0 B9R0.39 CC(=O)N[C@H](CS)C(=O)O NO19200 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O DY437899 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.23 CC(=O)N[C@@H](C)C(=O)O DY436012 [1,0,0,0,0,0|0,0,0]=1 4 B8R0.23 CC(C)OC(C)C(=O)O DY603788 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.23 CC(CC(=O)O)C(=O)O DY556815 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.23 NC(=O)C[C@@H](N)C(=O)O NO19152 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.23 NC(CC(=O)O)C(=O)O DY793569 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.23 N[C@H](CC(=O)O)C(=O)O DY563601 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.23 N[C@H](CC(=O)O)C(=O)O NO18065 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 O=C(O)CC(O)C(=O)O NO11286 [1,0,0,0,0,0|2,1,0]=4 11 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O DY622059 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DY20429 [1,0,0,0,0,0|2,1,0]=4 13 B8R0.23 O=C(O)C[C@H](S)C(=O)O DY625003 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.23 CCC[C@H](NC(C)=O)C(=O)O DY439271 [0,1,0,0,0,0|1,0,0]=2 15 B10R0.53 CC[C@H](NC(=O)CN)C(=O)O DY435034 [0,1,0,0,0,0|1,0,0]=2 16 B10R0.54 COC(=O)C(CCl)NC(C)=O DY576471 [0,1,0,0,0,0|1,0,0]=2 17 B10R0.54 COC(=O)[C@H](CO)NC(C)=O DY436109 [0,1,0,0,0,0|0,1,0]=2 18 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C NO19626 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 DY113049 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.359 CC1(C)CCC(C(=O)O)N1 DY628815 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O DY10189 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O DY524727 [0,0,0,1,0,0|3,0,0]=4 23 B8R0.18 CC(C)[C@H](CN)C(=O)O DY539799 [0,0,0,0,1,0|2,0,1]=4 24 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [2,0,0,0,0,0|0,1,1]=4 25 B7R0.2 CC(=O)NC(=O)CCl DY741085 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.6 C=C(C)CCC(=O)O NO16527 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.6 CC(=O)CCC(=O)O NO18688 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.6 CC(=O)NCC(=O)O NO19131 [2,0,0,0,0,0|0,0,0]=2 29 B7R0.6 CC(=O)SCC(=O)O DY447723 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.6 N=C(N)NCC(=O)O DY550479 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.11 CC(=O)NC(C)(C)C(=O)O DY607587 [1,1,0,0,0,0|0,0,0]=2 32 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl NO21206 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.11 CC(C)(CC(=O)O)C(=O)O NO19959 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.23 COC(=O)[C@H](C)NC(C)=O DY436018 [1,1,0,0,0,0|0,0,0]=2 35 B9R0.42 CC(NC(=O)CCl)C(=O)O DY628599 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.42 COC(=O)CC(C)C(C)=O DY584386 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.42 COC(=O)C[C@@H](N)C(=O)O NO22944 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.42 COC(=O)C[C@H](N)C(=O)O NO13817 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.42 C[C@H](NC(=O)CN)C(N)=O DY624097 [1,1,0,0,0,0|1,0,0]=3 40 B9R0.79 CC(C(=O)O)C(N)C(=O)O DY20536 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.54 CC(C)C(C(=O)O)C(=O)O NO22798 [0,1,0,0,1,0|2,0,0]=4 42 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O DY436030 [0,1,0,0,0,1|0,1,1]=4 43 B11R0.115 COC(=O)[C@@H](NC(C)=O)C(C)C DY436133 [0,2,0,0,0,0|1,0,0]=3 44 B11R0.160 CSCC[C@H](NC(C)=O)C(N)=O DY436085 [0,2,0,0,0,0|1,0,0]=3 45 B9R1.6 O=C(O)C1CCCCN1 NO18433 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.6 O=C(O)C1CNCCN1 NO16953 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.6 O=C(O)C1CNCCN1 NO22631 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.6 O=C(O)C1CSCCN1 NO19640 [1,0,0,1,0,0|0,0,1]=3 49 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO13937 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO18418 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.6 O=C(O)[C@@H]1CCCNN1 DY625837 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.6 O=C(O)[C@@H]1CNCCN1 NO17152 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.6 O=C(O)[C@@H]1COCCN1 NO16814 [1,0,0,1,0,0|0,1,1]=4 54 B9R1.6 O=C(O)[C@@H]1COCCN1 NO17811 [1,0,0,1,0,0|0,1,1]=4 55 B9R1.6 O=C(O)[C@@H]1CSCCN1 DY565755 [1,0,0,1,0,0|0,0,1]=3 56 B9R1.6 O=C(O)[C@H]1CCCCN1 NO18416 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 DY622149 [1,0,0,1,0,0|0,1,0]=3 58 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.35 O=C1CCC(C(=O)O)N1 DY525489 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 DY438135 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.35 O=C1CC[C@H](C(=O)O)N1 NO22212 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.35 O=C1C[C@H](C(=O)O)CN1 DY547731 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.35 O=C1N[C@H](C(=O)O)CO1 DY536619 [1,0,0,1,0,0|0,1,0]=3 65 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O DY585907 [1,0,0,1,0,0|0,1,1]=4 66 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F DY586005 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F DY545055 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.2 O=C1COCC(CO)N1 NO17255 [1,0,0,1,0,0|0,1,1]=4 70 B9R1.152 CC1(C(=O)O)CC(=O)C1 DY546381 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.168 CC(=O)C1(C(=O)O)CC1 DY560583 [0,0,0,1,1,0|1,0,0]=3 72 B9R1.168 O=C(O)C1(C(=O)O)CC1 NO18036 [0,0,0,1,1,0|2,0,0]=4 73 B11R1.175 CC(=O)N1CC[C@@H](C(=O)O)C1 DY738242 [0,0,0,1,0,1|1,0,0]=3 74 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 DY547227 [0,0,0,1,0,1|1,0,0]=3 75 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 NO11545 [0,1,0,1,0,0|1,1,0]=4 76 B11R1.497 NC(=O)C1CCCCC(=O)N1 DY743383 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.167 CC(C)C1NC(=O)CNC1=O DY735253 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.167 CC(C)[C@H]1NC(=O)CNC1=O DY523749 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.167 O=C1CNC(=O)C(C(=O)O)N1 DY583371 [0,1,0,1,0,0|0,1,1]=4 80 B11R1.23 COC(=O)C1CNCC(=O)N1 NO17830 [0,1,0,1,0,0|1,0,0]=3 81 B7R0.16 CC(=O)C(C)C(C)=O DY572943 [1,0,0,0,1,0|1,0,0]=3 82 B7R0.16 CC(=O)C(Cl)C(C)=O DY461118 [1,0,0,0,1,0|2,0,0]=4 83 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [1,0,0,0,1,0|1,0,0]=3 84 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [1,0,0,0,1,0|2,0,0]=4 85 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DY428251 [1,0,0,0,0,1|2,0,0]=4