(O)[C@H]1CCC2=C(C1)NC3=C2C=CC=C3 T56822 [0,0,0,1,0,1|1,0,0]=3 52 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 T60868 [0,1,0,1,0,0|0,0,0]=2 53 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52981 [0,0,1,0,1,0|1,0,1]=4 54 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54864 [0,0,1,0,1,0|0,0,2]=4 55 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54867 [0,0,1,0,1,0|0,0,2]=4 56 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O A68012 [0,0,1,0,1,0|1,0,1]=4 57 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O B52975 [0,0,1,0,1,0|1,0,1]=4 58 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B68301 [0,0,1,0,1,0|1,0,1]=4 59 B14R2.95 CC[C@H](N)C1=CNC2=C1C=CC=C2 K54694 [1,0,0,0,1,0|1,0,1]=4 60 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 P39691 [1,0,0,0,0,1|0,0,1]=3 61 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 N68799 [1,0,0,0,0,1|2,0,0]=4 62 B16R2.179941 O=C(O)COC1=CC=CC2=CC=CC=C21 N62389 [1,0,0,0,0,1|2,0,0]=4 63 B16R2.179941 O=C(O)COC1=NC=NC2=CC=CC=C21 Q62370 [1,0,0,0,0,1|1,0,1]=4 64 B18R2.2880857 N[C@H](CC(=O)O)CC1=CC=CC2=CC=CC=C21 A58084 [0,0,0,0,0,2|1,0,0]=3