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B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [1,0,0,0,0,0|0,0,0]=1 17 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [1,0,0,0,0,0|1,0,0]=2 18 B10R0.97 O=C(O)CSCSCC(=O)O Z56759247 [1,0,0,0,0,0|2,0,0]=3 19 B12R0.186 COC(=O)CCCCC(C)C(=O)C Z1419001678 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O Z85893766 [0,0,0,1,0,0|3,0,0]=4 21 B12R1.258 NC(=O)C1CC(CCN1)C(=O)O Z1422040350 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O Z1157726699 [0,0,0,1,0,0|2,0,0]=3 23 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O Z104510598 [0,0,0,1,0,0|3,0,0]=4 24 B12R1.258 O=C(O)C1CCCC(C1)C(=O)O Z443356938 [0,0,0,1,0,0|1,0,0]=2 25 B12R1.258 O=C(O)C1CSCC(N1)C(=O)O Z3824194582 [0,0,0,1,0,0|1,0,0]=2 26 B12R1.258 O=C(O)[C@@H]1CSC[C@H](N1)C(=O)O Z3913098746 [0,0,0,1,0,0|1,0,0]=2 27 B12R1.258 O=C(O)[C@H]1CCC[C@H](C1)C(=O)O Z1255446499 [0,0,0,1,0,0|1,0,0]=2 28 B12R1.1056 CC1(C(CC1CCC(=O)O)N)C Z2442102811 [0,0,0,1,0,0|2,0,1]=4 29 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,0,0,0,1,0|2,0,1]=4 30 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,0,0,0,1,0|2,0,1]=4 31 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,1,0|1,0,0]=2 32 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,1,0|0,0,0]=1 33 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O Z3466304206 [0,0,0,0,0,1|1,0,0]=2 34 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.2 C=CCOCCCC(=O)O Z362807808 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.2 CCCCCCCC(=O)O Z104495238 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.2 NCCCCCCC(=O)O Z56896351 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.2 O=C(O)CCNCCCO Z53116999 [2,0,0,0,0,0|1,0,1]=4 39 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [2,0,0,0,0,0|1,0,1]=4 40 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [2,0,0,0,0,0|0,0,1]=3 41 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [2,0,0,0,0,0|0,0,1]=3 42 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [2,0,0,0,0,0|1,0,1]=4 43 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [2,0,0,0,0,0|0,0,2]=4 46 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [2,0,0,0,0,0|0,0,1]=3 47 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [2,0,0,0,0,0|1,0,1]=4 50 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [2,0,0,0,0,0|1,0,0]=3 52 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [2,0,0,0,0,0|1,0,0]=3 53 B11R0.42 C#CCCCCCC(N)C(=O)O Z4920921873 [1,1,0,0,0,0|1,0,1]=4 54 B11R0.76 CCCCCCC(NC)C(=O)O Z446011802 [1,1,0,0,0,0|1,0,1]=4 55 B11R0.125 CCCCCCC(C)(N)C(=O)O Z362825342 [1,1,0,0,0,0|1,0,1]=4 56 B11R0.31 NS(=O)(=O)CCCCCC(=O)O Z1262522340 [1,1,0,0,0,0|1,0,1]=4 57 B11R0.85 CN(CCC(=O)O)CCC(=O)O Z1459937563 [1,1,0,0,0,0|1,0,0]=3 58 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Z608592516 [1,1,0,0,0,0|1,0,1]=4 59 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Z1198160459 [1,1,0,0,0,0|1,0,0]=3 60 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,1,0,0,1,0|1,0,0]=3 61 B13R0.353 NC(CSSCC(N)C(=O)O)C(=O)O Z56346947 [0,1,0,0,0,1|1,0,0]=3 62 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O Z1269145231 [0,1,0,0,0,1|1,0,0]=3 63 B13R0.353 N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O Z1269180278 [0,1,0,0,0,1|1,0,0]=3 64 B11R1.20 NC1CCC(CC1)CC(=O)O Z3243726577 [1,0,0,1,0,0|1,0,1]=4 65 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Z1255418104 [1,0,0,1,0,0|1,0,1]=4 66 B11R1.75 NC1CCC(C1)CCC(=O)O Z4390881825 [1,0,0,1,0,0|1,0,1]=4 67 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [1,0,0,1,0,0|1,0,1]=4 68 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.35 NC(CC1CCCC1)C(=O)O Z1558210079 [1,0,0,1,0,0|1,0,1]=4 70 B11R1.35 NC(CC1CCCO1)C(=O)O Z317025024 [1,0,0,1,0,0|0,0,1]=3 71 B11R1.35 NC(CC1CCOC1)C(=O)O Z2740400903 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.35 NC(CC1CCSC1)C(=O)O Z3465027322 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [1,0,0,1,0,0|1,0,1]=4 74 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [1,0,0,1,0,0|1,0,1]=4 75 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [1,0,0,1,0,0|0,0,0]=2 76 B11R1.520 CC1(CCCNC1=O)C(=O)O Z1262521202 [1,0,0,1,0,0|2,0,0]=4 77 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [1,0,0,1,0,0|1,0,1]=4 78 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [1,0,0,1,0,0|1,0,1]=4 79 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [1,0,0,1,0,0|1,0,1]=4 80 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [1,0,0,1,0,0|2,0,0]=4 81 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [1,0,0,1,0,0|1,0,1]=4 82 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [1,0,0,1,0,0|1,0,0]=3 83 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [1,0,0,1,0,0|1,0,0]=3 84 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [1,0,0,1,0,0|1,0,1]=4 85 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [1,0,0,1,0,0|2,0,0]=4 87 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [1,0,0,1,0,0|2,0,0]=4 88 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [1,0,0,1,0,0|2,0,0]=4 89 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O Z1255487192 [1,0,0,1,0,0|0,0,2]=4 90 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [1,0,0,1,0,0|0,0,0]=2 91 B11R1.178 O=C(O)C1COCC1C(=O)O Z1262521635 [1,0,0,1,0,0|1,0,0]=3 92 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Z2307407859 [1,0,0,1,0,0|1,0,0]=3 93 B11R1.234 O=C(O)CC1CCCS1(=O)=O Z1736161208 [1,0,0,1,0,0|1,0,1]=4 94 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,0,0,1,1,0|2,0,0]=4 95 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,0,0,1,1,0|1,0,0]=3 96 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,0,0,1,1,0|1,0,0]=3 97 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,0,0,1,1,0|1,0,0]=3 98 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,0,0,1,1,0|1,0,0]=3 99 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Z2255110079 [0,0,0,1,1,0|2,0,0]=4 100 B13R1.543 COC(=O)C1CCCC(C1)C(=O)O Z445153370 [0,1,0,1,0,0|1,0,0]=3 101 B13R1.543 COC(=O)N1CCCC(C1)C(=O)O Z192960162 [0,1,0,1,0,0|2,0,0]=4 102 B13R1.543 COC(=O)[C@@H]1CCC[C@@H](N1)C(=O)O Z4613327913 [0,1,0,1,0,0|0,0,0]=2 103 B13R1.126 O=C(O)[C@@H]1C[C@@H](C[C@@H](C1)C(=O)O)O Z3325143012 [0,1,0,1,0,0|1,0,0]=3 104 B13R1.6164 NC(CC1CCS(=O)(=O)C1)C(=O)O Z3465027320 [0,1,0,1,0,0|1,0,1]=4 105 B13R1.8652 NC(=O)C1CCCC(CC1)C(=O)O Z4778991002 [0,1,0,1,0,0|2,0,0]=4 106 B13R1.8780 CC1(CCCC(C1)C(=O)O)C(=O)O Z1509084339 [0,1,0,1,0,0|1,0,0]=3 107 B13R2.4742 O=C1NC2CCC1CC2C(=O)O Z5398166577 [0,0,0,2,0,0|2,0,0]=4 108 B13R2.400 C[C@@H]1C[C@@H]2N[C@@H](C[C@@H]2O1)C(=O)O Z3388418969 [0,0,0,2,0,0|1,0,1]=4 109 B13R2.4695 O=C(O)[C@@H]1C[C@@H]2C[C@H](C1)C(=O)N2 Z5352464609 [0,0,0,2,0,0|2,0,0]=4 110 B13R2.4817 O=C1CCC[C@@H]2[C@H]1[C@@]2(Cl)C(=O)O Z4458376394 [0,0,0,2,0,0|2,0,0]=4 111 B13R2.13714 NC(=O)C12CCCC1(C2)C(=O)O Z1262535373 [0,0,0,2,0,0|2,0,0]=4 112 B13R2.13714 O=C(O)C12CCCC1(C2)C(=O)O Z1262514873 [0,0,0,2,0,0|1,0,0]=3 113 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,2,0|1,0,0]=3 114 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,2,0|2,0,0]=4 115 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,2,0|1,0,0]=3 116 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,2,0|1,0,0]=3 117 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,2,0|1,0,0]=3 118 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,2,0|0,0,0]=2 119 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,2,0|0,0,0]=2 120 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,2,0|0,0,0]=2 121 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,2,0|1,0,1]=4 122 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [1,0,0,0,0,1|2,0,0]=4 123 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [1,0,0,0,0,1|1,0,0]=3 124 B11R0.30 CC(=O)NCCCCCC(=O)N Z68591091 [1,0,0,0,0,1|2,0,0]=4 125 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [1,0,0,0,0,1|1,0,0]=3 126 B11R0.30 NC(=O)NCCCCCC(=O)O Z90122369 [1,0,0,0,0,1|1,0,0]=3 127 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [1,0,0,0,0,1|0,0,0]=2 128 B11R0.30 O=C(O)COCCOCC(=O)O Z104477844 [1,0,0,0,0,1|1,0,0]=3