0 B10R0.96 NC(CCC(=O)O)CC(=O)O A18193 [0,1,0,0,0,0|0,0,0]=1 1 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O S0868 [0,1,0,0,0,0|1,0,0]=2 2 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O S0868 [0,1,0,0,0,0|1,0,0]=2 3 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O A2149 [0,1,0,0,0,0|0,0,0]=1 4 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O A2149 [0,1,0,0,0,0|0,0,0]=1 5 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O A7505 [0,1,0,0,0,0|0,0,0]=1 6 B10R1.54 CC1CCC(CC(=O)O)N1 M4466 [0,0,0,1,0,0|2,0,1]=4 7 B10R1.54 O=C(O)CN1CCC(=O)C1 O15897 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.54 O=C(O)CN1CC[C@H](O)C1 H14365 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.113 CC1CCCC(C(=O)O)N1 M7284 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.113 O=C(O)C1CNCC(O)C1 H13087 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.113 O=C1CCCC(C(=O)O)N1 O14392 [0,0,0,1,0,0|1,0,0]=2 12 B8R0.28 C=C(Cl)CCCC(=O)O C15670 [0,0,0,0,1,0|2,0,0]=3 13 B8R0.28 O=C(O)CCCC(=O)O G18793 [0,0,0,0,1,0|0,0,0]=1 14 B10R0.97 O=C(O)CCNCCC(=O)O B12924 [0,0,0,0,0,1|0,0,0]=1 15 B7R0.4 C=CCNCC(=O)O A18405 [2,0,0,0,0,0|1,0,1]=4 16 B7R0.4 CC(=O)CCCCCl C18888 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.4 O=C(Cl)CCCCBr B9001 [2,0,0,0,0,0|2,0,0]=4 18 B9R0.47 NCCCCC(N)C(=O)O L0399 [1,1,0,0,0,0|1,0,1]=4 19 B9R0.47 NCCCC[C@@H](N)C(=O)O H8309 [1,1,0,0,0,0|1,0,1]=4 20 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [1,1,0,0,0,0|1,0,1]=4 21 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [1,1,0,0,0,0|1,0,1]=4 22 B9R0.47 NCCCC[C@H](N)C(=O)O L6200 [1,1,0,0,0,0|1,0,1]=4 23 B9R0.47 NCCCC[C@H](N)C(=O)O L6279 [1,1,0,0,0,0|1,0,1]=4 24 B9R0.47 NCCCC[C@H](N)C(=O)O L6356 [1,1,0,0,0,0|1,0,1]=4 25 B9R0.47 N[C@@H](CSCCO)C(=O)O H7677 [1,1,0,0,0,0|1,0,1]=4 26 B9R0.47 N[C@H](CSCCO)C(=O)O A7678 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.7 NC(=O)CC[C@H](N)C(=O)O G1257 [0,1,0,0,1,0|1,0,0]=3 28 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G3122 [0,1,0,0,1,0|0,0,0]=2 29 B9R0.7 N[C@H](CCC(=O)O)C(=O)O G6090 [0,1,0,0,1,0|0,0,0]=2 30 B9R0.56 O=C(O)CNCP(=O)(O)O G0350 [0,1,0,0,1,0|2,0,0]=4 31 B11R0.29 N=C(N)NCCCC(N)C(=O)O A3235 [0,1,0,0,0,1|2,0,0]=4 32 B11R0.29 N=C(N)NCCCC(N)C(=O)O A6323 [0,1,0,0,0,1|2,0,0]=4 33 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O D6087 [0,1,0,0,0,1|2,0,0]=4 34 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O A10468 [0,1,0,0,0,1|2,0,0]=4 35 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O A19123 [0,1,0,0,0,1|2,0,0]=4 36 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O A3236 [0,1,0,0,0,1|2,0,0]=4 37 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O A9472 [0,1,0,0,0,1|2,0,0]=4 38 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O C11125 [0,1,0,0,0,1|1,0,0]=3 39 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O C2557 [0,1,0,0,0,1|1,0,0]=3 40 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O C2557 [0,1,0,0,0,1|1,0,0]=3 41 B11R0.106 NNC(=O)CCCCC(=O)NN A1160 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.6 O=C(O)C1CC=CCC1 C3660 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.6 O=C(O)C1CCCCC1 C18818 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.6 O=C(O)C1CCCCN1 P3033 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.6 O=C(O)C1CCCCN1 P3033 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.6 O=C(O)C1CCCCN1 P4996 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.6 O=C(O)C1CCCNC1 P4047 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.6 O=C(O)C1CNCCO1 M14076 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.6 O=C(O)[C@@H]1CCCNC1 P7231 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.6 O=C(O)[C@H]1CCCNC1 P7232 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.13 O=C(O)CC1CCCN1 P4464 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.13 O=C(O)C[C@@H]1CCCN1 H17104 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.13 O=C(O)C[C@H]1CCNC1 P14085 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.41 NC1CCCC1C(=O)O A14514 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O A3768 [1,0,0,1,0,0|1,0,1]=4 58 B9R1.35 O=C1CCC(C(=O)O)N1 P19419 [0,0,0,1,1,0|1,0,0]=3 59 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,0,0,1,1,0|1,0,0]=3 60 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,0,0,1,1,0|1,0,0]=3 61 B9R1.35 O=C1N[C@H](C(=O)O)CS1 O5524 [0,0,0,1,1,0|2,0,0]=4 62 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O A1987 [0,0,0,1,0,1|1,0,0]=3 63 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O P6337 [0,0,0,1,0,1|1,0,0]=3 64 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O A11795 [0,0,0,1,0,1|2,0,0]=4 65 B11R1.178 CC(=O)N1CSCC1C(=O)O A8032 [0,0,0,1,0,1|2,0,0]=4 66 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O P13541 [0,0,0,1,0,1|0,0,0]=2 67 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,0,0,0,2,0|2,0,0]=4