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2230a_100000693034_100009815848 [0,0,1,0,0,0|3,0,0]=4 11 B10R0.46 CCC(C)C(C)OC(C)CO 7a_100011215189_100012180447 [0,0,1,0,0,0|3,0,0]=4 12 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [0,0,1,0,0,0|1,0,2]=4 13 B10R0.46 C[C@H](CO)N(C)CC(O)CO 269982a_100011216503_100016084084 [0,0,1,0,0,0|3,0,0]=4 14 B10R0.46 C[C@H](CO)NC(=O)C(O)CO 240690a_100000737577_100011215603 [0,0,1,0,0,0|1,0,2]=4 15 B10R0.56 CC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210206 [0,0,1,0,0,0|1,0,2]=4 16 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [1,0,1,0,0,0|2,0,0]=4 17 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [1,0,1,0,0,0|0,0,2]=4 18 B9R0.34 CC(CCO)N[C@H](C)CO 2230a_100000737577_100009893172 [1,0,1,0,0,0|2,0,0]=4 19 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100009893172_100016084084 [1,0,1,0,0,0|1,1,0]=4 20 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100016084084_100009893172 [1,0,1,0,0,0|1,1,0]=4 21 B9R0.34 CC(CF)OC(C)CCO 34a_100016041109_100009893172 [1,0,1,0,0,0|2,0,0]=4 22 B9R0.34 CC(CF)OC(C)CCO 7a_100016041109_100009893172 [1,0,1,0,0,0|2,0,0]=4 23 B9R0.34 CC(CN)OC(C)CCO 34a_100000210904_100009893172 [1,0,1,0,0,0|2,0,0]=4 24 B9R0.34 CC(CO)N[C@H](C)CCO 2230a_100000706166_100012180447 [1,0,1,0,0,0|2,0,0]=4 25 B9R0.34 CC(CO)N[C@H](C)CCO 34a_100000706166_100012180447 [1,0,1,0,0,0|2,0,0]=4 26 B9R0.34 CC(CO)OC(C)CCBr 34a_100012276601_100012180447 [1,0,1,0,0,0|2,0,0]=4 27 B9R0.34 CC(CO)SC(C)CCO 62a_100012180447_100009893172 [1,0,1,0,0,0|1,1,0]=4 28 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [1,0,1,0,0,0|2,0,0]=4 29 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [1,0,1,0,0,0|2,0,0]=4 30 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [1,0,1,0,0,0|2,0,0]=4 31 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [1,0,1,0,0,0|2,0,0]=4 32 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [1,0,1,0,0,0|2,0,0]=4 33 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [1,0,1,0,0,0|2,0,0]=4 34 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [1,0,1,0,0,0|2,0,0]=4 35 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [1,0,1,0,0,0|0,0,2]=4 36 B9R0.24 C#C[C@@H](C)OCC(O)CO 34a_100009815206_100011219619 [1,0,1,0,0,0|1,0,1]=4 37 B9R0.24 C#C[C@@H](C)OCC(O)CO 7a_100009815206_100011219619 [1,0,1,0,0,0|1,0,1]=4 38 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CO 34a_100009815206_100009815848 [1,0,1,0,0,0|1,0,1]=4 39 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CO 7a_100009815206_100009815848 [1,0,1,0,0,0|1,0,1]=4 40 B9R0.24 C=CC(C)OCC(O)CO 34a_100000695699_100011219619 [1,0,1,0,0,0|1,0,1]=4 41 B9R0.24 C=CC(C)OC[C@@H](O)CO 34a_100000695699_100009815848 [1,0,1,0,0,0|1,0,1]=4 42 B9R0.24 CC(C#N)OCC(O)CO 34a_100011218135_100011219619 [1,0,1,0,0,0|1,0,1]=4 43 B9R0.24 CC(C#N)OC[C@@H](O)CO 34a_100011218135_100009815848 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [1,0,1,0,0,0|1,0,0]=3 45 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [1,0,1,0,0,0|1,0,0]=3 46 B9R0.24 CC(CF)OC[C@@H](C)CO 34a_100016041109_100000059175 [1,0,1,0,0,0|2,0,0]=4 47 B9R0.24 CC(CF)OC[C@@H](C)CO 7a_100016041109_100000059175 [1,0,1,0,0,0|2,0,0]=4 48 B9R0.24 CC(CF)OC[C@@H](O)CF 34a_100016041109_100015614560 [1,0,1,0,0,0|2,0,0]=4 49 B9R0.24 CC(CF)OC[C@@H](O)CF 7a_100016041109_100015614560 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [1,0,1,0,0,0|1,0,0]=3 51 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [1,0,1,0,0,0|1,0,0]=3 52 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [1,0,1,0,0,0|2,0,0]=4 53 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [1,0,1,0,0,0|1,0,0]=3 54 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [1,0,1,0,0,0|2,0,0]=4 55 B9R0.24 CC(CN)OC[C@@H](O)CF 34a_100000210904_100015614560 [1,0,1,0,0,0|2,0,0]=4 56 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [1,0,1,0,0,0|1,0,0]=3 57 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [1,0,1,0,0,0|2,0,0]=4 58 B9R0.24 CC(CO)NC[C@@H](F)CO 34a_100015665980_100012180447 [1,0,1,0,0,0|2,0,0]=4 59 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [1,0,1,0,0,0|1,0,0]=3 60 B9R0.24 CC(CO)OCC(Cl)CCl 34a_100000033668_100012180447 [1,0,1,0,0,0|2,0,0]=4 61 B9R0.24 CC(CO)OC[C@H](F)CN 34a_100015665980_100012180447 [1,0,1,0,0,0|2,0,0]=4 62 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [1,0,1,0,0,0|0,1,0]=3 63 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [1,0,1,0,0,0|1,1,0]=4 64 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [1,0,1,0,0,0|1,1,0]=4 65 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [1,0,1,0,0,0|0,1,0]=3 66 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [1,0,1,0,0,0|2,0,0]=4 67 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [1,0,1,0,0,0|2,0,0]=4 68 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [1,0,1,0,0,0|2,0,0]=4 69 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [1,0,1,0,0,0|1,0,0]=3 70 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [1,0,1,0,0,0|2,0,0]=4 71 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [1,0,1,0,0,0|2,0,0]=4 72 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [1,0,1,0,0,0|1,0,0]=3 73 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [1,0,1,0,0,0|1,1,0]=4 74 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [1,0,1,0,0,0|1,1,0]=4 75 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [1,0,1,0,0,0|1,1,0]=4 76 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [1,0,1,0,0,0|1,1,0]=4 77 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [1,0,1,0,0,0|2,0,0]=4 78 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [1,0,1,0,0,0|2,0,0]=4 79 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [1,0,1,0,0,0|2,0,0]=4 80 B9R0.24 CCC(O)COC(C)CF 34a_100016041109_100011218378 [1,0,1,0,0,0|2,0,0]=4 81 B9R0.24 CCC(O)COC(C)CF 7a_100016041109_100011218378 [1,0,1,0,0,0|2,0,0]=4 82 B9R0.24 CCC(O)COC(C)CN 34a_100000210904_100011218378 [1,0,1,0,0,0|2,0,0]=4 83 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [1,0,1,0,0,0|1,1,0]=4 84 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [1,0,1,0,0,0|1,1,0]=4 85 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [1,0,1,0,0,0|1,1,0]=4 86 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [1,0,1,0,0,0|2,0,0]=4 87 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [1,0,1,0,0,0|2,0,0]=4 88 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [1,0,1,0,0,0|1,1,0]=4 89 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [1,0,1,0,0,0|1,1,0]=4 90 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [1,0,1,0,0,0|1,0,0]=3 91 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [1,0,1,0,0,0|2,0,0]=4 92 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [1,0,1,0,0,0|1,0,0]=3 93 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [1,0,1,0,0,0|0,1,0]=3 94 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [1,0,1,0,0,0|0,1,0]=3 95 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [1,0,1,0,0,0|1,1,0]=4 96 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [1,0,1,0,0,0|1,1,0]=4 97 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [1,0,1,0,0,0|0,1,0]=3 98 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [1,0,1,0,0,0|0,1,0]=3 99 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [1,0,1,0,0,0|2,0,0]=4 100 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [1,0,1,0,0,0|0,0,2]=4 101 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [2,0,0,0,0,0|2,0,0]=4 105 B13R1.422 CCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_100000210202 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.422 CCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_100000204670 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.422 OC[C@@H]1[C@H]([C@@H]([C@H](CN1CF)O)O)O 269982a_100011995873_100015361967 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.2811 CC(=O)C1O[C@H]([C@H](C([C@@H]1O)O)O)O 1458a_106744596647_200000210301 [0,2,0,0,0,0|0,0,0]=2 109 B13R1.2811 [13CH3]C(=O)C1O[C@H]([C@H](C([C@@H]1O)O)O)O 1458a_106744596647_200025704644 [0,2,0,0,0,0|0,0,0]=2 110 B11R1.228 CC(CF)OC1COCC1O 34a_100016041109_200000725654 [0,0,1,1,0,0|2,0,0]=4 111 B11R1.228 CC(CF)OC1COCC1O 7a_100016041109_200000725654 [0,0,1,1,0,0|2,0,0]=4 112 B11R1.228 CC(CN)OC1COCC1O 34a_100000210904_200000725654 [0,0,1,1,0,0|2,0,0]=4 113 B11R1.228 CC(CO)N[C@H]1COC[C@@H]1O 2230a_100015191717_100012180447 [0,0,1,1,0,0|2,0,0]=4 114 B11R1.228 CC(CO)O[C@H]1COC[C@@H]1N 34a_100015191717_100012180447 [0,0,1,1,0,0|2,0,0]=4 115 B11R1.228 CC(CO)SC1COCC1O 62a_100012180447_200000725654 [0,0,1,1,0,0|1,1,0]=4 116 B11R1.228 CCC(C)OC1COCC1O 7a_100000210228_200000725654 [0,0,1,1,0,0|2,0,0]=4 117 B11R1.228 C[C@H](CO)SC1COCC1O 62a_100016084084_200000725654 [0,0,1,1,0,0|1,1,0]=4 118 B11R1.228 C[C@H](CO)SC1COCC1O 62a_200000725654_100016084084 [0,0,1,1,0,0|1,1,0]=4 119 B11R0.110 CN(CC(O)CO)CC(O)CO 2230a_100011216503_100011219619 [0,0,1,0,0,1|2,0,0]=4 120 B11R0.110 CN(CC(O)CO)C[C@@H](O)CO 2230a_100011216503_100009815848 [0,0,1,0,0,1|2,0,0]=4 121 B11R0.120 CCC(C)C(C)OCC(O)CO 7a_100011215189_100011219619 [0,0,1,0,0,1|2,0,0]=4 122 B11R0.120 CCC(C)C(C)OC[C@@H](O)CO 7a_100011215189_100009815848 [0,0,1,0,0,1|2,0,0]=4