0 B8R0.8 C#CCC[C@H](N)C(=O)O C70033 [1,0,0,0,0,0|1,0,1]=3 1 B8R0.8 CSCC[C@H](N)C(N)=O F10892 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.8 NCCC[C@H](O)C(=O)O D76509 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.9 C=C[C@@H](N)CCC(=O)O F51879 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.12 N[C@@H](CCC(=O)O)C(F)(F)F E72971 [0,1,0,0,0,0|2,0,1]=4 6 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O AT19340 [0,1,0,0,0,0|0,0,0]=1 7 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O AT19343 [0,1,0,0,0,0|0,0,0]=1 8 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O D76579 [0,1,0,0,0,0|2,0,1]=4 9 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O D76725 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O D77008 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O 28974 [0,1,0,0,0,0|1,0,0]=2 12 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 70212 [0,0,0,1,0,0|1,0,1]=3 13 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P12483 [0,0,0,1,0,0|1,0,1]=3 14 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 55713 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 55715 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F P18887 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F P21046 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.83 CC1(C)C(N)CC1C(=O)O P13654 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O P13655 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O 38976 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O P15684 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23799 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23800 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT24216 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 52423 [0,0,0,1,0,0|1,0,1]=3 26 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 AT26434 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 91935 [0,0,0,1,0,0|1,0,1]=3 28 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 91938 [0,0,0,1,0,0|1,0,1]=3 29 B10R1.470 N[C@@]1(C(=O)O)CC[C@H](O)C1 91936 [0,0,0,1,0,0|1,0,1]=3 30 B10R1.470 N[C@@]1(C(=O)O)CC[C@H](O)C1 91939 [0,0,0,1,0,0|1,0,1]=3 31 B8R0.23 N[C@@H](CB(O)O)C(=O)O AT22237 [0,0,0,0,1,0|1,0,1]=3 32 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24419 [0,0,0,0,1,0|2,0,1]=4 33 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24420 [0,0,0,0,1,0|2,0,1]=4 34 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24421 [0,0,0,0,1,0|2,0,1]=4 35 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19559 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19560 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.23 O=C(O)C[C@H](S)C(=O)O I11663 [0,0,0,0,1,0|1,0,0]=2 38 B8R0.23 O=C(O)[C@@H](O)C[N+](=O)[O-] 50048 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O C90148 [0,0,0,0,1,0|1,0,1]=3 40 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O I11722 [0,0,0,0,0,1|2,0,0]=3 41 B7R0.3 C=CCC[C@H](N)CO D75109 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.4 CCCCC[13C](=O)O 41454 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.6 C[C@H](N)CCC(=O)O D75535 [2,0,0,0,0,0|0,0,1]=3 46 B7R0.6 O=C(O)CCB(O)O E72861 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.6 O=C(O)CCC(F)F P19183 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O 25818 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O 25820 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15753 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15756 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.51 C=CCC[C@](C)(N)C(=O)O F12096 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.51 CCCC[C@](C)(N)C(=O)O AT19792 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.51 CCCC[C@](C)(N)C(=O)O AT19793 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.1 O=C(O)CCNC(=O)CBr C70445 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.53 C\C(=C/C(=O)O)CC(=O)O AT26596 [1,1,0,0,0,0|0,0,2]=4 57 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O F15993 [0,1,0,0,1,0|1,0,0]=3 58 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O P14828 [0,1,0,0,1,0|0,0,0]=2 59 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O C90323 [0,1,0,0,1,0|1,0,0]=3 60 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O O10211 [0,1,0,0,0,1|0,0,1]=3 61 B11R0.318 N[C@@H](CCOP(=O)(O)O)C(=O)O A11702 [0,1,0,0,0,1|1,0,0]=3 62 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O AT22979 [0,2,0,0,0,0|0,0,0]=2 63 B11R0.288 COC(=O)C(C)(C)CCC(=O)O AC9031 [0,2,0,0,0,0|1,0,0]=3 64 B11R0.117 COC(=O)[C@@H](F)C[C@H](N)C(=O)O AT11763 [0,2,0,0,0,0|0,0,0]=2 65 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26185 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26186 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17994 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11434 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT24203 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 83546 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19707 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19708 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19709 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 AT13973 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.35 O=C1N[C@H](C(=O)O)CS1 AT21690 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P18552 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P18553 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.110 CC(C(=O)O)C1CCO1 P20432 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20956 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.84 O=C(O)CCC1COC1 52191 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.53 CC(=O)C[C@H]1CC(=O)N1 E73222 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 AT10150 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 AT10149 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.152 NC1(C(=O)O)CC(=O)C1 AT23624 [0,0,0,1,1,0|1,0,0]=3 87 B11R1.710 O=C(O)C[C@H]1CCS(=O)(=O)N1 P12817 [0,0,0,1,0,1|1,0,1]=4 88 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O AT10286 [0,0,0,1,0,1|0,0,0]=2 89 B11R1.166 C[C@@H]1CC(=O)CC[C@@H]1C(=O)O P18308 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.738 N[C@@]1(C(=O)O)CCS(=O)(=O)C1 AT23901 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.22 COC(=O)[C@@H]1CC[C@@H](O)CN1 91189 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.22 COC(=O)[C@@H]1CC[C@@H](O)CN1 C91965 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 P12472 [0,1,0,1,0,0|1,0,1]=4 94 B11R1.226 COC(=O)[C@H]1C[C@H](O)C(=O)N1 AC9788 [0,1,0,1,0,0|2,0,0]=4 95 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [1,0,0,0,1,0|1,0,1]=4 96 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [1,0,0,0,1,0|1,0,1]=4 97 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [1,0,0,0,1,0|1,0,1]=4 98 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,0,0,0,2,0|1,0,1]=4