0 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,0,0,0,0,0|0,0,3]=4 33 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,0,0,0,0|3,0,0]=4 57 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,1,0,0,0,0|1,0,0]=2 61 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [0,1,0,0,0,0|1,0,2]=4 63 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.29 CN(CF)[C@@H](CO)C(=O)O 269956a_100015362447_100015361967 [0,1,0,0,0,0|3,0,0]=4 68 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,0,0,0,0,1|3,0,0]=4 69 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [0,0,0,0,0,1|1,0,2]=4 70 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [0,0,0,0,0,1|0,0,3]=4 71 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,0,0,0,0,1|3,0,0]=4 72 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,0,0,0,0,1|3,0,0]=4 73 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,0,0,0,0,1|3,0,0]=4 74 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,0,0,0,0,1|3,0,0]=4 75 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,0,0,0,0,1|3,0,0]=4 76 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,0,0,0,0,1|3,0,0]=4 77 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,0,0,0,0,1|3,0,0]=4 78 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,0,0,0,0,1|3,0,0]=4 79 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,0,0,0,0,1|3,0,0]=4 80 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,0,0,0,0,1|2,0,1]=4 81 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,0,0,0,0,1|3,0,0]=4 82 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,0,0,0,0,1|3,0,0]=4 83 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,0,0,0,0,1|3,0,0]=4 84 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,0,0,0,0,1|3,0,0]=4 85 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,0,0,0,0,1|2,0,1]=4 86 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,0,0,0,0,1|3,0,0]=4 87 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,0,0,0,0,1|3,0,0]=4 88 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,0,0,0,0,1|3,0,0]=4 89 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,0,0,0,0,1|3,0,0]=4 90 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,0,0,0,0,1|3,0,0]=4 91 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,0,0,0,0,1|2,0,0]=3 92 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,0,0,0,0,1|3,0,0]=4 93 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,0,0,0,0,1|3,0,0]=4 94 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,0,0,0,0,1|2,0,1]=4 95 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,0,0,0,0,1|2,0,1]=4 96 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|1,0,0]=3 118 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|1,0,0]=3 137 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [2,0,0,0,0,0|1,0,0]=3 140 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [1,1,0,0,0,0|1,0,0]=3 151 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 163 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|0,0,2]=4 166 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,1,0,0,0,0|2,0,0]=4 182 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [1,1,0,0,0,0|2,0,0]=4 185 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,1,0,0,0,0|2,0,0]=4 186 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,1,0,0,0,0|2,0,0]=4 188 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [1,1,0,0,0,0|2,0,0]=4 189 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|2,0,0]=4 191 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|2,0,0]=4 193 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|1,1,0]=4 197 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|1,1,0]=4 198 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [1,1,0,0,0,0|2,0,0]=4 206 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [1,1,0,0,0,0|2,0,0]=4 208 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [1,1,0,0,0,0|2,0,0]=4 209 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,1,0,0,0,0|2,0,0]=4 210 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [1,1,0,0,0,0|1,0,1]=4 211 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [1,1,0,0,0,0|1,0,1]=4 212 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [1,1,0,0,0,0|1,0,1]=4 213 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 214 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 215 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|2,0,0]=4 218 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|2,0,0]=4 219 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|2,0,0]=4 220 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,1,0,0,0,0|2,0,0]=4 221 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [1,1,0,0,0,0|2,0,0]=4 222 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [1,1,0,0,0,0|1,0,0]=3 223 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [1,1,0,0,0,0|2,0,0]=4 224 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [1,1,0,0,0,0|2,0,0]=4 225 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [1,1,0,0,0,0|1,0,0]=3 226 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [1,1,0,0,0,0|2,0,0]=4 227 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [1,1,0,0,0,0|2,0,0]=4 228 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [1,1,0,0,0,0|2,0,0]=4 229 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [1,1,0,0,0,0|2,0,0]=4 230 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [1,1,0,0,0,0|2,0,0]=4 231 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [1,1,0,0,0,0|2,0,0]=4 232 B10R0.46 COC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747449 [0,1,0,0,0,1|0,0,2]=4 233 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,1,0,0,0,1|2,0,0]=4 234 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,1,0,0,0,1|2,0,0]=4 235 B10R0.53 C=C[C@H](N[C@H](C)CO)C(=O)O 269956a_100016992060_100016084084 [0,1,0,0,0,1|2,0,0]=4 236 B10R0.53 CC(CO)N[C@@H](CO)C(=O)N 2230a_100000729942_100012180447 [0,1,0,0,0,1|2,0,0]=4 237 B10R0.53 CC(CO)N[C@@H](CO)C(=O)N 34a_100000729942_100012180447 [0,1,0,0,0,1|2,0,0]=4 238 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,1,0,0,0,1|2,0,0]=4 239 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,1,0,0,0,1|2,0,0]=4 240 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,1,0,0,0,1|1,0,0]=3 241 B10R0.67 C[C@H](NC(F)(F)CO)C(=O)O 269956a_100000743915_100011217949 [0,1,0,0,0,1|2,0,0]=4 242 B10R0.72 CC(=O)C(C)NC(CO)CO 2230a_100000759517_100009814033 [0,1,0,0,0,1|2,0,0]=4 243 B10R0.72 CC(NC(CO)CO)C(=O)N 2230a_100000759517_100000702099 [0,1,0,0,0,1|2,0,0]=4 244 B10R0.72 NC(=O)C(F)NC(CO)CO 2230a_100000759517_100009813875 [0,1,0,0,0,1|2,0,0]=4 245 B10R0.35 C#CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000184674 [0,2,0,0,0,0|1,0,0]=3 246 B10R0.35 C=CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210623 [0,2,0,0,0,0|1,0,0]=3 247 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,2,0,0,0,0|1,0,0]=3 248 B10R0.35 CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015525214_100015448053 [0,2,0,0,0,0|1,0,0]=3 249 B10R0.35 N#CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011214920 [0,2,0,0,0,0|1,0,0]=3 250 B10R0.35 O=C(CCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011217306 [0,2,0,0,0,0|1,0,0]=3 251 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [0,2,0,0,0,0|0,0,0]=2 252 B10R0.101 CN(CCO)[C@@H](CO)C(=O)O 269956a_100015362447_100000211926 [0,2,0,0,0,0|2,0,0]=4 253 B10R0.101 COCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000766300 [0,2,0,0,0,0|2,0,0]=4 254 B10R0.51 COC(=O)C(CO)C(=O)CO 1458a_100000210174_100012276630 [0,2,0,0,0,0|0,0,2]=4 255 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [1,0,0,1,0,0|2,0,0]=4 269 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100015343762 [0,0,0,1,0,1|2,0,0]=4 270 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100015343762 [0,0,0,1,0,1|2,0,0]=4 271 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100103153847 [0,0,0,1,0,1|2,0,0]=4 272 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,0,0,1,0,1|2,0,0]=4 273 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [1,0,0,0,0,1|2,0,0]=4 274 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,0,0,0,0,1|2,0,0]=4 275 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,0,0,0,0,1|2,0,0]=4 276 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [1,0,0,0,0,1|2,0,0]=4 277 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [1,0,0,0,0,1|2,0,0]=4 278 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,0,0,0,0,1|1,0,0]=3 279 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,0,0,0,0,1|1,0,0]=3 280 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [1,0,0,0,0,1|2,0,0]=4 281 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [1,0,0,0,0,1|2,0,0]=4 282 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [1,0,0,0,0,1|1,0,1]=4 283 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,0,0,0,0,1|2,0,0]=4 284 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,0,0,0,0,1|2,0,0]=4 285 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,0,0,0,0,1|2,0,0]=4 286 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,0,0,0,0,1|2,0,0]=4 287 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [1,0,0,0,0,1|2,0,0]=4 288 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,0,0,0,0,1|1,0,0]=3 289 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [1,0,0,0,0,1|2,0,0]=4 290 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [1,0,0,0,0,1|2,0,0]=4 291 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [1,0,0,0,0,1|1,0,1]=4 292 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [1,0,0,0,0,1|1,0,1]=4 293 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,0,0,0,0,2|2,0,0]=4 294 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,0,0,0,0,2|2,0,0]=4 295 B10R0.82 CC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100009814033 [0,0,0,0,0,2|2,0,0]=4 296 B10R0.82 CC(=O)C(C)OCC(O)CO 34a_100000212229_100011219619 [0,0,0,0,0,2|2,0,0]=4 297 B10R0.82 CC(=O)C(C)OC[C@@H](O)CO 34a_100000212229_100009815848 [0,0,0,0,0,2|2,0,0]=4 298 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100009814033_100011219619 [0,0,0,0,0,2|2,0,0]=4 299 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100011219619_100009814033 [0,0,0,0,0,2|2,0,0]=4 300 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009814033_100009815848 [0,0,0,0,0,2|2,0,0]=4 301 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100009814033 [0,0,0,0,0,2|2,0,0]=4 302 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,0,0,0,0,2|2,0,0]=4 303 B10R0.82 CC(NC[C@H](O)CO)C(=O)N 2230a_100020644852_100000702099 [0,0,0,0,0,2|2,0,0]=4 304 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100000702099_100011219619 [0,0,0,0,0,2|2,0,0]=4 305 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100011219619_100000702099 [0,0,0,0,0,2|2,0,0]=4 306 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100000702099_100009815848 [0,0,0,0,0,2|2,0,0]=4 307 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100009815848_100000702099 [0,0,0,0,0,2|2,0,0]=4 308 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,0,0,0,0,2|2,0,0]=4 309 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,0,0,0,0,2|2,0,0]=4 310 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 2230a_100000119354_100011219619 [0,0,0,0,0,2|2,0,0]=4 311 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 34a_100000119354_100011219619 [0,0,0,0,0,2|2,0,0]=4 312 B10R0.82 C[C@@H](NC[C@@H](O)CO)C(=O)N 2230a_100000119354_100009815848 [0,0,0,0,0,2|2,0,0]=4 313 B10R0.82 C[C@@H](NC[C@@H](O)CO)C(=O)N 34a_100000119354_100009815848 [0,0,0,0,0,2|2,0,0]=4 314 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 34a_100000731257_100011219619 [0,0,0,0,0,2|2,0,0]=4 315 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 7a_100000731257_100011219619 [0,0,0,0,0,2|2,0,0]=4 316 B10R0.82 C[C@@H](OC[C@@H](O)CO)C(=O)N 34a_100000731257_100009815848 [0,0,0,0,0,2|2,0,0]=4 317 B10R0.82 C[C@@H](OC[C@@H](O)CO)C(=O)N 7a_100000731257_100009815848 [0,0,0,0,0,2|2,0,0]=4 318 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,0,0,0,0,2|2,0,0]=4 319 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,0,0,0,0,2|1,0,0]=3 320 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,0,0,0,0,2|2,0,0]=4 321 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,0,0,0,0,2|1,0,0]=3 322 B10R0.82 C[C@H](OCC(O)CO)C(=O)[O-] 7a_217856618621_100011219619 [0,0,0,0,0,2|1,0,1]=4 323 B10R0.82 C[C@H](OC[C@@H](O)CO)C(=O)[O-] 7a_217856618621_100009815848 [0,0,0,0,0,2|1,0,1]=4 324 B10R0.82 NC(=O)C(F)NC[C@H](O)CO 2230a_100020644852_100009813875 [0,0,0,0,0,2|2,0,0]=4 325 B10R0.82 NC(=O)C(F)SCC(O)CO 62a_100009813875_100011219619 [0,0,0,0,0,2|2,0,0]=4 326 B10R0.82 NC(=O)C(F)SCC(O)CO 62a_100011219619_100009813875 [0,0,0,0,0,2|2,0,0]=4 327 B10R0.82 NC(=O)C(F)SC[C@@H](O)CO 62a_100009813875_100009815848 [0,0,0,0,0,2|2,0,0]=4 328 B10R0.82 NC(=O)C(F)SC[C@@H](O)CO 62a_100009815848_100009813875 [0,0,0,0,0,2|2,0,0]=4 329 B10R0.82 O=C([O-])C(F)SCC(O)CO 62a_100011219619_100020610796 [0,0,0,0,0,2|1,0,1]=4 330 B10R0.82 O=C([O-])C(F)SCC(O)CO 62a_100020610796_100011219619 [0,0,0,0,0,2|1,0,1]=4 331 B10R0.82 O=C([O-])C(F)SC[C@@H](O)CO 62a_100009815848_100020610796 [0,0,0,0,0,2|1,0,1]=4 332 B10R0.82 O=C([O-])C(F)SC[C@@H](O)CO 62a_100020610796_100009815848 [0,0,0,0,0,2|1,0,1]=4