0 B9R0.7 CC(CCC(=O)O)C(=O)O 5731AL [0,0,0,0,0,0|1,0,0]=1 1 B9R0.7 CC(O)NC[C@H](N)C(=O)O Q368 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.7 NC(CCC(=O)O)C(=O)O 7909AA [0,0,0,0,0,0|0,0,0]=0 3 B8R0.8 C#CCC[C@H](N)C(=O)O 0450AP [1,0,0,0,0,0|1,0,1]=3 4 B8R0.8 CSCCC(O)C(=O)O 5652AL [1,0,0,0,0,0|3,0,0]=4 5 B8R0.9 C=C[C@@H](N)CCC(=O)O 1305AL [1,0,0,0,0,0|1,0,0]=2 6 B8R0.28 CC(=O)CNCC(C)=O W1126 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [1,0,0,0,0,0|1,0,2]=4 8 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [1,0,0,0,0,0|0,0,2]=3 9 B10R0.43 CC(N)(CCC(=O)O)C(=O)O 6625AH [0,1,0,0,0,0|0,0,0]=1 10 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Z3655 [0,1,0,0,0,0|1,0,0]=2 11 B10R0.84 CN[C@@H](CCC(N)=O)C(=O)O 0557AP [0,1,0,0,0,0|1,0,0]=2 12 B10R0.84 CN[C@H](CCC(N)=O)C(=O)O 0547AP [0,1,0,0,0,0|1,0,0]=2 13 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O 8046AA [0,1,0,0,0,0|2,0,0]=3 14 B10R0.93 NC(CC(F)C(=O)O)C(=O)O 8905AD [0,1,0,0,0,0|0,0,0]=1 15 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O 7033AH [0,1,0,0,0,0|0,0,0]=1 16 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O 5073AB [0,1,0,0,0,0|0,0,0]=1 17 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8584AH [0,0,0,1,0,0|1,0,1]=3 18 B10R1.13 O=C1CCC(C(=O)O)NC1 3297AJ [0,0,0,1,0,0|1,0,0]=2 19 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,0,0,1,0,0|1,0,0]=2 20 B10R1.83 CC1(C)C(N)CC1C(=O)O 9706AE [0,0,0,1,0,0|2,0,1]=4 21 B8R0.23 CC(=O)CC(N)C(=O)O 6118AB [0,0,0,0,1,0|1,0,0]=2 22 B8R0.23 CN(C)C[C@H](N)C(=O)O Q375 [0,0,0,0,1,0|3,0,0]=4 23 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [0,0,0,0,1,0|0,0,1]=2 24 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 3499AB [0,0,0,0,0,1|2,0,1]=4 25 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O 7383AA [0,0,0,0,0,1|2,0,0]=3 26 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 6731AB [0,0,0,0,0,1|0,0,0]=1 27 B10R0.98 O=C(O)CCCC(=O)C(=O)O 0052AQ [0,0,0,0,0,1|1,0,1]=3 28 B7R0.5 CC(CCN)C(=O)O 5853AB [2,0,0,0,0,0|2,0,0]=4 29 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.5 CNC[C@H](N)C(=O)O Q370 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.5 CNC[C@H](N)C(=O)O X6422 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.5 C[Se]C[C@H](N)C(=O)O 0288AP [2,0,0,0,0,0|1,0,1]=4 33 B7R0.5 NCCC(F)C(=O)O 0888AE [2,0,0,0,0,0|2,0,0]=4 34 B7R0.5 NCCC(N)C(=O)O 3213AB [2,0,0,0,0,0|1,0,0]=3 35 B9R0.47 C#CCCC[C@@H](N)C(=O)O 0447AP [1,1,0,0,0,0|1,0,1]=4 36 B9R0.47 C#CCCC[C@H](N)C(=O)O 0446AP [1,1,0,0,0,0|1,0,1]=4 37 B9R0.47 NC(CCCCO)C(=O)O 3217AB [1,1,0,0,0,0|0,0,1]=3 38 B9R0.47 N[C@@H](CCCCO)C(=O)O 8990AB [1,1,0,0,0,0|0,0,1]=3 39 B9R0.47 N[C@@H](CSCCO)C(=O)O Q367 [1,1,0,0,0,0|0,0,1]=3 40 B9R0.51 C=CCC[C@](C)(N)C(=O)O 0606AP [1,1,0,0,0,0|1,0,0]=3 41 B9R0.1 O=C(O)CCNC(=O)CCl 3961AE [1,1,0,0,0,0|2,0,0]=4 42 B9R0.53 CC(=O)NC(C)CC(=O)O 4009AD [1,1,0,0,0,0|2,0,0]=4 43 B9R0.39 CN[C@H](CC(N)=O)C(=O)O 0546AP [0,1,0,0,1,0|1,0,0]=3 44 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O X7354 [0,1,0,0,1,0|1,0,0]=3 45 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O 9056AB [0,1,0,0,1,0|0,0,0]=2 46 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 4660AB [0,1,0,0,1,0|1,0,0]=3 47 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O 7183AF [0,1,0,0,1,0|1,0,1]=4 48 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O 7391AB [0,1,0,0,0,1|0,0,0]=2 49 B11R0.150 [C@H](N)(CNC(=O)C(=O)O)C(=O)O 9338AF [0,1,0,0,0,1|0,0,1]=3 50 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O Z1638 [0,2,0,0,0,0|0,0,0]=2 51 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 8378AH [1,0,0,1,0,0|1,0,1]=4 52 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 3940AJ [1,0,0,1,0,0|1,0,1]=4 53 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 8380AH [1,0,0,1,0,0|1,0,1]=4 54 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 1615AA [1,0,0,1,0,0|1,0,1]=4 55 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [1,0,0,1,0,0|1,0,0]=3 57 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O W3466 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.95 O=C(O)C1CC(CO)C1 0418AA [1,0,0,1,0,0|1,0,1]=4 59 B9R1.163 N1CC[C@](C(=O)O)(N)C1 Z2135 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.163 N[C@@]1(C(=O)O)CCOC1 1301AL [1,0,0,1,0,0|2,0,0]=4 61 B11R1.75 O=C(O)CCC1CCC(=O)C1 4130AB [0,0,0,1,0,1|2,0,0]=4 62 B11R1.75 O=C(O)CCC1CCC(=O)N1 9629AE [0,0,0,1,0,1|2,0,0]=4 63 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 4527AB [0,0,0,1,0,1|1,0,0]=3 64 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 2771AC [0,0,0,1,0,1|1,0,0]=3 65 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 1326AB [0,0,0,1,0,1|1,0,0]=3 66 B11R1.565 O=C1CCC(C(=O)O)CCO1 6627AB [0,0,0,1,0,1|2,0,0]=4 67 B11R1.22 COC(=O)[C@H]1CNC(=O)CN1 3763AA [0,1,0,1,0,0|2,0,0]=4 68 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [1,0,0,0,1,0|1,0,1]=4 69 B7R0.2 NC[C@@H](N)CC(=O)O 6866AA [1,0,0,0,1,0|1,0,1]=4 70 B7R0.2 NC[C@H](N)CC(=O)O 6865AA [1,0,0,0,1,0|1,0,1]=4 71 B7R0.16 CC(=O)C(N)C(=O)O 0001AC [0,0,0,0,2,0|1,0,0]=3 72 B11R0.85 O=C(O)CCC(=O)NCC(=O)O 3831AL [0,0,0,0,0,2|1,0,1]=4 73 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O X5796 [0,0,0,0,0,2|1,0,0]=3 74 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O 9747AJ [0,0,0,0,0,2|2,0,0]=4 75 B11R0.29 NC(N)=NCCC[C@H](N)C(=O)O 5782AB [0,0,0,0,0,2|2,0,0]=4 76 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O 2396AB [0,0,0,0,0,2|0,0,0]=2 77 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O 3583AB [0,0,0,0,0,2|0,0,0]=2