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NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,0,0,0,0,1|1,0,0]=2 46 B8R0.7 C=CCNCCC(=O)O Z3388124649 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.7 NCCCCCC(=O)O Z1272730910 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.7 NCCOCCC(=O)O Z1262546494 [2,0,0,0,0,0|0,1,1]=4 49 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.8 CCCCC(N)C(=O)O Z57127434 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [2,0,0,0,0,0|0,1,1]=4 57 B8R0.8 COCCC(N)C(=O)O Z317025018 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.8 CSCCC(N)C(=O)O Z57127440 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.8 NCCCC(N)C(=O)O Z104476736 [2,0,0,0,0,0|0,0,1]=3 62 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [2,0,0,0,0,0|0,0,1]=3 63 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [2,0,0,0,0,0|0,0,1]=3 64 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [2,0,0,0,0,0|1,0,0]=3 65 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [1,1,0,0,0,0|0,0,1]=3 66 B10R0.75 N[C@@H](CSSCCO)C(=O)O Z1198169002 [1,1,0,0,0,0|0,0,2]=4 67 B10R0.55 CNC(=O)CCCCC(=O)O Z429593536 [1,1,0,0,0,0|1,0,0]=3 68 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [1,1,0,0,0,0|2,0,0]=4 69 B10R0.55 COC(=O)CSCCC(=O)O Z54688741 [1,1,0,0,0,0|1,0,0]=3 70 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [1,1,0,0,0,0|1,0,0]=3 71 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [1,1,0,0,0,0|2,0,0]=4 72 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,1,0|2,0,0]=4 73 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,1,0|2,0,0]=4 74 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,1,0|2,0,0]=4 75 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,1,0|2,0,0]=4 76 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,1,0|2,0,0]=4 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O=C(O)C1CSCC(N1)C(=O)O Z3824194582 [0,0,0,1,0,1|1,0,0]=3 92 B12R1.258 O=C(O)[C@@H]1CSC[C@H](N1)C(=O)O Z3913098746 [0,0,0,1,0,1|1,0,0]=3 93 B12R1.869 CC(C(=O)O)C1CCC(=O)N1C Z2732510908 [0,1,0,1,0,0|2,0,0]=4 94 B12R1.256 NC(=O)C1CCC(CC1)C(=O)O Z316121956 [0,1,0,1,0,0|2,0,0]=4 95 B12R1.256 NC(=O)[C@H]1CC[C@@H](CC1)C(=O)O Z1262523968 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.3139 CC1(N[C@@H](CS1)C(=O)O)C(=O)O Z1262514399 [0,1,0,1,0,0|1,0,0]=3 97 B12R1.901 CN1[C@@H](CC[C@@H]1C(=O)O)C(=O)N Z2689498276 [0,1,0,1,0,0|1,0,0]=3 98 B12R2.2858 O=C1CC2(N1)CC(C2)C(=O)O Z3103451990 [0,0,0,2,0,0|2,0,0]=4 99 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,0,0,0,1,0|2,0,0]=4 100 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,2,0|2,0,0]=4 101 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,0,0,2,0|2,0,0]=4 102 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,2,0|1,0,0]=3 103 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,0,0,0,2,0|2,0,0]=4 104 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,2,0|0,0,0]=2 105 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,2,0|0,0,0]=2 106 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,2,0|0,0,0]=2 107 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,2,0|2,0,0]=4 108 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,2,0|1,0,0]=3 109 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,2,0|1,0,0]=3 110 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,2,0|1,0,0]=3 111 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,2,0|2,0,0]=4 112 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,2,0|2,0,0]=4 113 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,2,0|2,0,0]=4 114 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,2,0|2,0,0]=4 115 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [1,0,0,0,0,1|1,0,0]=3 116 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [1,0,0,0,0,1|2,0,0]=4 117 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [1,0,0,0,0,1|1,0,0]=3 118 B10R0.97 O=C(O)CSCSCC(=O)O Z56759247 [1,0,0,0,0,1|1,0,0]=3 119 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O Z3466304206 [0,0,0,0,0,2|1,0,0]=3