0 B7R0.4 C#CCNCC(=O)O CP25644 [1,0,0,0,0,0|1,0,2]=4 1 B7R0.4 C=CCNCC(=O)O CP25888 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.4 NCCCCC(=O)O CP04601 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.4 NCCNCC(=O)O CP26849 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CP26697 [0,1,0,0,0,0|3,0,0]=4 5 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CP27345 [0,1,0,0,0,0|3,0,0]=4 6 B9R0.7 CS(=O)CC[C@H](N)C(=O)O CP26995 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.7 NC(=O)CCC(N)C(=O)O CP00803 [0,1,0,0,0,0|2,0,0]=3 8 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CP00801 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O CP26661 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CP00802 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CPC1661 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CP26796 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CP25373 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.7 NC(=O)SC[C@H](N)C(=O)O CP26756 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CP27307 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CP26595 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CP00702 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CP00701 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CP25627 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CP26865 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CP26850 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01101 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01104 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CP01105 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CP01102 [0,0,0,1,0,0|2,0,1]=4 26 B7R0.2 NCC(N)CC(=O)O CP05401 [0,0,0,0,1,0|1,0,1]=3 27 B7R0.2 NC[C@@H](N)CC(=O)O CP05403 [0,0,0,0,1,0|1,0,1]=3 28 B7R0.2 NC[C@H](N)CC(=O)O CP05402 [0,0,0,0,1,0|1,0,1]=3 29 B7R0.2 N[C@@H](CO)CC(=O)O CP25431 [0,0,0,0,1,0|1,0,1]=3 30 B7R0.2 N[C@H](CO)CC(=O)O CP25432 [0,0,0,0,1,0|1,0,1]=3 31 B8R0.5 C=CC[C@H](N)CC(=O)O CP25693 [1,1,0,0,0,0|0,0,0]=2 32 B8R0.7 NCCCCCC(=O)O CP03101 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.28 CC(=O)NCCC(=O)O CP25731 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.28 NC(=O)NCCC(=O)O CP27137 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.23 C=C(C)C[C@H](N)C(=O)O CP27551 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.23 CC(C)CC(N)C(=O)O CP01303 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.23 CC(C)C[C@@H](N)C(=O)O CP01301 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.23 CC(C)C[C@@H](O)C(=O)O CP26746 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.23 CC(C)C[C@H](N)C(=O)O CP01302 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.23 CC(C)C[C@H](O)C(=O)O CP26351 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O CP27256 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.23 CC(C)[C@@H](N)CC(=O)O CP27724 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CP27728 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O CP25514 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.23 NC(=O)CC(N)C(=O)O CP00305 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00301 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00302 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00303 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00304 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CP26946 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.23 NC(=O)[C@H](N)CC(=O)O CP26638 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CP25202 [0,1,0,0,0,1|2,0,0]=4 53 B10R0.98 NC(CCCC(=O)O)C(=O)O CP02703 [0,1,0,0,0,1|1,0,0]=3 54 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CP02702 [0,1,0,0,0,1|1,0,0]=3 55 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 10-101-113 [0,1,0,0,0,1|1,0,0]=3 56 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CP27194 [0,1,0,0,0,1|1,0,0]=3 57 B10R0.13 NC(C(=O)O)C(O)CC(=O)O CP06801 [0,2,0,0,0,0|1,0,0]=3 58 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O CP27353 [0,2,0,0,0,0|1,0,0]=3 59 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O CP27465 [0,2,0,0,0,0|1,0,0]=3 60 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O CP27389 [0,2,0,0,0,0|1,0,1]=4 61 B10R0.93 NC(CC(N)C(=O)O)C(=O)O CP05501 [0,2,0,0,0,0|1,0,0]=3 62 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O CP05504 [0,2,0,0,0,0|1,0,0]=3 63 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O CP26860 [0,2,0,0,0,0|1,0,0]=3 64 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O CP05502 [0,2,0,0,0,0|1,0,0]=3 65 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O CP27077 [0,2,0,0,0,0|1,0,0]=3 66 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O CP05503 [0,2,0,0,0,0|1,0,0]=3 67 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O CP27653 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O CP25942 [0,2,0,0,0,0|0,0,1]=3 69 B8R1.7 NC(=O)[C@@H]1C=CCN1 CP27325 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.7 O=C(O)C1C=CCN1 CP27023 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.7 O=C(O)C1CCCN1 CP01703 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.7 O=C(O)[C@@H]1C=CCN1 CP25837 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.7 O=C(O)[C@@H]1CCCN1 CP01702 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.7 O=C(O)[C@H]1CCCN1 CP01701 [1,0,0,1,0,0|1,0,1]=4 75 B10R1.66 O=C(O)CCC1=CNC=N1 CP26170 [0,1,0,1,0,0|0,0,2]=4 76 B6R0.2 CC(N)CC(=O)O CP03001 [1,0,0,0,1,0|0,0,1]=3 77 B6R0.2 C[C@@H](N)CC(=O)O CP03002 [1,0,0,0,1,0|0,0,1]=3 78 B6R0.2 C[C@@H](N)CC(=O)O CP27666 [1,0,0,0,1,0|0,0,1]=3 79 B6R0.2 C[C@H](N)CC(=O)O CP25916 [1,0,0,0,1,0|0,0,1]=3 80 B6R0.3 CCC(N)C(=O)O CP25922 [0,0,0,0,2,0|0,0,2]=4 81 B6R0.3 CC[C@@H](N)C(=O)O CP02901 [0,0,0,0,2,0|0,0,2]=4 82 B6R0.3 CC[C@H](N)C(=O)O CP02902 [0,0,0,0,2,0|0,0,2]=4 83 B6R0.3 NC(CCl)C(=O)O CP27043 [0,0,0,0,2,0|1,0,1]=4 84 B6R0.3 NC(CF)C(=O)O CP26472 [0,0,0,0,2,0|1,0,1]=4 85 B6R0.3 NC(CO)C(=O)O CP01803 [0,0,0,0,2,0|1,0,1]=4 86 B6R0.3 NC(CS)C(=O)O CP00603 [0,0,0,0,2,0|1,0,1]=4 87 B6R0.3 NC(CS)C(=O)O CP00606 [0,0,0,0,2,0|1,0,1]=4 88 B6R0.3 NCC(N)C(=O)O CP05805 [0,0,0,0,2,0|1,0,1]=4 89 B6R0.3 NCC(N)C(=O)O CP25891 [0,0,0,0,2,0|1,0,1]=4 90 B6R0.3 NC[C@@H](N)C(=O)O CP05804 [0,0,0,0,2,0|1,0,1]=4 91 B6R0.3 N[C@@H](CCl)C(=O)O CP26931 [0,0,0,0,2,0|1,0,1]=4 92 B6R0.3 N[C@@H](CCl)C(=O)O CP27167 [0,0,0,0,2,0|1,0,1]=4 93 B6R0.3 N[C@@H](CO)C(=O)O CP01802 [0,0,0,0,2,0|1,0,1]=4 94 B6R0.3 N[C@@H](CS)C(=O)O CP00601 [0,0,0,0,2,0|1,0,1]=4 95 B6R0.3 N[C@H](CCl)C(=O)O AAD-009 [0,0,0,0,2,0|1,0,1]=4 96 B6R0.3 N[C@H](CCl)C(=O)O CP27166 [0,0,0,0,2,0|1,0,1]=4 97 B6R0.3 N[C@H](CO)C(=O)O CP01801 [0,0,0,0,2,0|1,0,1]=4 98 B6R0.3 N[C@H](CS)C(=O)O CP00602 [0,0,0,0,2,0|1,0,1]=4 99 B6R0.3 N[C@H](CS)C(=O)O CP00605 [0,0,0,0,2,0|1,0,1]=4 100 B6R0.3 N[C@H](CS)C(=O)O CP26755 [0,0,0,0,2,0|1,0,1]=4