0 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CS-0199368 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.29 N=C(N)NCCCC(N)C(=O)O CS-0008983 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.29 N=C(N)NCCCC(N)C(=O)O CS-W015091 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CS-W015092 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CS-W017497 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.29 N=C(N)NCCC[C@@H](N)C(N)=O CS-0169392 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CS-0013325 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CS-0158451 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CS-2045 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CS-2046 [0,0,0,0,0,0|0,0,2]=2 10 B11R0.29 N=C(N)NCCC[C@H](N)C(N)=O CS-W012701 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O CS-7958 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.29 N=C(O)NCCCC(N)C(=O)O CS-W017450 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O CS-W019940 [0,0,0,0,0,0|1,0,1]=2 14 B11R0.29 NC(CCCCC(=O)O)C(=O)O CS-0201670 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O CS-0434913 [0,0,0,0,0,0|3,0,0]=3 16 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O CS-0201572 [0,0,0,0,0,0|4,0,0]=4 17 B11R0.29 [C@@H](N)(CCCNC(=N)O)C(=O)O CS-W017449 [0,0,0,0,0,0|1,0,2]=3 18 B10R0.75 CCCCCCC(N)C(=O)O CS-W016177 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.75 CCCCCC[C@@H](N)C(=O)O CS-0152326 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [1,0,0,0,0,0|3,0,0]=4 22 B10R0.97 O=C(O)CCCCCC(=O)O CS-W019990 [1,0,0,0,0,0|3,0,0]=4 23 B12R0.86 [C@@H](N)(CCCNC(=N)N)C(=O)OC CS-W012496 [0,1,0,0,0,0|0,0,2]=3 24 B12R0.86 [C@H](N)(CCCNC(=N)N)C(=O)OC CS-W012495 [0,1,0,0,0,0|0,0,2]=3 25 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O CS-0108985 [0,1,0,0,0,0|1,0,2]=4 26 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O CS-0102540 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.258 NC(=O)N1CCCC(C(=O)O)C1 CS-0213178 [0,0,0,1,0,0|2,0,1]=4 28 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C(=O)O)N1 CS-0132152 [0,0,0,1,0,0|3,0,0]=4 29 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CS-0640828 [0,0,0,0,1,0|3,0,0]=4 30 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0059618 [0,0,0,0,1,0|2,0,0]=3 31 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0415985 [0,0,0,0,1,0|2,0,0]=3 32 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O CS-0017457 [0,0,0,0,1,0|3,0,0]=4 33 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CS-W016142 [0,0,0,0,1,0|2,0,0]=3 34 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O CS-W014381 [0,0,0,0,1,0|2,0,0]=3 35 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O CS-0666528 [0,0,0,0,0,1|2,0,1]=4 36 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O CS-0059465 [0,0,0,0,0,1|2,0,1]=4 37 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O CS-0644026 [0,0,0,0,0,1|1,0,1]=3 38 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O CS-0199424 [0,0,0,0,0,1|3,0,0]=4 39 B12R0.42 [C@H](N)(CCCCNC(=N)N)C(=O)O CS-W008385 [0,0,0,0,0,1|0,0,2]=3 40 B12R0.42 [C@H](N)(CCCCNC(=N)N)C(=O)O CS-W013056 [0,0,0,0,0,1|0,0,2]=3 41 B12R0.42 [C@H](N)(CCCCNC(N)=O)C(=O)O CS-W018790 [0,0,0,0,0,1|1,0,1]=3 42 B9R0.2 C=CCCCCCC(=O)O CS-0147251 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.2 NCCCCCCC(=O)O CS-W002042 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.2 [N-]=[N+]=NCCCCC(=O)O CS-0109049 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.47 C=CCSCC(N)C(=O)O CS-0539408 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.47 C=CCSC[C@@H](N)C(=O)O CS-0100203 [2,0,0,0,0,0|2,0,0]=4 47 B9R0.47 C=CCSC[C@H](N)C(=O)O CS-W014289 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.47 CCCCCC(N)C(=O)O CS-W016364 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.47 CCCCC[C@@H](N)C(=O)O CS-0152364 [2,0,0,0,0,0|1,0,1]=4 50 B9R0.47 CCCCC[C@H](N)C(=O)O CS-W018819 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.47 NCCCCC(N)C(=O)O CS-0071275 [2,0,0,0,0,0|0,0,1]=3 52 B9R0.47 NCCCCC(N)C(=O)O CS-0201768 [2,0,0,0,0,0|0,0,1]=3 53 B9R0.47 NCCCCC(N)C(=O)O CS-7806 [2,0,0,0,0,0|0,0,1]=3 54 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-0016215 [2,0,0,0,0,0|0,0,1]=3 55 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-D1670 [2,0,0,0,0,0|0,0,1]=3 56 B9R0.47 NCCCC[C@H](N)C(=O)O CS-1184636 [2,0,0,0,0,0|0,0,1]=3 57 B9R0.47 NCCCC[C@H](N)C(=O)O CS-7885 [2,0,0,0,0,0|0,0,1]=3 58 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W016086 [2,0,0,0,0,0|0,0,1]=3 59 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W019758 [2,0,0,0,0,0|0,0,1]=3 60 B11R0.42 C=CCCCCC[C@H](N)C(=O)O CS-0006844 [1,1,0,0,0,0|2,0,0]=4 61 B11R0.42 C=CCCCCC[C@H](N)C(=O)O CS-0162412 [1,1,0,0,0,0|2,0,0]=4 62 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O CS-0201765 [1,1,0,0,0,0|1,0,1]=4 63 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O CS-0120779 [1,1,0,0,0,0|1,0,1]=4 64 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N CS-W012330 [0,2,0,0,0,0|0,0,2]=4 65 B11R1.35 NC(CC1=CN=CN1)C(=O)O CS-W010925 [1,0,0,1,0,0|0,0,2]=4 66 B11R1.35 NC(CC1=CN=CN1)C(=O)O CS-W015138 [1,0,0,1,0,0|0,0,2]=4 67 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O CS-0166870 [1,0,0,1,0,0|0,0,2]=4 68 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O CS-W013288 [1,0,0,1,0,0|0,0,2]=4 69 B11R1.35 [C@H](N)(CC1=CN=CN1)C(=O)O CS-W015139 [1,0,0,1,0,0|0,0,2]=4 70 B9R0.7 N=C(N)NC[C@H](N)C(=O)O CS-0162060 [0,0,0,0,2,0|0,0,2]=4 71 B9R0.7 NC(=O)CCC(N)C(=O)O CS-4898 [0,0,0,0,2,0|1,0,0]=3 72 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CS-6029 [0,0,0,0,2,0|1,0,0]=3 73 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CS-1947 [0,0,0,0,2,0|1,0,0]=3 74 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CS-0079579 [0,0,0,0,2,0|1,0,1]=4 75 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W010824 [0,0,0,0,2,0|2,0,0]=4 76 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0003473 [0,0,0,0,2,0|2,0,0]=4 77 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0043360 [0,0,0,0,2,0|2,0,0]=4 78 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0539410 [0,0,0,0,2,0|2,0,0]=4 79 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-W017035 [0,0,0,0,2,0|2,0,0]=4 80 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CS-6255 [0,0,0,0,2,0|2,0,0]=4 81 B11R0.30 NC(=O)NCCCCCC(=O)O CS-0308790 [1,0,0,0,0,1|1,0,1]=4