0 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 00839 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 29880 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O 11768 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.39 CNC(CC(=O)O)C(=O)O 12425 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O 06337 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 06339 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 C=C(C)C[C@H](N)C(=O)O 05807 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.23 C=C(NC(C)=O)C(=O)O 11790 [1,0,0,0,0,0|0,0,2]=3 8 B8R0.23 CC(=O)NC(C)C(=O)O 04330 [1,0,0,0,0,0|0,0,0]=1 9 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 02604 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.23 CC(=O)N[C@@H](C)C(N)=O 02606 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.23 CC(=O)N[C@H](C)C(=O)O 02605 [1,0,0,0,0,0|0,0,0]=1 12 B8R0.23 NC(=O)CC(N)C(=O)O 21823 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 00454 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.23 NC(=O)C[C@H](N)C(=O)O 00026 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.23 NC(=O)C[C@H](N)C(=O)O 00464 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.23 NC(CC(=O)O)C(=O)O 00626 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 00028 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 00794 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.23 N[C@H](CC(=O)O)C(=O)O 00370 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.23 O=C(O)CC(O)C(=O)O 21853 [1,0,0,0,0,0|2,1,0]=4 21 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 21933 [1,0,0,0,0,0|2,1,0]=4 22 B8R0.23 O=C(O)C[C@H](O)C(=O)O 01183 [1,0,0,0,0,0|2,1,0]=4 23 B10R0.23 CCC[C@@H](NC(C)=O)C(=O)O 11784 [0,1,0,0,0,0|1,0,0]=2 24 B10R0.23 CCC[C@H](NC(C)=O)C(=O)O 11799 [0,1,0,0,0,0|1,0,0]=2 25 B10R0.53 CCC(NC(=O)CCl)C(=O)O 11928 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O 03367 [0,1,0,0,0,0|0,1,0]=2 27 B10R0.53 NCC(=O)N[C@@H](CS)C(=O)O 32573 [0,1,0,0,0,0|0,0,0]=1 28 B10R0.53 O=C(CCl)NC(CO)C(=O)O 06657 [0,1,0,0,0,0|0,1,0]=2 29 B10R0.54 COC(=O)[C@H](CO)NC(C)=O 04395 [0,1,0,0,0,0|0,1,0]=2 30 B10R0.162 CC(=O)NC(C(=O)O)C(C)C 06606 [0,1,0,0,0,0|1,0,0]=2 31 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C 02644 [0,1,0,0,0,0|1,0,0]=2 32 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C 02643 [0,1,0,0,0,0|1,0,0]=2 33 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O 03262 [0,1,0,0,0,0|0,1,0]=2 34 B10R0.162 CC(=O)N[C@H](C(N)=O)C(C)C 02645 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.30 O=C1CNC(=O)[C@H](CO)N1 11049 [0,0,0,1,0,0|1,1,0]=3 36 B7R0.5 C[C@H](NC=O)C(=O)O 04404 [2,0,0,0,0,0|0,0,0]=2 37 B7R0.15 CN[C@@H](CO)C(=O)O 06357 [2,0,0,0,0,0|0,1,0]=3 38 B7R0.6 CC(=O)CCC(C)=O 27195 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.6 CC(=O)CNC(C)=O 18453 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.6 CC(=O)NCC(=O)O 02611 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.6 O=C(O)CCC(=O)O 01465 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.6 O=C(O)CCC(=O)O 30165 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.33 CC(C)[C@H](NC=O)C(=O)O 08121 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.23 CNC(=O)[C@H](C)NC(C)=O 04332 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.23 COC(=O)[C@@H](C)NC(C)=O 02608 [1,1,0,0,0,0|0,0,0]=2 46 B9R0.23 COC(=O)[C@H](C)NC(C)=O 02607 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.42 COC(=O)CC(N)C(=O)O 06033 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.42 COC(=O)C[C@@H](N)C(=O)O 05942 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.42 COC(=O)C[C@H](N)C(=O)O 05886 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.42 C[C@H](NC(=O)CN)C(=O)O 03354 [1,1,0,0,0,0|0,0,0]=2 51 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O 14732 [0,1,0,0,0,1|0,1,1]=4 52 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(=O)O 02615 [0,2,0,0,0,0|1,0,0]=3 53 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(N)=O 04362 [0,2,0,0,0,0|2,0,0]=4 54 B11R0.115 COC(=O)[C@@H](NC(C)=O)[C@@H](C)O 03263 [0,2,0,0,0,0|0,1,0]=3 55 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O 03260 [0,2,0,0,0,0|1,0,0]=3 56 B11R0.160 CCCCC(NC(C)=O)C(=O)O 11779 [0,2,0,0,0,0|1,0,0]=3 57 B11R0.160 CCCC[C@@H](NC(C)=O)C(=O)O 11783 [0,2,0,0,0,0|1,0,0]=3 58 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O 07137 [0,2,0,0,0,0|1,0,0]=3 59 B11R0.160 CSCCC(NC(C)=O)C(=O)O 04375 [0,2,0,0,0,0|0,0,0]=2 60 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O 02624 [0,2,0,0,0,0|0,0,0]=2 61 B11R0.160 CSCC[C@H](NC(C)=O)C(=O)O 02623 [0,2,0,0,0,0|0,0,0]=2 62 B11R0.160 CSCC[C@H](NC(C)=O)C(N)=O 04377 [0,2,0,0,0,0|1,0,0]=3 63 B11R0.236 CCCC(NC(=O)CCl)C(=O)O 11930 [0,2,0,0,0,0|1,0,0]=3 64 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O 04570 [0,2,0,0,0,0|1,0,0]=3 65 B11R0.108 C[C@@H](O)[C@H](NC(=O)CN)C(=O)O 08698 [0,2,0,0,0,0|0,1,0]=3 66 B11R0.56 CCOC(=O)C(C#N)NC(C)=O 07230 [0,2,0,0,0,0|1,0,1]=4 67 B9R1.6 O=C(O)C1CCCCN1 07064 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.6 O=C(O)C1CNCCN1 14029 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.6 O=C(O)C1COCCN1 17537 [1,0,0,1,0,0|0,1,1]=4 70 B9R1.6 O=C(O)C1CSCCN1 17381 [1,0,0,1,0,0|0,0,1]=3 71 B9R1.6 O=C(O)[C@@H]1CCCCN1 03414 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.6 O=C(O)[C@@H]1COCCN1 17394 [1,0,0,1,0,0|0,1,1]=4 73 B9R1.6 O=C(O)[C@@H]1CSCCN1 17852 [1,0,0,1,0,0|0,0,1]=3 74 B9R1.6 O=C(O)[C@H]1CCCCN1 05974 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.6 O=C(O)[C@H]1COCCN1 18333 [1,0,0,1,0,0|0,1,1]=4 76 B9R1.6 O=C(O)[C@H]1COCCN1 19638 [1,0,0,1,0,0|0,1,1]=4 77 B9R1.35 NC1=NC(C(=O)O)CS1 02557 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 00620 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.35 O=C1CC[C@H](C(=O)O)N1 05374 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.35 O=C1N[C@H](C(=O)O)CS1 06280 [1,0,0,1,0,0|0,0,0]=2 81 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 15094 [1,0,0,1,0,0|0,1,1]=4 82 B9R1.69 C[C@@H]1NC(=O)CNC1=O 11020 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.168 O=C(O)C1(C(=O)O)CC1 23188 [0,0,0,1,1,0|2,0,0]=4 84 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 29225 [0,1,0,1,0,0|1,1,0]=4 85 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 15125 [0,1,0,1,0,0|1,1,0]=4 86 B11R1.74 O=C1C[C@H](C(=O)O)NC(=O)N1 15109 [0,1,0,1,0,0|1,1,0]=4 87 B11R1.178 CC(=O)N1CCCC1C(=O)O 04391 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O 02632 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O 02631 [0,1,0,1,0,0|1,0,0]=3 90 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O 02633 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.277 C[C@@H]1NC(=O)[C@H](CO)NC1=O 11022 [0,1,0,1,0,0|1,1,0]=4 92 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 06001 [1,0,0,0,0,1|2,0,0]=4 93 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 09096 [1,0,0,0,0,1|2,0,0]=4 94 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O 05381 [1,0,0,0,0,1|1,0,0]=3 95 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 07092 [1,0,0,0,0,1|2,0,0]=4 96 B9R0.53 CC(CC(=O)O)CC(=O)O 29812 [1,0,0,0,0,1|2,0,0]=4