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N[C@@H](CCCCC(=O)O)C(=O)O CS-0434913 [0,1,0,0,0,0|1,0,0]=2 17 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O CS-0201572 [0,1,0,0,0,0|0,0,0]=1 18 B11R0.29 [C@@H](N)(CCCNC(=N)O)C(=O)O CS-W017449 [0,1,0,0,0,0|3,0,0]=4 19 B11R0.85 O=C(O)CSC(=S)SCC(=O)O CS-0110494 [0,1,0,0,0,0|3,0,0]=4 20 B11R0.111 COC(=O)CCCCCC(=O)O CS-W001494 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.157 O=C(O)CC1CCCC(=O)C1 CS-0252237 [0,0,0,1,0,0|2,0,0]=3 22 B11R1.178 CC(=O)N1CCCC1C(=O)O CS-0155039 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CS-W017974 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CS-W004114 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.178 CC(=O)N1CSCC1C(=O)O CS-0043356 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O CS-0155033 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.178 [C@@H]1(C(=O)O)CCC[C@H]1C(=O)O CS-W010899 [0,0,0,1,0,0|1,0,0]=2 28 B11R1.178 [C@H]1(C(=O)O)CCC[C@H]1C(=O)O CS-W010898 [0,0,0,1,0,0|1,0,0]=2 29 B9R0.55 CC(=O)CCCCC(=O)O CS-W008210 [0,0,0,0,1,0|1,0,0]=2 30 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [0,0,0,0,1,0|3,0,0]=4 31 B9R0.55 CC(C)CCCCC(=O)O CS-0154230 [0,0,0,0,1,0|2,0,1]=4 32 B9R0.55 CN(C)CCCCC(=O)O CS-0151284 [0,0,0,0,1,0|3,0,0]=4 33 B9R0.55 CN(C)CCCCC(=O)O CS-0151285 [0,0,0,0,1,0|3,0,0]=4 34 B9R0.55 N=C(N)NCCCC(=O)O CS-0059514 [0,0,0,0,1,0|3,0,0]=4 35 B9R0.55 O=C(O)CCCCC(=O)O CS-W018238 [0,0,0,0,1,0|0,0,0]=1 36 B9R0.55 O=C(O)CSSCC(=O)O CS-0158473 [0,0,0,0,1,0|1,0,0]=2 37 B9R0.55 O=C(O)C\C=C\CC(=O)O CS-0099509 [0,0,0,0,1,0|0,0,2]=3 38 B11R0.30 CC(=O)CCCCCCC(C)=O CS-0155059 [0,0,0,0,0,1|3,0,0]=4 39 B11R0.30 NC(=O)NCCCCCC(=O)O CS-0308790 [0,0,0,0,0,1|2,0,0]=3 40 B11R0.30 O=C(O)CCCCCCC(=O)O CS-W016016 [0,0,0,0,0,1|1,0,0]=2 41 B11R0.30 O=C(O)CCCNCCC(=O)O CS-0889596 [0,0,0,0,0,1|1,0,0]=2 42 B11R0.30 O=C(O)CCSSCCC(=O)O CS-W015111 [0,0,0,0,0,1|0,0,0]=1 43 B11R0.30 O=C(O)CC\C=C\CCC(=O)O CS-0207664 [0,0,0,0,0,1|1,0,0]=2 44 B11R0.30 O=C(O)COCCOCC(=O)O CS-W004945 [0,0,0,0,0,1|2,0,0]=3 45 B11R0.30 O=C(O)CSCCSCC(=O)O CS-0204781 [0,0,0,0,0,1|2,0,0]=3 46 B8R0.7 C#CCCCCC(=O)O CS-0020150 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.7 C=CCCCCC(=O)O CS-0097711 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.7 NCCCCCC(=O)O CS-2204 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.7 O=C(O)CCCCCBr CS-W007559 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.7 O=C(O)CCCCCCl CS-W018132 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.7 O=C(O)CCCCCO CS-0158392 [2,0,0,0,0,0|0,0,1]=3 52 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.7 O=C(O)CCOCCBr CS-0107735 [2,0,0,0,0,0|1,1,0]=4 54 B8R0.7 O=C(O)CCOCCO CS-0066172 [2,0,0,0,0,0|0,1,0]=3 55 B8R0.7 O=C(O)CCOCCO CS-0528773 [2,0,0,0,0,0|0,1,0]=3 56 B8R0.7 O=C([O-])CCCCCO CS-0158395 [2,0,0,0,0,0|0,0,2]=4 57 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.74 COC(=O)CCCCCCO CS-0059718 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.75 N[C@@H](CSCCCO)C(=O)O CS-2479 [1,1,0,0,0,0|0,0,1]=3 60 B10R0.96 CC(=O)CC(=O)CCC(=O)O CS-W010900 [0,1,0,0,1,0|1,0,1]=4 61 B10R0.96 CC(CCC(=O)O)CC(=O)O CS-0059490 [0,1,0,0,1,0|0,0,0]=2 62 B10R0.96 NC(CCC(=O)O)CC(=O)O CS-0169325 [0,1,0,0,1,0|0,0,0]=2 63 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O CS-0373285 [0,1,0,0,1,0|0,0,0]=2 64 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CS-0640828 [0,1,0,0,1,0|2,0,0]=4 65 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0059618 [0,1,0,0,1,0|0,0,0]=2 66 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0415985 [0,1,0,0,1,0|0,0,0]=2 67 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O CS-0017457 [0,1,0,0,1,0|0,0,0]=2 68 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CS-W016142 [0,1,0,0,1,0|0,0,0]=2 69 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O CS-W014381 [0,1,0,0,1,0|0,0,0]=2 70 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O CS-0666528 [0,1,0,0,0,1|2,0,0]=4 71 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O CS-0059465 [0,1,0,0,0,1|2,0,0]=4 72 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O CS-0644026 [0,1,0,0,0,1|2,0,0]=4 73 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O CS-0199424 [0,1,0,0,0,1|1,0,0]=3 74 B12R0.42 [C@H](N)(CCCCNC(N)=O)C(=O)O CS-W018790 [0,1,0,0,0,1|2,0,0]=4 75 B12R0.184 COC(=O)CCCCCCC(=O)O CS-W001958 [0,1,0,0,0,1|1,0,0]=3 76 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O CS-0437382 [0,2,0,0,0,0|0,0,0]=2 77 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O CS-0102540 [0,2,0,0,0,0|1,0,0]=3 78 B12R0.183 COC(=O)CCCCCC(=O)OC CS-W001472 [0,2,0,0,0,0|1,0,0]=3 79 B12R0.183 COC(=O)CCSCCC(=O)OC CS-0150683 [0,2,0,0,0,0|0,0,0]=2 80 B12R0.277 CCOC(=O)CCCCCC(=O)O CS-W016803 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.18 O=C(O)CC1CCCCO1 CS-0069618 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.39 O=CN1CCC[C@H]1C(=O)O CS-0607923 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.61 CC(=O)C1CCCCC1=O CS-D1351 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.61 O=C(O)C1CCCCC1O CS-W006852 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.61 O=C(O)C1CCCNC1=O CS-0186681 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.64 O=C(O)CN1CCCC1=O CS-W005106 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.54 O=C(O)CC1CCC(=O)C1 CS-0145408 [0,0,0,1,1,0|1,0,0]=3 88 B10R1.82 O=C(O)CCC1CC(=O)C1 CS-0051756 [0,0,0,1,1,0|1,0,0]=3 89 B10R1.113 O=C(O)C1CCCC(O)C1 CS-0155422 [0,0,0,1,1,0|1,0,1]=4 90 B10R1.113 O=C1CC(C(=O)O)CCN1 CS-W006096 [0,0,0,1,1,0|2,0,0]=4 91 B10R1.113 O=C1CCCC(C(=O)O)C1 CS-0044016 [0,0,0,1,1,0|1,0,0]=3 92 B10R1.113 O=C1CCCC(C(=O)O)N1 CS-0099890 [0,0,0,1,1,0|1,0,0]=3 93 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 CS-W018258 [0,0,0,1,1,0|1,0,0]=3 94 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 CS-0101607 [0,0,0,1,1,0|1,0,0]=3 95 B10R1.113 O=C1CSCC(C(=O)O)N1 CS-0345470 [0,0,0,1,1,0|1,0,0]=3 96 B10R1.361 [C@@H]1(C(=O)O)CC[C@H]1C(=O)O CS-W016393 [0,0,0,1,1,0|0,0,0]=2 97 B10R1.361 [C@H]1(C(=O)O)CC[C@H]1C(=O)O CS-W016394 [0,0,0,1,1,0|0,0,0]=2 98 B12R1.261 CC(=O)N1CCCCC1C(=O)O CS-0037902 [0,0,0,1,0,1|2,0,0]=4 99 B12R1.261 O=C(O)C1=C(C(=O)O)CCCC1 CS-0527685 [0,0,0,1,0,1|1,0,1]=4 100 B12R1.261 O=C(O)C1CC=CCC1C(=O)O CS-0146872 [0,0,0,1,0,1|1,0,0]=3 101 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O CS-0031455 [0,0,0,1,0,1|1,0,0]=3 102 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O CS-W010771 [0,0,0,1,0,1|1,0,0]=3 103 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O CS-0083770 [0,0,0,1,0,1|1,0,0]=3 104 B12R1.261 [C@H]1(C(=O)O)CC=CC[C@H]1C(=O)O CS-W013232 [0,0,0,1,0,1|1,0,0]=3 105 B12R1.261 [C@H]1(C(=O)O)CCCC[C@@H]1C(=O)O CS-W017609 [0,0,0,1,0,1|1,0,0]=3 106 B12R1.261 [C@H]1(C(=O)O)CCCC[C@H]1C(=O)O CS-W017612 [0,0,0,1,0,1|1,0,0]=3 107 B12R1.258 O=C(O)C1CCCC(C(=O)O)C1 CS-W022620 [0,1,0,1,0,0|1,0,0]=3 108 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](C(=O)O)C1 CS-0047745 [0,1,0,1,0,0|1,0,0]=3 109 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C(=O)O)N1 CS-0132152 [0,1,0,1,0,0|1,0,0]=3 110 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C(=O)O)C1 CS-0047351 [0,1,0,1,0,0|1,0,0]=3 111 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)C1 CS-0001962 [0,1,0,1,0,0|1,0,0]=3 112 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)O1 CS-0452707 [0,1,0,1,0,0|2,0,0]=4 113 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O CS-M0977 [0,1,0,1,0,0|1,0,0]=3 114 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,0,0,0,2,0|1,0,0]=3 115 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,0,0,0,2,0|2,0,0]=4 116 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [0,0,0,0,2,0|1,0,0]=3 117 B8R0.28 N=C(N)SCCC(=O)O CS-W018186 [0,0,0,0,2,0|2,0,0]=4 118 B8R0.28 NC(=O)CCCC(N)=O CS-0012581 [0,0,0,0,2,0|2,0,0]=4 119 B8R0.28 NC(=O)COCC(=O)O CS-0318293 [0,0,0,0,2,0|1,1,0]=4 120 B8R0.28 NC(=O)NCCC(=O)O CS-0059512 [0,0,0,0,2,0|2,0,0]=4 121 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [0,0,0,0,2,0|0,0,0]=2 122 B8R0.28 O=C(O)CCC[N+](=O)[O-] CS-0198123 [0,0,0,0,2,0|1,0,1]=4 123 B8R0.28 O=C(O)CNCC(=O)O CS-W013399 [0,0,0,0,2,0|1,0,0]=3 124 B8R0.28 O=C(O)COCC(=O)O CS-0158474 [0,0,0,0,2,0|0,1,0]=3 125 B8R0.28 O=C(O)CSCC(=O)O CS-W013299 [0,0,0,0,2,0|0,0,0]=2 126 B8R0.28 O=C(O)\C=C\CC(=O)O CS-0106651 [0,0,0,0,2,0|0,0,2]=4 127 B12R0.268 O=C(O)CCCCCCCC(=O)O CS-4316 [0,0,0,0,0,2|1,0,0]=3