0 B10R0.92 C=C(C)C(=O)CCS(=O)(=O)C 1458a_100000185857_100000731031 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.92 CC(=O)C(C)OCS(=O)(=O)[O-] 34a_100000212229_100009817235 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.92 CC(=O)C(C)SCS(=O)(=O)N 62a_100000741382_100009814033 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.92 CC(=O)C(C)SCS(=O)(=O)N 62a_100009814033_100000741382 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.92 CC(=O)C(C)SCS(=O)(=O)[O-] 62a_100009814033_100009817235 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.92 CC(=O)C(C)SCS(=O)(=O)[O-] 62a_100009817235_100009814033 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 11a_100000750128_100015343762 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 1626a_100000750128_100015343762 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 240690a_100000750128_100015343762 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 527a_100000750128_100103153847 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.92 CC(SCS(=O)(=O)N)C(=O)N 62a_100000702099_100000741382 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.92 CC(SCS(=O)(=O)N)C(=O)N 62a_100000741382_100000702099 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.92 CC(SCS(=O)(=O)[O-])C(=O)N 62a_100000702099_100009817235 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.92 CC(SCS(=O)(=O)[O-])C(=O)N 62a_100009817235_100000702099 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.92 CS(=O)(=O)CCC(=O)C(O)O 1458a_100000233687_100000731031 [0,0,0,0,0,0|1,0,3]=4 15 B10R0.92 C[C@@H](NCS(=O)(=O)[O-])C(=O)N 34a_100000119354_100009817235 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.92 C[C@@H](O)C(=O)CCS(=O)(=O)C 1458a_100000717761_100000731031 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.92 C[C@@H](OCS(=O)(=O)[O-])C(=O)N 34a_100000731257_100009817235 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.92 C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009817235 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.92 C[C@H](O)C(=O)CCS(=O)(=O)C 1458a_217856618621_100000731031 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.92 NC(=O)C(F)SCS(=O)(=O)N 62a_100000741382_100009813875 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.92 NC(=O)C(F)SCS(=O)(=O)N 62a_100009813875_100000741382 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.92 NC(=O)C(F)SCS(=O)(=O)[O-] 62a_100009813875_100009817235 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.92 NC(=O)C(F)SCS(=O)(=O)[O-] 62a_100009817235_100009813875 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.92 NS(=O)(=O)CSC(F)C(=O)[O-] 62a_100000741382_100020610796 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.92 NS(=O)(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000741382 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.92 O=C([O-])C(F)SCS(=O)(=O)[O-] 62a_100009817235_100020610796 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.92 O=C([O-])C(F)SCS(=O)(=O)[O-] 62a_100020610796_100009817235 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.21 C=CC(=O)CCS(=O)(=O)C 1458a_100000185746_100000731031 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.21 CC(CO)CNS(=O)(=O)C 40a_100000744482_100000738038 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.21 CS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000731031 [1,0,0,0,0,0|1,0,2]=4 32 B9R0.21 CS(=O)(=O)NC[C@@H](F)CO 40a_100015665980_100000738038 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [1,0,0,0,0,0|1,0,0]=2 34 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [1,0,0,0,0,0|2,0,0]=3 35 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [1,0,0,0,0,0|2,0,0]=3 36 B9R0.56 CC(=O)CCCS(=O)(=O)[O-] 1458a_100000070787_100009813499 [1,0,0,0,0,0|2,0,0]=3 37 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000070787_100000754112 [1,0,0,0,0,0|2,0,0]=3 38 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000165793_200000210301 [1,0,0,0,0,0|2,0,0]=3 39 B9R0.56 CC(=O)CCOS(=O)(=O)C 1458a_100000070787_200000036756 [1,0,0,0,0,0|2,0,0]=3 40 B9R0.56 CC(=O)COCS(=O)(=O)[O-] 34a_100000211253_100009817235 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.56 CC(=O)NCCS(=O)(=O)C 11a_100000740961_100015343762 [1,0,0,0,0,0|2,0,0]=3 42 B9R0.56 CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100015343762 [1,0,0,0,0,0|2,0,0]=3 43 B9R0.56 CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100015343762 [1,0,0,0,0,0|2,0,0]=3 44 B9R0.56 CC(=O)NCCS(=O)(=O)C 527a_100000740961_100103153847 [1,0,0,0,0,0|2,0,0]=3 45 B9R0.56 CC(=O)NCCS(=O)(=O)N 240690a_100000738205_100015343762 [1,0,0,0,0,0|3,0,0]=4 46 B9R0.56 CC(=O)NCCS(=O)(=O)N 527a_100000738205_100103153847 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.56 CC(O)CCNS(=O)(=O)C 40a_200000755665_100000738038 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.56 CN(C)CCCS(=O)(=O)C 2230a_100102631434_100000754308 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.56 CN(C)CCCS(=O)(=O)C 269982a_100102631434_100000754308 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.56 CS(=O)(=O)NCCC(=O)N 40a_100000740010_100000738038 [1,0,0,0,0,0|2,0,0]=3 51 B9R0.56 CS(=O)(=O)NCCC(=O)[13CH3] 1458a_100000165793_200025704644 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.56 NC(=O)CSCS(=O)(=O)N 62a_100000741382_100000747473 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.56 NC(=O)CSCS(=O)(=O)N 62a_100000747473_100000741382 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.56 NC(=O)CSCS(=O)(=O)[O-] 62a_100000747473_100009817235 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.56 NC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_100000747473 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [1,0,0,0,0,0|2,0,0]=3 57 B9R0.56 NS(=O)(=O)CSCC(=O)[O-] 62a_100000741382_100020667443 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.56 NS(=O)(=O)CSCC(=O)[O-] 62a_100020667443_100000741382 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.56 O=C(O)CNCS(=O)(=O)[O-] 269956a_100016091260_100009817235 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.56 O=C([O-])CSCS(=O)(=O)[O-] 62a_100009817235_100020667443 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.56 O=C([O-])CSCS(=O)(=O)[O-] 62a_100020667443_100009817235 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [1,0,0,0,0,0|2,0,0]=3 63 B11R0.290 C=CC(=O)N(C)CCS(=O)(=O)C 1626a_100000750128_100000185746 [0,1,0,0,0,0|3,0,0]=4 64 B11R0.290 C=CC(=O)N(C)CCS(=O)(=O)C 240690a_100000750128_200121576911 [0,1,0,0,0,0|3,0,0]=4 65 B11R0.290 CCC(=O)N(C)CCS(=O)(=O)C 11a_100000750128_100000210414 [0,1,0,0,0,0|3,0,0]=4 66 B11R0.290 CCC(=O)N(C)CCS(=O)(=O)C 1626a_100000750128_100000210414 [0,1,0,0,0,0|3,0,0]=4 67 B11R0.290 CCC(=O)N(C)CCS(=O)(=O)C 240690a_100000750128_100000210414 [0,1,0,0,0,0|3,0,0]=4 68 B11R0.290 CCC(=O)N(C)CCS(=O)(=O)C 527a_100000750128_100000210414 [0,1,0,0,0,0|3,0,0]=4 69 B11R0.290 CN(CCS(=O)(=O)C)C(=O)CO 240690a_100000750128_100000210174 [0,1,0,0,0,0|2,0,0]=3 70 B11R0.290 CN(CCS(=O)(=O)C)C(=O)CO 527a_100000750128_100000210174 [0,1,0,0,0,0|2,0,0]=3 71 B11R0.290 CNC(=O)C(=O)CCS(=O)(=O)C 1458a_100011218921_100000731031 [0,1,0,0,0,0|2,0,1]=4 72 B11R0.290 CNC(=O)C(C)CNS(=O)(=O)C 40a_100015187722_100000738038 [0,1,0,0,0,0|3,0,0]=4 73 B11R0.290 CNC(=O)N(C)CCS(=O)(=O)C 2708a_100102657272_100000750128 [0,1,0,0,0,0|3,0,0]=4 74 B11R0.290 CNC(=O)N(C)CCS(=O)(=O)C 273464a_100102657272_100000750128 [0,1,0,0,0,0|3,0,0]=4 75 B11R0.290 COC(=O)C(C)OCS(=O)(=O)[O-] 34a_100011215400_100009817235 [0,1,0,0,0,0|3,0,0]=4 76 B11R0.290 COC(=O)C(C)SCS(=O)(=O)N 62a_100000211248_100000741382 [0,1,0,0,0,0|3,0,0]=4 77 B11R0.290 COC(=O)C(C)SCS(=O)(=O)N 62a_100000741382_100000211248 [0,1,0,0,0,0|3,0,0]=4 78 B11R0.290 COC(=O)C(C)SCS(=O)(=O)[O-] 62a_100000211248_100009817235 [0,1,0,0,0,0|3,0,0]=4 79 B11R0.290 COC(=O)C(C)SCS(=O)(=O)[O-] 62a_100009817235_100000211248 [0,1,0,0,0,0|3,0,0]=4 80 B11R0.302 CCS(=O)(=O)CCN(C)C(=O)C 11a_100000694288_100015343762 [0,1,0,0,0,0|3,0,0]=4 81 B11R0.302 CCS(=O)(=O)CCN(C)C(=O)C 1626a_100000694288_100015343762 [0,1,0,0,0,0|3,0,0]=4 82 B11R0.302 CCS(=O)(=O)CCN(C)C(=O)C 240690a_100000694288_100015343762 [0,1,0,0,0,0|3,0,0]=4 83 B11R0.302 CCS(=O)(=O)CCN(C)C(=O)C 527a_100000694288_100103153847 [0,1,0,0,0,0|3,0,0]=4 84 B11R0.308 CC(=O)C(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000179758 [0,1,0,0,0,0|2,0,1]=4 85 B11R0.308 CC(C(=O)N)C(=O)CS(=O)(=O)C 1458a_100000744497_100000702099 [0,1,0,0,0,0|2,0,1]=4 86 B11R0.308 CC(C(=O)O)N(C)CS(=O)(=O)N 269956a_100000749554_100000741382 [0,1,0,0,0,0|3,0,0]=4 87 B11R0.308 CC(C(=O)O)N(C)CS(=O)(=O)[O-] 269956a_100000749554_100009817235 [0,1,0,0,0,0|3,0,0]=4 88 B11R0.308 CS(=O)(=O)CC(=O)C(F)C(=O)N 1458a_100000744497_100009813875 [0,1,0,0,0,0|2,0,1]=4 89 B11R0.308 CS(=O)(=O)CC(=O)C(F)C(=O)[O-] 1458a_100000744497_100020610796 [0,1,0,0,0,0|1,0,2]=4 90 B11R0.313 C=C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100016992060_100000741382 [0,1,0,0,0,0|3,0,0]=4 91 B11R0.313 C=C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100016992060_100009817235 [0,1,0,0,0,0|3,0,0]=4 92 B11R0.313 CC(C)(C)CC[C@H](N[13CH3])C(=O)O 269956a_200014094532_200025704644 [0,1,0,0,0,0|3,0,0]=4 93 B11R0.313 CC[C@@H](NCS(=O)(=O)N)C(=O)O 269956a_100000747097_100000741382 [0,1,0,0,0,0|3,0,0]=4 94 B11R0.313 CC[C@@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000747097_100009817235 [0,1,0,0,0,0|3,0,0]=4 95 B11R0.313 CN[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_200000210301 [0,1,0,0,0,0|3,0,0]=4 96 B11R0.313 NS(=O)(=O)CNC(CO)C(=O)O 269956a_100000187304_100000741382 [0,1,0,0,0,0|3,0,0]=4 97 B11R0.313 O=C(O)C(CO)NCS(=O)(=O)[O-] 269956a_100000187304_100009817235 [0,1,0,0,0,0|3,0,0]=4 98 B11R0.429 CC(C)(CNS(=O)(=O)C)C(=O)N 40a_100000740840_100000738038 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.707 CC(=O)C1CN(C1)S(=O)(=O)C 1458a_100012017667_200000210301 [0,0,0,1,0,0|3,0,0]=4 100 B11R1.707 CC(=O)N1CC(C1)S(=O)(=O)C 11a_100000695683_100015343762 [0,0,0,1,0,0|3,0,0]=4 101 B11R1.707 CC(=O)N1CC(C1)S(=O)(=O)C 1626a_100000695683_100015343762 [0,0,0,1,0,0|3,0,0]=4 102 B11R1.707 CC(=O)N1CC(C1)S(=O)(=O)C 240690a_100000695683_100015343762 [0,0,0,1,0,0|3,0,0]=4 103 B11R1.707 CC(=O)N1CC(C1)S(=O)(=O)C 527a_100000695683_100103153847 [0,0,0,1,0,0|3,0,0]=4 104 B11R1.707 CS(=O)(=O)N1CC(C1)C(=O)N 40a_100025753142_100000738038 [0,0,0,1,0,0|3,0,0]=4 105 B11R1.707 CS(=O)(=O)N1CC(C1)C(=O)[13CH3] 1458a_100012017667_200025704644 [0,0,0,1,0,0|3,0,0]=4 106 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200000210301 [0,0,0,1,0,0|2,0,0]=3 107 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100015343762 [0,0,0,1,0,0|3,0,0]=4 108 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100015343762 [0,0,0,1,0,0|3,0,0]=4 109 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100015343762 [0,0,0,1,0,0|3,0,0]=4 110 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100103153847 [0,0,0,1,0,0|3,0,0]=4 111 B11R1.727 [13CH3]C(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200025704644 [0,0,0,1,0,0|2,0,0]=3 112 B9R0.57 CC(=O)[C@H](C)OS(=O)(=O)C 1458a_200015292407_200000210301 [0,0,0,0,1,0|3,0,0]=4 113 B9R0.57 C[C@@H](NS(=O)(=O)C)C(=O)N 40a_100000119354_100000738038 [0,0,0,0,1,0|3,0,0]=4 114 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)[13CH3] 1458a_200015292407_200025704644 [0,0,0,0,1,0|3,0,0]=4 115 B11R0.318 C=C(C)C(C)NCCS(=O)(=O)C 269862a_100000740961_100011216138 [0,0,0,0,0,1|3,0,0]=4 116 B11R0.318 CC(=O)C(C)COCS(=O)(=O)[O-] 34a_100000032740_100009817235 [0,0,0,0,0,1|3,0,0]=4 117 B11R0.318 CC(=O)C(C)NCCS(=O)(=O)C 2230a_100000740961_100009814033 [0,0,0,0,0,1|2,0,0]=3 118 B11R0.318 CC(=O)C(C)NCCS(=O)(=O)N 2230a_100000738205_100009814033 [0,0,0,0,0,1|3,0,0]=4 119 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)C 34a_100000212229_100000731031 [0,0,0,0,0,1|2,0,0]=3 120 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)C 7a_100000211924_100000179758 [0,0,0,0,0,1|2,0,0]=3 121 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)[O-] 34a_100000212229_100000762736 [0,0,0,0,0,1|3,0,0]=4 122 B11R0.318 CC(=O)C(C)SCCS(=O)(=O)C 62a_100000731031_100009814033 [0,0,0,0,0,1|2,0,0]=3 123 B11R0.318 CC(=O)C(C)SCCS(=O)(=O)C 62a_100009814033_100000230027 [0,0,0,0,0,1|2,0,0]=3 124 B11R0.318 CC(=O)C(C)SCCS(=O)(=O)[O-] 62a_100000762736_100009814033 [0,0,0,0,0,1|3,0,0]=4 125 B11R0.318 CC(=O)C(C)SCCS(=O)(=O)[O-] 62a_100009814033_100000762736 [0,0,0,0,0,1|3,0,0]=4 126 B11R0.318 CC(CNCS(=O)(=O)N)C(=O)O 269956a_100000749485_100000741382 [0,0,0,0,0,1|2,0,0]=3 127 B11R0.318 CC(CNCS(=O)(=O)[O-])C(=O)O 269956a_100000749485_100009817235 [0,0,0,0,0,1|2,0,0]=3 128 B11R0.318 CC(NCCS(=O)(=O)C)C(=O)N 2230a_100000740961_100000702099 [0,0,0,0,0,1|2,0,0]=3 129 B11R0.318 CC(NCCS(=O)(=O)C)C(=O)N 34a_100000740961_100000702099 [0,0,0,0,0,1|2,0,0]=3 130 B11R0.318 CC(NCCS(=O)(=O)N)C(=O)N 2230a_100000738205_100000702099 [0,0,0,0,0,1|3,0,0]=4 131 B11R0.318 CC(NCCS(=O)(=O)N)C(=O)N 34a_100000738205_100000702099 [0,0,0,0,0,1|3,0,0]=4 132 B11R0.318 CC(OCCS(=O)(=O)C)C(=O)N 34a_100000211924_100000702099 [0,0,0,0,0,1|2,0,0]=3 133 B11R0.318 CC(OCCS(=O)(=O)C)C(=O)N 7a_100000211924_100000702099 [0,0,0,0,0,1|2,0,0]=3 134 B11R0.318 CC(OCCS(=O)(=O)N)C(=O)N 34a_100012334274_100000702099 [0,0,0,0,0,1|3,0,0]=4 135 B11R0.318 CC(SCCS(=O)(=O)C)C(=O)N 62a_100000702099_100000230027 [0,0,0,0,0,1|2,0,0]=3 136 B11R0.318 CC(SCCS(=O)(=O)C)C(=O)N 62a_100000731031_100000702099 [0,0,0,0,0,1|2,0,0]=3 137 B11R0.318 CC(SCCS(=O)(=O)[O-])C(=O)N 62a_100000702099_100000762736 [0,0,0,0,0,1|3,0,0]=4 138 B11R0.318 CC(SCCS(=O)(=O)[O-])C(=O)N 62a_100000762736_100000702099 [0,0,0,0,0,1|3,0,0]=4 139 B11R0.318 CS(=O)(=O)CCNC(=O)C(=O)N 240690a_100000740961_100011215815 [0,0,0,0,0,1|2,0,1]=4 140 B11R0.318 CS(=O)(=O)CCNC(F)C(=O)N 2230a_100000740961_100009813875 [0,0,0,0,0,1|2,0,0]=3 141 B11R0.318 CS(=O)(=O)CCNC(F)C(=O)N 34a_100000740961_100009813875 [0,0,0,0,0,1|2,0,0]=3 142 B11R0.318 CS(=O)(=O)CCNC(F)C(=O)[O-] 34a_100000740961_100020610796 [0,0,0,0,0,1|1,0,1]=3 143 B11R0.318 CS(=O)(=O)CCOC(F)C(=O)N 34a_100000211924_100009813875 [0,0,0,0,0,1|2,0,0]=3 144 B11R0.318 CS(=O)(=O)CCOC(F)C(=O)N 7a_100000211924_100009813875 [0,0,0,0,0,1|2,0,0]=3 145 B11R0.318 CS(=O)(=O)CCOC(F)C(=O)[O-] 34a_100000211924_100020610796 [0,0,0,0,0,1|1,0,1]=3 146 B11R0.318 CS(=O)(=O)CCSC(F)C(=O)N 62a_100000731031_100009813875 [0,0,0,0,0,1|2,0,0]=3 147 B11R0.318 CS(=O)(=O)CCSC(F)C(=O)N 62a_100009813875_100000230027 [0,0,0,0,0,1|2,0,0]=3 148 B11R0.318 CS(=O)(=O)CCSC(F)C(=O)[O-] 62a_100000731031_100020610796 [0,0,0,0,0,1|1,0,1]=3 149 B11R0.318 CS(=O)(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000230027 [0,0,0,0,0,1|1,0,1]=3 150 B11R0.318 C[C@@H](NCCS(=O)(=O)C)C(=O)N 2230a_100000119354_100000731031 [0,0,0,0,0,1|2,0,0]=3 151 B11R0.318 C[C@@H](NCCS(=O)(=O)C)C(=O)N 34a_100000119354_100000731031 [0,0,0,0,0,1|2,0,0]=3 152 B11R0.318 C[C@@H](NCCS(=O)(=O)[O-])C(=O)N 2230a_100000119354_100000737633 [0,0,0,0,0,1|3,0,0]=4 153 B11R0.318 C[C@@H](NCCS(=O)(=O)[O-])C(=O)N 34a_100000119354_100000762736 [0,0,0,0,0,1|3,0,0]=4 154 B11R0.318 C[C@@H](OCCS(=O)(=O)C)C(=O)N 34a_100000731257_100000731031 [0,0,0,0,0,1|2,0,0]=3 155 B11R0.318 C[C@@H](OCCS(=O)(=O)C)C(=O)N 7a_100000731257_100000230027 [0,0,0,0,0,1|2,0,0]=3 156 B11R0.318 C[C@@H](OCCS(=O)(=O)[O-])C(=O)N 34a_100000731257_100000762736 [0,0,0,0,0,1|3,0,0]=4 157 B11R0.318 C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000731031 [0,0,0,0,0,1|1,0,0]=2 158 B11R0.318 C[C@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100000762736 [0,0,0,0,0,1|2,0,0]=3 159 B11R0.318 C[C@H](OCCS(=O)(=O)C)C(=O)[O-] 7a_217856618621_100000230027 [0,0,0,0,0,1|1,0,1]=3 160 B11R0.318 NC(=O)C(F)NCCS(=O)(=O)N 2230a_100000738205_100009813875 [0,0,0,0,0,1|3,0,0]=4 161 B11R0.318 NC(=O)C(F)NCCS(=O)(=O)N 34a_100000738205_100009813875 [0,0,0,0,0,1|3,0,0]=4 162 B11R0.318 NC(=O)C(F)OCCS(=O)(=O)N 34a_100012334274_100009813875 [0,0,0,0,0,1|3,0,0]=4 163 B11R0.318 NC(=O)C(F)SCCS(=O)(=O)[O-] 62a_100000762736_100009813875 [0,0,0,0,0,1|3,0,0]=4 164 B11R0.318 NC(=O)C(F)SCCS(=O)(=O)[O-] 62a_100009813875_100000762736 [0,0,0,0,0,1|3,0,0]=4 165 B11R0.318 NC(=O)[C@@H](N)COCS(=O)(=O)[O-] 34a_100000729942_100009817235 [0,0,0,0,0,1|2,0,0]=3 166 B11R0.318 NS(=O)(=O)CCNC(F)C(=O)[O-] 34a_100000738205_100020610796 [0,0,0,0,0,1|2,0,1]=4 167 B11R0.318 NS(=O)(=O)CCOC(F)C(=O)[O-] 34a_100012334274_100020610796 [0,0,0,0,0,1|2,0,1]=4 168 B11R0.318 NS(=O)(=O)CNCC(F)C(=O)O 269956a_100000084737_100000741382 [0,0,0,0,0,1|2,0,0]=3 169 B11R0.318 O=C(O)C(F)CNCS(=O)(=O)[O-] 269956a_100000084737_100009817235 [0,0,0,0,0,1|2,0,0]=3 170 B11R0.318 O=C([O-])C(F)SCCS(=O)(=O)[O-] 62a_100000762736_100020610796 [0,0,0,0,0,1|2,0,1]=4 171 B11R0.318 O=C([O-])C(F)SCCS(=O)(=O)[O-] 62a_100020610796_100000762736 [0,0,0,0,0,1|2,0,1]=4 172 B11R0.337 CC(=O)CC(=O)CCS(=O)(=O)C 1458a_100000070787_100103131435 [0,0,0,0,0,1|2,0,1]=4 173 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)N 2230a_100000739694_100000731031 [0,0,0,0,0,1|3,0,0]=4 174 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)N 2230a_100000750128_100000747473 [0,0,0,0,0,1|3,0,0]=4 175 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)N 269982a_100000750128_100000187820 [0,0,0,0,0,1|3,0,0]=4 176 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)N 34a_100000750128_100000187820 [0,0,0,0,0,1|3,0,0]=4 177 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)O 269956a_100000746989_100000731031 [0,0,0,0,0,1|2,0,0]=3 178 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)[O-] 269982a_100000750128_100020667443 [0,0,0,0,0,1|2,0,1]=4 179 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)[O-] 34a_100000750128_100020667443 [0,0,0,0,0,1|2,0,1]=4 180 B11R0.337 CN(CCS(=O)(=O)[O-])CC(=O)O 269956a_100000746989_100000762736 [0,0,0,0,0,1|3,0,0]=4 181 B11R0.337 CS(=O)(=O)CCC(=O)CC(=O)N 1458a_100000737124_100000187820 [0,0,0,0,0,1|2,0,1]=4 182 B11R0.337 CS(=O)(=O)CCC(=O)CC(=O)N 1458a_100134613110_100000731031 [0,0,0,0,0,1|2,0,1]=4 183 B11R0.337 CS(=O)(=O)CCC(=O)CC(=O)[O-] 1458a_100000737124_100020667443 [0,0,0,0,0,1|1,0,2]=4 184 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [2,0,0,0,0,0|2,0,0]=4 185 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [2,0,0,0,0,0|2,0,0]=4 186 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [2,0,0,0,0,0|2,0,0]=4 187 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [2,0,0,0,0,0|2,0,0]=4 188 B8R0.21 C=CCCNS(=O)(=O)C 40a_100015191253_100000738038 [2,0,0,0,0,0|2,0,0]=4 189 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [2,0,0,0,0,0|2,0,0]=4 190 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [2,0,0,0,0,0|2,0,0]=4 191 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [2,0,0,0,0,0|2,0,0]=4 192 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [2,0,0,0,0,0|2,0,0]=4 193 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [2,0,0,0,0,0|2,0,0]=4 194 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [2,0,0,0,0,0|2,0,0]=4 195 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [2,0,0,0,0,0|2,0,0]=4 196 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [2,0,0,0,0,0|2,0,0]=4 197 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [2,0,0,0,0,0|2,0,0]=4 198 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [2,0,0,0,0,0|2,0,0]=4 199 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [2,0,0,0,0,0|2,0,0]=4 200 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [2,0,0,0,0,0|2,0,0]=4 201 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [2,0,0,0,0,0|2,0,0]=4 202 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [2,0,0,0,0,0|2,0,0]=4 203 B8R0.21 CS(=O)(=O)NCCCO 40a_100000182051_100000738038 [2,0,0,0,0,0|1,0,1]=4 204 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [2,0,0,0,0,0|2,0,0]=4 205 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [2,0,0,0,0,0|2,0,0]=4 206 B8R0.21 NS(=O)(=O)CSCC=O 62a_100000741382_200015260668 [2,0,0,0,0,0|2,0,0]=4 207 B8R0.21 NS(=O)(=O)CSCC=O 62a_200015260668_100000741382 [2,0,0,0,0,0|2,0,0]=4 208 B8R0.21 O=CCSCS(=O)(=O)[O-] 62a_100009817235_200015260668 [2,0,0,0,0,0|2,0,0]=4 209 B8R0.21 O=CCSCS(=O)(=O)[O-] 62a_200015260668_100009817235 [2,0,0,0,0,0|2,0,0]=4 210 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [2,0,0,0,0,0|1,0,1]=4 211 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [2,0,0,0,0,0|1,0,1]=4 212 B8R0.29 CC(O)CNS(=O)(=O)C 40a_100000210904_100000738038 [2,0,0,0,0,0|2,0,0]=4 213 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [2,0,0,0,0,0|1,0,1]=4 214 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [1,1,0,0,0,0|2,0,0]=4 215 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [1,1,0,0,0,0|1,0,1]=4 216 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [1,1,0,0,0,0|0,0,1]=3 217 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [1,1,0,0,0,0|0,0,1]=3 218 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [1,1,0,0,0,0|1,0,1]=4 219 B10R0.109 CN(CC=O)CCS(=O)(=O)C 2230a_100000750128_200015260668 [1,1,0,0,0,0|2,0,0]=4 220 B10R0.109 CN(CC=O)CCS(=O)(=O)C 269982a_100000750128_200015260668 [1,1,0,0,0,0|2,0,0]=4 221 B10R0.109 CN(CC=O)CCS(=O)(=O)C 34a_100000750128_200009817547 [1,1,0,0,0,0|2,0,0]=4 222 B10R0.31 CC(=O)CC(O)CS(=O)(=O)[O-] 1458a_100000070787_100016993520 [1,1,0,0,0,0|2,0,0]=4 223 B10R0.31 CN(CC(=O)O)CS(=O)(=O)N 269956a_100000746989_100000741382 [1,1,0,0,0,0|2,0,0]=4 224 B10R0.31 CN(CC(=O)O)CS(=O)(=O)[O-] 269956a_100000746989_100009817235 [1,1,0,0,0,0|2,0,0]=4 225 B10R0.31 CS(=O)(=O)CC(=O)CC(=O)N 1458a_100000744497_100000187820 [1,1,0,0,0,0|1,0,1]=4 226 B10R0.31 CS(=O)(=O)CC(=O)CC(=O)[O-] 1458a_100000744497_100020667443 [1,1,0,0,0,0|0,0,2]=4 227 B10R0.60 C#CC(=O)CCCS(=O)(=O)C 1458a_100000211873_100000754308 [1,1,0,0,0,0|1,0,0]=3 228 B10R0.60 C#CC(=O)CCCS(=O)(=O)N 1458a_100000211873_100000750626 [1,1,0,0,0,0|2,0,0]=4 229 B10R0.60 C#CC(=O)CCCS(=O)(=O)[O-] 1458a_100000211873_100009813499 [1,1,0,0,0,0|2,0,0]=4 230 B10R0.60 C#CC(=O)CCNS(=O)(=O)C 1458a_100000211873_100000754112 [1,1,0,0,0,0|2,0,0]=4 231 B10R0.60 C#CC(=O)CCOS(=O)(=O)C 1458a_100000211873_200000036756 [1,1,0,0,0,0|2,0,0]=4 232 B10R0.60 C=CC(=O)CCCS(=O)(=O)C 1458a_100000185746_100000754308 [1,1,0,0,0,0|1,0,0]=3 233 B10R0.60 C=CC(=O)CCCS(=O)(=O)N 1458a_100000185746_100000750626 [1,1,0,0,0,0|2,0,0]=4 234 B10R0.60 C=CC(=O)CCCS(=O)(=O)[O-] 1458a_100000185746_100009813499 [1,1,0,0,0,0|2,0,0]=4 235 B10R0.60 C=CC(=O)CCNS(=O)(=O)C 1458a_100000185746_100000754112 [1,1,0,0,0,0|2,0,0]=4 236 B10R0.60 C=CC(=O)CCOS(=O)(=O)C 1458a_100000185746_200000036756 [1,1,0,0,0,0|2,0,0]=4 237 B10R0.60 C=CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000185746 [1,1,0,0,0,0|2,0,0]=4 238 B10R0.60 C=CC(=O)NCCS(=O)(=O)C 240690a_100000740961_200121576911 [1,1,0,0,0,0|2,0,0]=4 239 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [1,1,0,0,0,0|1,0,0]=3 240 B10R0.60 CCC(=O)CCCS(=O)(=O)N 1458a_100000210414_100000750626 [1,1,0,0,0,0|2,0,0]=4 241 B10R0.60 CCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210202 [1,1,0,0,0,0|2,0,0]=4 242 B10R0.60 CCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210414_100009813499 [1,1,0,0,0,0|2,0,0]=4 243 B10R0.60 CCC(=O)CCNS(=O)(=O)C 1458a_100000165793_100000210202 [1,1,0,0,0,0|2,0,0]=4 244 B10R0.60 CCC(=O)CCNS(=O)(=O)C 1458a_100000210414_100000754112 [1,1,0,0,0,0|2,0,0]=4 245 B10R0.60 CCC(=O)CCOS(=O)(=O)C 1458a_100000210414_200000036756 [1,1,0,0,0,0|2,0,0]=4 246 B10R0.60 CCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000210414 [1,1,0,0,0,0|2,0,0]=4 247 B10R0.60 CCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210414 [1,1,0,0,0,0|2,0,0]=4 248 B10R0.60 CCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210414 [1,1,0,0,0,0|2,0,0]=4 249 B10R0.60 CCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000210414 [1,1,0,0,0,0|2,0,0]=4 250 B10R0.60 CNC(=O)CCCS(=O)(=O)N 240690a_100102657272_100000739357 [1,1,0,0,0,0|2,0,0]=4 251 B10R0.60 CNC(=O)CCNS(=O)(=O)C 1626a_100102657272_100000165793 [1,1,0,0,0,0|2,0,0]=4 252 B10R0.60 CNC(=O)CCNS(=O)(=O)C 240690a_100102657272_100000165793 [1,1,0,0,0,0|2,0,0]=4 253 B10R0.60 CNC(=O)CCNS(=O)(=O)C 40a_100000738227_100000738038 [1,1,0,0,0,0|2,0,0]=4 254 B10R0.60 CNC(=O)CCNS(=O)(=O)C 527a_100102657272_100000165793 [1,1,0,0,0,0|2,0,0]=4 255 B10R0.60 CNC(=O)NCCS(=O)(=O)C 2708a_100000740961_106832991635 [1,1,0,0,0,0|2,0,0]=4 256 B10R0.60 CNC(=O)NCCS(=O)(=O)C 2708a_100102657272_100000740961 [1,1,0,0,0,0|2,0,0]=4 257 B10R0.60 CNC(=O)NCCS(=O)(=O)C 273464a_100000740961_100102657272 [1,1,0,0,0,0|2,0,0]=4 258 B10R0.60 CNC(=O)NCCS(=O)(=O)C 273464a_100102657272_100000740961 [1,1,0,0,0,0|2,0,0]=4 259 B10R0.60 CNC(=O)NCCS(=O)(=O)C 512a_100000740961_100102657272 [1,1,0,0,0,0|2,0,0]=4 260 B10R0.60 CNC(=O)NCCS(=O)(=O)C 512a_106832991638_100000740961 [1,1,0,0,0,0|2,0,0]=4 261 B10R0.60 COC(=O)CSCS(=O)(=O)N 62a_100000741382_100000747449 [1,1,0,0,0,0|2,0,0]=4 262 B10R0.60 COC(=O)CSCS(=O)(=O)N 62a_100000747449_100000741382 [1,1,0,0,0,0|2,0,0]=4 263 B10R0.60 COC(=O)CSCS(=O)(=O)[O-] 62a_100000747449_100009817235 [1,1,0,0,0,0|2,0,0]=4 264 B10R0.60 COC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_100000747449 [1,1,0,0,0,0|2,0,0]=4 265 B10R0.60 CS(=O)(=O)CCCC(=O)CO 1458a_100000210174_100000754308 [1,1,0,0,0,0|0,0,0]=2 266 B10R0.60 CS(=O)(=O)CCNC(=O)CO 240690a_100000740961_100000210174 [1,1,0,0,0,0|1,0,0]=3 267 B10R0.60 CS(=O)(=O)CCNC(=O)CO 527a_100000740961_100000210174 [1,1,0,0,0,0|1,0,0]=3 268 B10R0.60 CS(=O)(=O)NCCC(=O)CF 1458a_100000165793_100015361967 [1,1,0,0,0,0|2,0,0]=4 269 B10R0.60 CS(=O)(=O)NCCC(=O)CO 1458a_100000210174_100000754112 [1,1,0,0,0,0|1,0,0]=3 270 B10R0.60 CS(=O)(=O)OCCC(=O)CO 1458a_100000210174_200000036756 [1,1,0,0,0,0|1,0,0]=3 271 B10R0.60 NS(=O)(=O)CCCC(=O)CF 1458a_100000739357_100015361967 [1,1,0,0,0,0|2,0,0]=4 272 B10R0.60 NS(=O)(=O)CCCC(=O)CO 1458a_100000210174_100000750626 [1,1,0,0,0,0|1,0,0]=3 273 B10R0.60 NS(=O)(=O)CCNC(=O)CO 240690a_100000738205_100000210174 [1,1,0,0,0,0|2,0,0]=4 274 B10R0.60 NS(=O)(=O)CCNC(=O)CO 527a_100000738205_100000210174 [1,1,0,0,0,0|2,0,0]=4 275 B10R0.60 O=C(CO)CCCS(=O)(=O)[O-] 1458a_100000210174_100009813499 [1,1,0,0,0,0|1,0,0]=3 276 B10R0.65 CCS(=O)(=O)CCNC(=O)C 11a_100000751051_100015343762 [1,1,0,0,0,0|2,0,0]=4 277 B10R0.65 CCS(=O)(=O)CCNC(=O)C 1626a_100000751051_100015343762 [1,1,0,0,0,0|2,0,0]=4 278 B10R0.65 CCS(=O)(=O)CCNC(=O)C 240690a_100000751051_100015343762 [1,1,0,0,0,0|2,0,0]=4 279 B10R0.65 CCS(=O)(=O)CCNC(=O)C 527a_100000751051_100103153847 [1,1,0,0,0,0|2,0,0]=4 280 B10R0.65 CCS(=O)(=O)NCCC(=O)N 270084a_100000740010_100000211323 [1,1,0,0,0,0|2,0,0]=4 281 B10R0.65 CCS(=O)(=O)NCCC(=O)N 274078a_100000740010_100000211323 [1,1,0,0,0,0|2,0,0]=4 282 B10R0.65 CCS(=O)(=O)NCCC(=O)N 40a_100000740010_100000053943 [1,1,0,0,0,0|2,0,0]=4 283 B10R0.65 CNS(=O)(=O)CCNC(=O)C 11a_100000710037_100015343762 [1,1,0,0,0,0|2,0,0]=4 284 B10R0.65 CNS(=O)(=O)CCNC(=O)C 240690a_100000710037_100015343762 [1,1,0,0,0,0|2,0,0]=4 285 B10R0.65 CNS(=O)(=O)CCNC(=O)C 527a_100000710037_100103153847 [1,1,0,0,0,0|2,0,0]=4 286 B10R0.65 CNS(=O)(=O)CCOC(=O)C 270084a_100102657272_200000119425 [1,1,0,0,0,0|2,0,0]=4 287 B10R0.65 CNS(=O)(=O)CCOC(=O)C 274078a_100102657272_200000119425 [1,1,0,0,0,0|2,0,0]=4 288 B10R0.65 NC(=O)CCNS(=O)(=O)CCl 270084a_100000740010_100000031410 [1,1,0,0,0,0|2,0,0]=4 289 B10R0.65 NC(=O)CCNS(=O)(=O)CCl 274078a_100000740010_100000031410 [1,1,0,0,0,0|2,0,0]=4 290 B12R0.90 CC(OCCS(=O)(=O)C)C(=O)NN 34a_100000725659_100000731031 [0,1,0,0,0,1|2,0,0]=4 291 B12R0.90 CCC(=O)C(C)NCCS(=O)(=O)C 2230a_100000740961_100000742827 [0,1,0,0,0,1|2,0,0]=4 292 B12R0.90 CCC(=O)C(C)OCCS(=O)(=O)C 7a_100000211924_100000742827 [0,1,0,0,0,1|2,0,0]=4 293 B12R0.90 CCC(=O)C(C)SCCS(=O)(=O)C 62a_100000731031_100000742827 [0,1,0,0,0,1|2,0,0]=4 294 B12R0.90 CCC(=O)C(C)SCCS(=O)(=O)C 62a_100000742827_100000230027 [0,1,0,0,0,1|2,0,0]=4 295 B12R0.90 CNC(=O)C(C)NCCS(=O)(=O)C 2230a_100000740961_100000731044 [0,1,0,0,0,1|2,0,0]=4 296 B12R0.90 CNC(=O)C(C)NCCS(=O)(=O)C 34a_100000740961_100000731044 [0,1,0,0,0,1|2,0,0]=4 297 B12R0.90 CNC(=O)C(C)OCCS(=O)(=O)C 34a_100000211924_100000731044 [0,1,0,0,0,1|2,0,0]=4 298 B12R0.90 CNC(=O)C(C)OCCS(=O)(=O)C 7a_100000211924_100000209862 [0,1,0,0,0,1|2,0,0]=4 299 B12R0.90 CNC(=O)C(C)SCCS(=O)(=O)C 62a_100000209862_100000230027 [0,1,0,0,0,1|2,0,0]=4 300 B12R0.90 CNC(=O)C(C)SCCS(=O)(=O)C 62a_100000731031_100000731044 [0,1,0,0,0,1|2,0,0]=4 301 B12R0.90 CNC(=O)C(F)NCCS(=O)(=O)C 2230a_100000740961_100009813575 [0,1,0,0,0,1|2,0,0]=4 302 B12R0.90 CNC(=O)C(F)NCCS(=O)(=O)C 34a_100000740961_100009813575 [0,1,0,0,0,1|2,0,0]=4 303 B12R0.90 CNC(=O)C(F)OCCS(=O)(=O)C 34a_100000211924_100009813575 [0,1,0,0,0,1|2,0,0]=4 304 B12R0.90 CNC(=O)C(F)OCCS(=O)(=O)C 7a_100000211924_100009813575 [0,1,0,0,0,1|2,0,0]=4 305 B12R0.90 CNC(=O)C(F)SCCS(=O)(=O)C 62a_100000731031_100009813575 [0,1,0,0,0,1|2,0,0]=4 306 B12R0.90 CNC(=O)C(F)SCCS(=O)(=O)C 62a_100009813575_100000230027 [0,1,0,0,0,1|2,0,0]=4 307 B12R0.90 CNC(=O)[C@@H](C)NCCS(=O)(=O)C 2230a_100000684985_100000731031 [0,1,0,0,0,1|2,0,0]=4 308 B12R0.90 CNC(=O)[C@@H](C)NCCS(=O)(=O)C 34a_100000684985_100000731031 [0,1,0,0,0,1|2,0,0]=4 309 B12R0.90 COC(=O)C(=O)NCCS(=O)(=O)C 11a_100000740961_100000024059 [0,1,0,0,0,1|1,0,1]=4 310 B12R0.90 COC(=O)C(=O)NCCS(=O)(=O)C 1626a_100000740961_100000024059 [0,1,0,0,0,1|1,0,1]=4 311 B12R0.90 COC(=O)C(=O)NCCS(=O)(=O)C 240690a_100000740961_100000024059 [0,1,0,0,0,1|1,0,1]=4 312 B12R0.90 COC(=O)C(=O)NCCS(=O)(=O)C 527a_100000740961_100000024059 [0,1,0,0,0,1|1,0,1]=4 313 B12R0.90 COC(=O)C(C)COCS(=O)(=O)[O-] 34a_100000749362_100009817235 [0,1,0,0,0,1|2,0,0]=4 314 B12R0.90 COC(=O)C(C)CSCS(=O)(=O)N 62a_100000698445_100000741382 [0,1,0,0,0,1|2,0,0]=4 315 B12R0.90 COC(=O)C(C)CSCS(=O)(=O)N 62a_100000741382_100000698445 [0,1,0,0,0,1|2,0,0]=4 316 B12R0.90 COC(=O)C(C)CSCS(=O)(=O)[O-] 62a_100000698445_100009817235 [0,1,0,0,0,1|2,0,0]=4 317 B12R0.90 COC(=O)C(C)CSCS(=O)(=O)[O-] 62a_100009817235_100000698445 [0,1,0,0,0,1|2,0,0]=4 318 B12R0.90 COC(=O)C(C)NCCS(=O)(=O)C 2230a_100000740961_100000211248 [0,1,0,0,0,1|1,0,0]=3 319 B12R0.90 COC(=O)C(C)NCCS(=O)(=O)C 34a_100000740961_100000211248 [0,1,0,0,0,1|1,0,0]=3 320 B12R0.90 COC(=O)C(C)NCCS(=O)(=O)N 2230a_100000738205_100000211248 [0,1,0,0,0,1|2,0,0]=4 321 B12R0.90 COC(=O)C(C)NCCS(=O)(=O)N 34a_100000738205_100000211248 [0,1,0,0,0,1|2,0,0]=4 322 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)C 34a_100000211924_100000211248 [0,1,0,0,0,1|1,0,0]=3 323 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)C 34a_100011215400_100000731031 [0,1,0,0,0,1|1,0,0]=3 324 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)C 7a_100000211924_100000211248 [0,1,0,0,0,1|1,0,0]=3 325 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)N 34a_100012334274_100000211248 [0,1,0,0,0,1|2,0,0]=4 326 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)[O-] 34a_100011215400_100000762736 [0,1,0,0,0,1|2,0,0]=4 327 B12R0.90 COC(=O)C(C)SCCS(=O)(=O)C 62a_100000211248_100000230027 [0,1,0,0,0,1|1,0,0]=3 328 B12R0.90 COC(=O)C(C)SCCS(=O)(=O)C 62a_100000731031_100000211248 [0,1,0,0,0,1|1,0,0]=3 329 B12R0.90 COC(=O)C(C)SCCS(=O)(=O)[O-] 62a_100000211248_100000762736 [0,1,0,0,0,1|2,0,0]=4 330 B12R0.90 COC(=O)C(C)SCCS(=O)(=O)[O-] 62a_100000762736_100000211248 [0,1,0,0,0,1|2,0,0]=4 331 B12R0.90 COC(=O)C(F)COCS(=O)(=O)[O-] 34a_200009849844_100009817235 [0,1,0,0,0,1|2,0,0]=4 332 B12R0.90 COC(=O)[C@H](N)COCS(=O)(=O)[O-] 34a_100000003586_100009817235 [0,1,0,0,0,1|1,0,0]=3 333 B12R0.90 NNC(=O)C(N)COCS(=O)(=O)[O-] 34a_100016989258_100009817235 [0,1,0,0,0,1|2,0,0]=4 334 B12R0.209 CCS(=O)(=O)CCNC(C)C(=O)C 2230a_100000751051_100009814033 [0,1,0,0,0,1|2,0,0]=4 335 B12R0.209 CCS(=O)(=O)CCNC(C)C(=O)N 2230a_100000751051_100000702099 [0,1,0,0,0,1|2,0,0]=4 336 B12R0.209 CCS(=O)(=O)CCNC(C)C(=O)N 34a_100000751051_100000702099 [0,1,0,0,0,1|2,0,0]=4 337 B12R0.209 CCS(=O)(=O)CCNC(F)C(=O)N 2230a_100000751051_100009813875 [0,1,0,0,0,1|2,0,0]=4 338 B12R0.209 CCS(=O)(=O)CCNC(F)C(=O)N 34a_100000751051_100009813875 [0,1,0,0,0,1|2,0,0]=4 339 B12R0.209 CCS(=O)(=O)CCNC(F)C(=O)[O-] 34a_100000751051_100020610796 [0,1,0,0,0,1|1,0,1]=4 340 B12R0.209 CCS(=O)(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000756660 [0,1,0,0,0,1|1,0,0]=3 341 B12R0.209 CCS(=O)(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000756660 [0,1,0,0,0,1|2,0,0]=4 342 B12R0.209 CCS(=O)(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100000756660 [0,1,0,0,0,1|2,0,0]=4 343 B12R0.209 CCS(=O)(=O)CCOC(C)C(=O)C 34a_100000212229_100000756660 [0,1,0,0,0,1|2,0,0]=4 344 B12R0.209 CCS(=O)(=O)CCOC(C)C(=O)C 7a_200011216379_100000179758 [0,1,0,0,0,1|2,0,0]=4 345 B12R0.209 CCS(=O)(=O)CCOC(C)C(=O)N 34a_200011216379_100000702099 [0,1,0,0,0,1|2,0,0]=4 346 B12R0.209 CCS(=O)(=O)CCOC(C)C(=O)N 7a_200011216379_100000702099 [0,1,0,0,0,1|2,0,0]=4 347 B12R0.209 CCS(=O)(=O)CCOC(F)C(=O)N 34a_200011216379_100009813875 [0,1,0,0,0,1|2,0,0]=4 348 B12R0.209 CCS(=O)(=O)CCOC(F)C(=O)N 7a_200011216379_100009813875 [0,1,0,0,0,1|2,0,0]=4 349 B12R0.209 CCS(=O)(=O)CCOC(F)C(=O)[O-] 34a_200011216379_100020610796 [0,1,0,0,0,1|1,0,1]=4 350 B12R0.209 CCS(=O)(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000756660 [0,1,0,0,0,1|1,0,1]=4 351 B12R0.209 CCS(=O)(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100000756660 [0,1,0,0,0,1|2,0,0]=4 352 B12R0.209 CCS(=O)(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000756660 [0,1,0,0,0,1|2,0,0]=4 353 B12R0.209 CCS(=O)(=O)CCSC(C)C(=O)C 62a_100000756660_100009814033 [0,1,0,0,0,1|2,0,0]=4 354 B12R0.209 CCS(=O)(=O)CCSC(C)C(=O)C 62a_100009814033_100000756660 [0,1,0,0,0,1|2,0,0]=4 355 B12R0.209 CCS(=O)(=O)CCSC(C)C(=O)N 62a_100000702099_100000756660 [0,1,0,0,0,1|2,0,0]=4 356 B12R0.209 CCS(=O)(=O)CCSC(C)C(=O)N 62a_100000756660_100000702099 [0,1,0,0,0,1|2,0,0]=4 357 B12R0.209 CCS(=O)(=O)CCSC(F)C(=O)N 62a_100000756660_100009813875 [0,1,0,0,0,1|2,0,0]=4 358 B12R0.209 CCS(=O)(=O)CCSC(F)C(=O)N 62a_100009813875_100000756660 [0,1,0,0,0,1|2,0,0]=4 359 B12R0.209 CCS(=O)(=O)CCSC(F)C(=O)[O-] 62a_100000756660_100020610796 [0,1,0,0,0,1|1,0,1]=4 360 B12R0.209 CCS(=O)(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000756660 [0,1,0,0,0,1|1,0,1]=4 361 B12R0.209 CNS(=O)(=O)CCNC(C)C(=O)C 2230a_100000710037_100009814033 [0,1,0,0,0,1|2,0,0]=4 362 B12R0.209 CNS(=O)(=O)CCNC(C)C(=O)N 2230a_100000710037_100000702099 [0,1,0,0,0,1|2,0,0]=4 363 B12R0.209 CNS(=O)(=O)CCNC(C)C(=O)N 34a_100000710037_100000702099 [0,1,0,0,0,1|2,0,0]=4 364 B12R0.209 CNS(=O)(=O)CCNC(F)C(=O)N 2230a_100000710037_100009813875 [0,1,0,0,0,1|2,0,0]=4 365 B12R0.209 CNS(=O)(=O)CCNC(F)C(=O)N 34a_100000710037_100009813875 [0,1,0,0,0,1|2,0,0]=4 366 B12R0.209 CNS(=O)(=O)CCNC(F)C(=O)[O-] 34a_100000710037_100020610796 [0,1,0,0,0,1|1,0,1]=4 367 B12R0.261 C[C@H](NCC(O)S(=O)(=O)[O-])C(=O)O 269956a_100000743915_200000035551 [0,1,0,0,0,1|2,0,0]=4 368 B12R0.311 CC(=O)C(C)(C)OCCS(=O)(=O)C 34a_100000747739_100000731031 [0,1,0,0,0,1|2,0,0]=4 369 B12R0.311 CC(=O)C(C)(C)OCCS(=O)(=O)C 7a_100000211924_100000075568 [0,1,0,0,0,1|2,0,0]=4 370 B12R0.311 CC(=O)C(C)(C)OCCS(=O)(=O)C 7a_100000747739_100000230027 [0,1,0,0,0,1|2,0,0]=4 371 B12R0.311 CC(=O)C(C)(C)SCCS(=O)(=O)C 62a_100000075568_100000230027 [0,1,0,0,0,1|2,0,0]=4 372 B12R0.311 CC(=O)C(C)(C)SCCS(=O)(=O)C 62a_100000731031_100000075568 [0,1,0,0,0,1|2,0,0]=4 373 B12R0.311 CC(C)(CNCS(=O)(=O)N)C(=O)O 269956a_100000693527_100000741382 [0,1,0,0,0,1|2,0,0]=4 374 B12R0.311 CC(C)(CNCS(=O)(=O)[O-])C(=O)O 269956a_100000693527_100009817235 [0,1,0,0,0,1|2,0,0]=4 375 B12R0.311 CC(C)(NCCS(=O)(=O)C)C(=O)N 2230a_100000740961_100000702505 [0,1,0,0,0,1|2,0,0]=4 376 B12R0.311 CC(C)(NCCS(=O)(=O)C)C(=O)N 2230a_100000743658_100000731031 [0,1,0,0,0,1|2,0,0]=4 377 B12R0.311 CC(C)(NCCS(=O)(=O)C)C(=O)N 34a_100000740961_100000702505 [0,1,0,0,0,1|2,0,0]=4 378 B12R0.311 CC(C)(NCCS(=O)(=O)C)C(=O)N 34a_100000743658_100000731031 [0,1,0,0,0,1|2,0,0]=4 379 B12R0.311 CC(C)(OCCS(=O)(=O)C)C(=O)N 34a_100000211924_100000702505 [0,1,0,0,0,1|2,0,0]=4 380 B12R0.311 CC(C)(OCCS(=O)(=O)C)C(=O)N 34a_100011626353_100000731031 [0,1,0,0,0,1|2,0,0]=4 381 B12R0.311 CC(C)(OCCS(=O)(=O)C)C(=O)N 7a_100000211924_100000702505 [0,1,0,0,0,1|2,0,0]=4 382 B12R0.311 CC(C)(OCCS(=O)(=O)C)C(=O)N 7a_100011626353_100000230027 [0,1,0,0,0,1|2,0,0]=4 383 B12R0.311 CC(C)(SCCS(=O)(=O)C)C(=O)N 62a_100000702505_100000230027 [0,1,0,0,0,1|2,0,0]=4 384 B12R0.311 CC(C)(SCCS(=O)(=O)C)C(=O)N 62a_100000731031_100000702505 [0,1,0,0,0,1|2,0,0]=4 385 B12R0.311 CS(=O)(=O)CCNC(F)(F)C(=O)[O-] 34a_100000740961_100020612412 [0,1,0,0,0,1|1,0,1]=4 386 B12R0.311 CS(=O)(=O)CCOC(F)(F)C(=O)N 7a_100000211924_100009811971 [0,1,0,0,0,1|2,0,0]=4 387 B12R0.311 CS(=O)(=O)CCOC(F)(F)C(=O)[O-] 34a_100000211924_100020612412 [0,1,0,0,0,1|1,0,1]=4 388 B12R0.311 CS(=O)(=O)CCSC(F)(F)C(=O)N 62a_100000731031_100009811971 [0,1,0,0,0,1|2,0,0]=4 389 B12R0.311 CS(=O)(=O)CCSC(F)(F)C(=O)N 62a_100009811971_100000230027 [0,1,0,0,0,1|2,0,0]=4 390 B12R0.311 CS(=O)(=O)CCSC(F)(F)C(=O)[O-] 62a_100000731031_100000745680 [0,1,0,0,0,1|1,0,1]=4 391 B12R0.311 CS(=O)(=O)CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000230027 [0,1,0,0,0,1|1,0,1]=4 392 B12R0.311 NS(=O)(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000741382 [0,1,0,0,0,1|2,0,0]=4 393 B12R0.311 O=C(O)C(F)(F)CNCS(=O)(=O)[O-] 269956a_100000734215_100009817235 [0,1,0,0,0,1|2,0,0]=4 394 B12R0.586 C=C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100016992060_100000731031 [0,1,0,0,0,1|1,0,0]=3 395 B12R0.586 C=C[C@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100016992060_100000762736 [0,1,0,0,0,1|2,0,0]=4 396 B12R0.586 CCC(NCCS(=O)(=O)C)C(=O)N 2230a_100000733705_100000731031 [0,1,0,0,0,1|2,0,0]=4 397 B12R0.586 CCC(NCCS(=O)(=O)C)C(=O)N 2230a_100000740961_100000750255 [0,1,0,0,0,1|2,0,0]=4 398 B12R0.586 CCC(NCCS(=O)(=O)C)C(=O)N 34a_100000733705_100000731031 [0,1,0,0,0,1|2,0,0]=4 399 B12R0.586 CCC(NCCS(=O)(=O)C)C(=O)N 34a_100000740961_100000750255 [0,1,0,0,0,1|2,0,0]=4 400 B12R0.586 CCC(OCCS(=O)(=O)C)C(=O)N 34a_100000211924_100000750255 [0,1,0,0,0,1|2,0,0]=4 401 B12R0.586 CCC(OCCS(=O)(=O)C)C(=O)N 7a_100000211924_100000750255 [0,1,0,0,0,1|2,0,0]=4 402 B12R0.586 CCC(SCCS(=O)(=O)C)C(=O)N 62a_100000731031_100000750255 [0,1,0,0,0,1|2,0,0]=4 403 B12R0.586 CCC(SCCS(=O)(=O)C)C(=O)N 62a_100000750255_100000230027 [0,1,0,0,0,1|2,0,0]=4 404 B12R0.586 CC[C@@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000747097_100000731031 [0,1,0,0,0,1|1,0,0]=3 405 B12R0.586 CC[C@@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100000747097_100000762736 [0,1,0,0,0,1|2,0,0]=4 406 B12R0.586 CS(=O)(=O)CCNC(C#N)C(=O)N 2230a_100000039599_100000731031 [0,1,0,0,0,1|1,0,1]=4 407 B12R0.586 CS(=O)(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000731031 [0,1,0,0,0,1|1,0,0]=3 408 B12R0.586 CS(=O)(=O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000731031 [0,1,0,0,0,1|2,0,0]=4 409 B12R0.586 CS(=O)(=O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000731031 [0,1,0,0,0,1|2,0,0]=4 410 B12R0.586 O=C(O)C(CO)NCCS(=O)(=O)[O-] 269956a_100000187304_100000762736 [0,1,0,0,0,1|2,0,0]=4 411 B12R0.947 CC(=O)C(C)C(=O)CCS(=O)(=O)C 1458a_100000737124_100000179758 [0,1,0,0,0,1|2,0,0]=4 412 B12R0.947 CC(=O)C(C)N(C)CCS(=O)(=O)C 2230a_100000750128_100009814033 [0,1,0,0,0,1|2,0,0]=4 413 B12R0.947 CC(=O)C(C)N(C)CCS(=O)(=O)C 269982a_100000750128_100009814033 [0,1,0,0,0,1|2,0,0]=4 414 B12R0.947 CC(C(=O)N)C(=O)CCS(=O)(=O)C 1458a_100000737124_100000702099 [0,1,0,0,0,1|2,0,0]=4 415 B12R0.947 CC(C(=O)N)N(C)CCS(=O)(=O)C 2230a_100000750128_100000702099 [0,1,0,0,0,1|2,0,0]=4 416 B12R0.947 CC(C(=O)N)N(C)CCS(=O)(=O)C 269982a_100000750128_100000184083 [0,1,0,0,0,1|2,0,0]=4 417 B12R0.947 CC(C(=O)N)N(C)CCS(=O)(=O)C 34a_100000750128_100000702099 [0,1,0,0,0,1|2,0,0]=4 418 B12R0.947 CC(C(=O)O)N(C)CCS(=O)(=O)C 269956a_100000749554_100000731031 [0,1,0,0,0,1|1,0,0]=3 419 B12R0.947 CC(C(=O)O)N(C)CCS(=O)(=O)[O-] 269956a_100000749554_100000762736 [0,1,0,0,0,1|2,0,0]=4 420 B12R0.947 CN(CCS(=O)(=O)C)C(F)C(=O)N 2230a_100000750128_100009813875 [0,1,0,0,0,1|2,0,0]=4 421 B12R0.947 CN(CCS(=O)(=O)C)C(F)C(=O)N 269982a_100000750128_100009813875 [0,1,0,0,0,1|2,0,0]=4 422 B12R0.947 CN(CCS(=O)(=O)C)C(F)C(=O)N 34a_100000750128_100009813875 [0,1,0,0,0,1|2,0,0]=4 423 B12R0.947 CN(CCS(=O)(=O)C)C(F)C(=O)[O-] 34a_100000750128_100020610796 [0,1,0,0,0,1|1,0,1]=4 424 B12R0.947 CS(=O)(=O)CCC(=O)C(F)C(=O)N 1458a_100000737124_100009813875 [0,1,0,0,0,1|2,0,0]=4 425 B12R0.947 CS(=O)(=O)CCC(=O)C(F)C(=O)[O-] 1458a_100000737124_100020610796 [0,1,0,0,0,1|1,0,1]=4 426 B12R0.947 C[C@@H](OCS(=O)(=O)[O-])[C@H](N)C(=O)N 34a_100000003557_100009817235 [0,1,0,0,0,1|2,0,0]=4 427 B12R0.207 CCS(=O)(=O)CCN(C)CC(=O)O 269956a_100000746989_100000756660 [0,1,0,0,0,1|2,0,0]=4 428 B12R0.484 COC(=O)CC(=O)CCS(=O)(=O)C 1458a_100000211351_100000731031 [0,1,0,0,0,1|1,0,1]=4 429 B12R0.484 COC(=O)CC(=O)CCS(=O)(=O)C 1458a_100000737124_100000747449 [0,1,0,0,0,1|1,0,1]=4 430 B12R0.484 COC(=O)CN(C)CCS(=O)(=O)C 2230a_100000198492_100000731031 [0,1,0,0,0,1|2,0,0]=4 431 B12R0.484 COC(=O)CN(C)CCS(=O)(=O)C 2230a_100000750128_100000747449 [0,1,0,0,0,1|2,0,0]=4 432 B12R0.484 COC(=O)CN(C)CCS(=O)(=O)C 269982a_100000750128_100000747449 [0,1,0,0,0,1|2,0,0]=4 433 B12R0.484 COC(=O)CN(C)CCS(=O)(=O)C 34a_100000750128_100000747449 [0,1,0,0,0,1|2,0,0]=4 434 B12R0.484 CS(=O)(=O)CCC(=O)CC(=O)CO 1458a_100000210174_100103131435 [0,1,0,0,0,1|1,0,1]=4 435 B12R0.665 CCN(CCS(=O)(=O)C)CC(=O)O 269956a_100000746405_100000731031 [0,1,0,0,0,1|2,0,0]=4 436 B12R0.105 COC(=O)C(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000211248 [0,2,0,0,0,0|1,0,1]=4 437 B12R0.178 CN(CCS(=O)(=O)C)C(=O)CCO 240690a_100000750128_100011216618 [0,2,0,0,0,0|2,0,0]=4 438 B12R0.178 COCC(=O)N(C)CCS(=O)(=O)C 11a_100000750128_100000210968 [0,2,0,0,0,0|2,0,0]=4 439 B12R0.178 COCC(=O)N(C)CCS(=O)(=O)C 1626a_100000750128_100000210968 [0,2,0,0,0,0|2,0,0]=4 440 B12R0.178 COCC(=O)N(C)CCS(=O)(=O)C 240690a_100000750128_100000210968 [0,2,0,0,0,0|2,0,0]=4 441 B12R0.178 COCC(=O)N(C)CCS(=O)(=O)C 527a_100000750128_100000210968 [0,2,0,0,0,0|2,0,0]=4 442 B12R0.493 COC(=O)C(CN)OCS(=O)(=O)[O-] 34a_100000695228_100009817235 [0,2,0,0,0,0|2,0,0]=4 443 B12R0.629 CCS(=O)(=O)CCN(C)C(=O)CO 240690a_100000694288_100000210174 [0,2,0,0,0,0|2,0,0]=4 444 B12R0.629 CCS(=O)(=O)CCN(C)C(=O)CO 527a_100000694288_100000210174 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200000210301 [1,0,0,1,0,0|2,0,0]=4 446 B10R1.359 [13CH3]C(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200025704644 [1,0,0,1,0,0|2,0,0]=4 447 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 11a_100000695474_100015343762 [1,0,0,1,0,0|2,0,0]=4 448 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 1626a_100000695474_100015343762 [1,0,0,1,0,0|2,0,0]=4 449 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 240690a_100000695474_100015343762 [1,0,0,1,0,0|2,0,0]=4 450 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 527a_100000695474_100103153847 [1,0,0,1,0,0|2,0,0]=4 451 B12R1.207 CS(=O)(=O)CCNC1CCC1=O 34a_100000740961_100009892977 [0,0,0,1,0,1|2,0,0]=4 452 B12R1.207 CS(=O)(=O)CCOC1CCC1=O 34a_100000211924_100009892977 [0,0,0,1,0,1|2,0,0]=4 453 B12R1.207 CS(=O)(=O)CCOC1CCC1=O 7a_100000211924_100009892977 [0,0,0,1,0,1|2,0,0]=4 454 B12R1.207 CS(=O)(=O)CCSC1CCC1=O 62a_100000731031_100009892977 [0,0,0,1,0,1|2,0,0]=4 455 B12R1.207 CS(=O)(=O)CCSC1CCC1=O 62a_100009892977_100000230027 [0,0,0,1,0,1|2,0,0]=4 456 B12R1.254 CC(=O)C1CCN(C1)S(=O)(=O)C 1458a_100011791326_200000210301 [0,0,0,1,0,1|2,0,0]=4 457 B12R1.254 CS(=O)(=O)N1CCC(C1)C(=O)N 40a_100000752358_100000738038 [0,0,0,1,0,1|2,0,0]=4 458 B12R1.254 CS(=O)(=O)N1CCC(C1)C(=O)[13CH3] 1458a_100011791326_200025704644 [0,0,0,1,0,1|2,0,0]=4 459 B12R1.2213 CC(=O)C(C)NC1CS(=O)(=O)C1 2230a_100000695474_100009814033 [0,0,0,1,0,1|2,0,0]=4 460 B12R1.2213 CC(=O)C(C)OC1CS(=O)(=O)C1 7a_100000072295_100000179758 [0,0,0,1,0,1|2,0,0]=4 461 B12R1.2213 CC(NC1CS(=O)(=O)C1)C(=O)N 2230a_100000695474_100000702099 [0,0,0,1,0,1|2,0,0]=4 462 B12R1.2213 CC(NC1CS(=O)(=O)C1)C(=O)N 34a_100000695474_100000702099 [0,0,0,1,0,1|2,0,0]=4 463 B12R1.2213 CC(OC1CS(=O)(=O)C1)C(=O)N 34a_100000072295_100000702099 [0,0,0,1,0,1|2,0,0]=4 464 B12R1.2213 CC(OC1CS(=O)(=O)C1)C(=O)N 7a_100000072295_100000702099 [0,0,0,1,0,1|2,0,0]=4 465 B12R1.2213 NC(=O)C(F)NC1CS(=O)(=O)C1 2230a_100000695474_100009813875 [0,0,0,1,0,1|2,0,0]=4 466 B12R1.2213 NC(=O)C(F)NC1CS(=O)(=O)C1 34a_100000695474_100009813875 [0,0,0,1,0,1|2,0,0]=4 467 B12R1.2213 NC(=O)C(F)OC1CS(=O)(=O)C1 34a_100000072295_100009813875 [0,0,0,1,0,1|2,0,0]=4 468 B12R1.2213 NC(=O)C(F)OC1CS(=O)(=O)C1 7a_100000072295_100009813875 [0,0,0,1,0,1|2,0,0]=4 469 B12R1.2213 O=C([O-])C(F)NC1CS(=O)(=O)C1 34a_100000695474_100020610796 [0,0,0,1,0,1|1,0,1]=4 470 B12R1.2213 O=C([O-])C(F)OC1CS(=O)(=O)C1 34a_100000072295_100020610796 [0,0,0,1,0,1|1,0,1]=4 471 B12R1.1393 CC(=O)N[C@H]1C[C@@H](C1)S(=O)(=O)C 11a_200121570650_100015343762 [0,0,0,1,0,1|2,0,0]=4 472 B12R1.1393 CC(=O)N[C@H]1C[C@@H](C1)S(=O)(=O)C 1626a_200121570650_100015343762 [0,0,0,1,0,1|2,0,0]=4 473 B12R1.1393 CC(=O)N[C@H]1C[C@@H](C1)S(=O)(=O)C 240690a_200121570650_100015343762 [0,0,0,1,0,1|2,0,0]=4 474 B12R1.1393 CC(=O)N[C@H]1C[C@@H](C1)S(=O)(=O)C 527a_200121570650_100103153847 [0,0,0,1,0,1|2,0,0]=4 475 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 11a_100000739226_100015343762 [0,0,0,1,0,1|2,0,0]=4 476 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 1626a_100000739226_100015343762 [0,0,0,1,0,1|2,0,0]=4 477 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 240690a_100000739226_100015343762 [0,0,0,1,0,1|2,0,0]=4 478 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 527a_100000739226_100103153847 [0,0,0,1,0,1|2,0,0]=4 479 B12R1.1831 CC(=O)NC1(CCS(=O)(=O)C1)C 11a_100000684085_100015343762 [0,0,0,1,0,1|2,0,0]=4 480 B12R1.1831 CC(=O)NC1(CCS(=O)(=O)C1)C 1626a_100000684085_100015343762 [0,0,0,1,0,1|2,0,0]=4 481 B12R1.1831 CC(=O)NC1(CCS(=O)(=O)C1)C 240690a_100000684085_100015343762 [0,0,0,1,0,1|2,0,0]=4 482 B12R1.1831 CC(=O)NC1(CCS(=O)(=O)C1)C 527a_100000684085_100103153847 [0,0,0,1,0,1|2,0,0]=4 483 B12R1.1661 COC(=O)C1CN(C1)S(=O)(=O)C 40a_100015188540_100000738038 [0,1,0,1,0,0|2,0,0]=4 484 B12R1.1661 CS(=O)(=O)C1CN(C1)C(=O)CO 240690a_100000695683_100000210174 [0,1,0,1,0,0|2,0,0]=4 485 B12R1.1661 CS(=O)(=O)C1CN(C1)C(=O)CO 527a_100000695683_100000210174 [0,1,0,1,0,0|2,0,0]=4 486 B12R1.1704 CCC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_100000210202 [0,1,0,1,0,0|2,0,0]=4 487 B12R1.1704 CNC(=O)C1CCS(=O)(=O)CC1 11a_106832991635_100000755231 [0,1,0,1,0,0|2,0,0]=4 488 B12R1.1704 CNC(=O)C1CCS(=O)(=O)CC1 1626a_100102657272_100000755231 [0,1,0,1,0,0|2,0,0]=4 489 B12R1.1704 CNC(=O)C1CCS(=O)(=O)CC1 240690a_100102657272_100000755231 [0,1,0,1,0,0|2,0,0]=4 490 B12R1.1704 CNC(=O)C1CCS(=O)(=O)CC1 527a_100102657272_100000755231 [0,1,0,1,0,0|2,0,0]=4 491 B12R1.1704 O=C(CF)C1CCS(=O)(=O)CC1 1458a_100000755231_100015361967 [0,1,0,1,0,0|2,0,0]=4 492 B12R1.1704 O=C(CO)N1CCS(=O)(=O)CC1 240690a_100000750940_100000210174 [0,1,0,1,0,0|2,0,0]=4 493 B12R1.1704 O=C(CO)N1CCS(=O)(=O)CC1 527a_100000750940_100000210174 [0,1,0,1,0,0|2,0,0]=4 494 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [1,0,0,0,0,1|2,0,0]=4 495 B10R0.15 C=C(C)CNCCS(=O)(=O)C 2230a_100000740961_100000748629 [1,0,0,0,0,1|2,0,0]=4 496 B10R0.15 C=C(C)CNCCS(=O)(=O)C 34a_100000740961_100000748629 [1,0,0,0,0,1|2,0,0]=4 497 B10R0.15 C=C(C)COCCS(=O)(=O)C 34a_100000210245_100000731031 [1,0,0,0,0,1|2,0,0]=4 498 B10R0.15 C=C(C)COCCS(=O)(=O)C 34a_100000211924_100000748629 [1,0,0,0,0,1|2,0,0]=4 499 B10R0.15 C=C(C)COCCS(=O)(=O)C 7a_100000211924_100000748629 [1,0,0,0,0,1|2,0,0]=4 500 B10R0.15 C=C(C)CSCCS(=O)(=O)C 62a_100000731031_100000211660 [1,0,0,0,0,1|2,0,0]=4 501 B10R0.15 C=C(C)CSCCS(=O)(=O)C 62a_100000748629_100000230027 [1,0,0,0,0,1|2,0,0]=4 502 B10R0.15 C=C(F)CNCCS(=O)(=O)C 2230a_100000740961_100009893438 [1,0,0,0,0,1|2,0,0]=4 503 B10R0.15 C=C(F)CNCCS(=O)(=O)C 34a_100000740961_100009893438 [1,0,0,0,0,1|2,0,0]=4 504 B10R0.15 C=C(F)COCCS(=O)(=O)C 34a_100000211924_100009893438 [1,0,0,0,0,1|2,0,0]=4 505 B10R0.15 C=C(F)COCCS(=O)(=O)C 34a_200010262243_100000731031 [1,0,0,0,0,1|2,0,0]=4 506 B10R0.15 C=C(F)COCCS(=O)(=O)C 7a_100000211924_100000042424 [1,0,0,0,0,1|2,0,0]=4 507 B10R0.15 C=C(F)CSCCS(=O)(=O)C 62a_100000042424_100000230027 [1,0,0,0,0,1|2,0,0]=4 508 B10R0.15 C=C(F)CSCCS(=O)(=O)C 62a_100000731031_100000042424 [1,0,0,0,0,1|2,0,0]=4 509 B10R0.15 CC(=O)CCOCS(=O)(=O)[O-] 34a_100000759926_100009817235 [1,0,0,0,0,1|2,0,0]=4 510 B10R0.15 CC(=O)CCSCS(=O)(=O)N 62a_100000053229_100000741382 [1,0,0,0,0,1|2,0,0]=4 511 B10R0.15 CC(=O)CCSCS(=O)(=O)N 62a_100000741382_100000053229 [1,0,0,0,0,1|2,0,0]=4 512 B10R0.15 CC(=O)CCSCS(=O)(=O)[O-] 62a_100000053229_100009817235 [1,0,0,0,0,1|2,0,0]=4 513 B10R0.15 CC(=O)CCSCS(=O)(=O)[O-] 62a_100009817235_100000053229 [1,0,0,0,0,1|2,0,0]=4 514 B10R0.15 CC(=O)COCCS(=O)(=O)C 34a_100000211253_100000731031 [1,0,0,0,0,1|1,0,0]=3 515 B10R0.15 CC(=O)COCCS(=O)(=O)[O-] 34a_100000211253_100000762736 [1,0,0,0,0,1|2,0,0]=4 516 B10R0.15 CC(=O)NCCCS(=O)(=O)C 11a_100000742409_100015343762 [1,0,0,0,0,1|1,0,0]=3 517 B10R0.15 CC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100015343762 [1,0,0,0,0,1|1,0,0]=3 518 B10R0.15 CC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100015343762 [1,0,0,0,0,1|1,0,0]=3 519 B10R0.15 CC(=O)NCCCS(=O)(=O)C 527a_100000742409_100103153847 [1,0,0,0,0,1|1,0,0]=3 520 B10R0.15 CC(=O)NCCNS(=O)(=O)C 11a_100000752411_100015343762 [1,0,0,0,0,1|2,0,0]=4 521 B10R0.15 CC(=O)NCCNS(=O)(=O)C 1626a_100000752411_100015343762 [1,0,0,0,0,1|2,0,0]=4 522 B10R0.15 CC(=O)NCCNS(=O)(=O)C 240690a_100000752411_100015343762 [1,0,0,0,0,1|2,0,0]=4 523 B10R0.15 CC(=O)NCCNS(=O)(=O)C 40a_100000209853_100000738038 [1,0,0,0,0,1|2,0,0]=4 524 B10R0.15 CC(=O)NCCNS(=O)(=O)C 527a_100000752411_100103153847 [1,0,0,0,0,1|2,0,0]=4 525 B10R0.15 CC(=O)OCCNS(=O)(=O)C 40a_100000724843_100000738038 [1,0,0,0,0,1|2,0,0]=4 526 B10R0.15 CC(=O)SCCNS(=O)(=O)C 40a_100020647217_100000738038 [1,0,0,0,0,1|2,0,0]=4 527 B10R0.15 CC(O)CNCCS(=O)(=O)C 2230a_100000210904_100000731031 [1,0,0,0,0,1|1,0,1]=4 528 B10R0.15 CC(O)CNCCS(=O)(=O)C 2230a_100000740961_100011218427 [1,0,0,0,0,1|1,0,1]=4 529 B10R0.15 CC(O)CNCCS(=O)(=O)C 34a_100000210904_100000731031 [1,0,0,0,0,1|1,0,1]=4 530 B10R0.15 CC(O)CNCCS(=O)(=O)C 34a_100000740961_100011218427 [1,0,0,0,0,1|1,0,1]=4 531 B10R0.15 CC(O)COCCS(=O)(=O)C 34a_100000211924_100011218427 [1,0,0,0,0,1|1,0,1]=4 532 B10R0.15 CC(O)COCCS(=O)(=O)C 7a_100000211924_100011218427 [1,0,0,0,0,1|1,0,1]=4 533 B10R0.15 CC(O)CSCCS(=O)(=O)C 62a_100000731031_100011218427 [1,0,0,0,0,1|1,0,1]=4 534 B10R0.15 CC(O)CSCCS(=O)(=O)C 62a_100011218427_100000230027 [1,0,0,0,0,1|1,0,1]=4 535 B10R0.15 CS(=O)(=O)CCNCC(=O)N 2230a_100000711301_100000731031 [1,0,0,0,0,1|1,0,0]=3 536 B10R0.15 CS(=O)(=O)CCNCC(=O)N 2230a_100000740961_100000747473 [1,0,0,0,0,1|1,0,0]=3 537 B10R0.15 CS(=O)(=O)CCNCC(=O)N 34a_100000740961_100000187820 [1,0,0,0,0,1|1,0,0]=3 538 B10R0.15 CS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000731031 [1,0,0,0,0,1|0,0,0]=2 539 B10R0.15 CS(=O)(=O)CCNCC(=O)[O-] 34a_100000740961_100020667443 [1,0,0,0,0,1|0,0,1]=3 540 B10R0.15 CS(=O)(=O)CCNC[N+](=O)[O-] 34a_100000740961_100000761209 [1,0,0,0,0,1|1,0,1]=4 541 B10R0.15 CS(=O)(=O)CCOCC(=O)N 34a_100000211924_100000187820 [1,0,0,0,0,1|1,0,0]=3 542 B10R0.15 CS(=O)(=O)CCOCC(=O)N 7a_100000211924_100000187820 [1,0,0,0,0,1|1,0,0]=3 543 B10R0.15 CS(=O)(=O)CCOCC(=O)[O-] 34a_100000211924_100020667443 [1,0,0,0,0,1|0,0,1]=3 544 B10R0.15 CS(=O)(=O)CCOC[N+](=O)[O-] 34a_100000211924_100000761209 [1,0,0,0,0,1|1,0,1]=4 545 B10R0.15 CS(=O)(=O)CCSCC(=O)N 62a_100000731031_100000747473 [1,0,0,0,0,1|1,0,0]=3 546 B10R0.15 CS(=O)(=O)CCSCC(=O)N 62a_100000747473_100000230027 [1,0,0,0,0,1|1,0,0]=3 547 B10R0.15 CS(=O)(=O)CCSCC(=O)[O-] 62a_100000731031_100020667443 [1,0,0,0,0,1|0,0,1]=3 548 B10R0.15 CS(=O)(=O)CCSCC(=O)[O-] 62a_100020667443_100000230027 [1,0,0,0,0,1|0,0,1]=3 549 B10R0.15 CS(=O)(=O)CCSC[N+](=O)[O-] 62a_100000731031_100000761209 [1,0,0,0,0,1|1,0,1]=4 550 B10R0.15 CS(=O)(=O)NCCCC(=O)N 40a_100000739312_100000738038 [1,0,0,0,0,1|1,0,0]=3 551 B10R0.15 CS(=O)CCCNS(=O)(=O)C 40a_200000753449_100000738038 [1,0,0,0,0,1|2,0,0]=4 552 B10R0.15 C[C@@H](O)CNCCS(=O)(=O)C 2230a_100000740961_100009817552 [1,0,0,0,0,1|1,0,1]=4 553 B10R0.15 C[C@@H](O)CNCCS(=O)(=O)C 34a_100000740961_100009817552 [1,0,0,0,0,1|1,0,1]=4 554 B10R0.15 C[C@@H](O)COCCS(=O)(=O)C 34a_100000211924_100009817552 [1,0,0,0,0,1|1,0,1]=4 555 B10R0.15 C[C@@H](O)COCCS(=O)(=O)C 7a_100000211924_100009817552 [1,0,0,0,0,1|1,0,1]=4 556 B10R0.15 C[C@@H](O)CSCCS(=O)(=O)C 62a_100000731031_100009817552 [1,0,0,0,0,1|1,0,1]=4 557 B10R0.15 C[C@@H](O)CSCCS(=O)(=O)C 62a_100009817552_100000230027 [1,0,0,0,0,1|1,0,1]=4 558 B10R0.15 NC(=O)CCOCS(=O)(=O)[O-] 34a_100000757172_100009817235 [1,0,0,0,0,1|2,0,0]=4 559 B10R0.15 NC(=O)CCSCS(=O)(=O)N 62a_100000741382_100000744528 [1,0,0,0,0,1|2,0,0]=4 560 B10R0.15 NC(=O)CCSCS(=O)(=O)N 62a_100000744528_100000741382 [1,0,0,0,0,1|2,0,0]=4 561 B10R0.15 NC(=O)CCSCS(=O)(=O)[O-] 62a_100000744528_100009817235 [1,0,0,0,0,1|2,0,0]=4 562 B10R0.15 NC(=O)CCSCS(=O)(=O)[O-] 62a_100009817235_100000744528 [1,0,0,0,0,1|2,0,0]=4 563 B10R0.15 NC(=O)CNCCS(=O)(=O)N 2230a_100000738205_100000747473 [1,0,0,0,0,1|2,0,0]=4 564 B10R0.15 NC(=O)CNCCS(=O)(=O)N 34a_100000738205_100000187820 [1,0,0,0,0,1|2,0,0]=4 565 B10R0.15 NC(=O)CNCCS(=O)(=O)[O-] 2230a_100000711301_100000737633 [1,0,0,0,0,1|2,0,0]=4 566 B10R0.15 NC(=O)COCCS(=O)(=O)N 34a_100012334274_100000187820 [1,0,0,0,0,1|2,0,0]=4 567 B10R0.15 NC(=O)CSCCS(=O)(=O)[O-] 62a_100000747473_100000762736 [1,0,0,0,0,1|2,0,0]=4 568 B10R0.15 NC(=O)CSCCS(=O)(=O)[O-] 62a_100000762736_100000747473 [1,0,0,0,0,1|2,0,0]=4 569 B10R0.15 NS(=O)(=O)CCNCC(=O)[O-] 34a_100000738205_100020667443 [1,0,0,0,0,1|1,0,1]=4 570 B10R0.15 NS(=O)(=O)CCOCC(=O)[O-] 34a_100012334274_100020667443 [1,0,0,0,0,1|1,0,1]=4 571 B10R0.15 NS(=O)(=O)CNOCC(=O)O 269956a_100000106656_100000741382 [1,0,0,0,0,1|2,0,0]=4 572 B10R0.15 O=C(O)CNCCS(=O)(=O)[O-] 269956a_100016091260_100000762736 [1,0,0,0,0,1|1,0,0]=3 573 B10R0.15 O=C(O)CONCS(=O)(=O)[O-] 269956a_100000106656_100009817235 [1,0,0,0,0,1|2,0,0]=4 574 B10R0.15 O=C([O-])CSCCS(=O)(=O)[O-] 62a_100000762736_100020667443 [1,0,0,0,0,1|1,0,1]=4 575 B10R0.15 O=C([O-])CSCCS(=O)(=O)[O-] 62a_100020667443_100000762736 [1,0,0,0,0,1|1,0,1]=4 576 B12R0.66 CC(=O)OC(C)SCCS(=O)(=O)C 62a_100000731031_100009818208 [0,0,0,0,0,2|2,0,0]=4 577 B12R0.66 CC(=O)OC(C)SCCS(=O)(=O)C 62a_100009818208_100000230027 [0,0,0,0,0,2|2,0,0]=4 578 B12R0.66 CN(CCCS(=O)(=O)C)CC(=O)O 269956a_100000746989_100000754308 [0,0,0,0,0,2|2,0,0]=4 579 B12R0.66 CN(CCNS(=O)(=O)C)CC(=O)O 269956a_100000746989_100000754112 [0,0,0,0,0,2|2,0,0]=4 580 B12R0.66 CN(CCOS(=O)(=O)C)CC(=O)O 269956a_100000746989_200000036756 [0,0,0,0,0,2|2,0,0]=4 581 B12R0.66 NS(=O)(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000741382 [0,0,0,0,0,2|2,0,0]=4 582 B12R0.66 O=C(O)CC(O)CNCS(=O)(=O)[O-] 269956a_100011218706_100009817235 [0,0,0,0,0,2|2,0,0]=4 583 B12R0.264 CC(=O)C(C)COCCS(=O)(=O)C 34a_100000032740_100000731031 [0,0,0,0,0,2|2,0,0]=4 584 B12R0.264 CC(=O)C(C)COCCS(=O)(=O)C 7a_100000032740_100000230027 [0,0,0,0,0,2|2,0,0]=4 585 B12R0.264 CC(=O)C(C)NCCCS(=O)(=O)C 2230a_100000742409_100009814033 [0,0,0,0,0,2|2,0,0]=4 586 B12R0.264 CC(=O)C(C)OCCCS(=O)(=O)C 34a_100000212229_100000754308 [0,0,0,0,0,2|2,0,0]=4 587 B12R0.264 CC(=O)C(C)OCCCS(=O)(=O)C 7a_100000689940_100000179758 [0,0,0,0,0,2|2,0,0]=4 588 B12R0.264 CC(=O)C(C)OCCOS(=O)(=O)C 34a_100000212229_200000036756 [0,0,0,0,0,2|2,0,0]=4 589 B12R0.264 CC(=O)C(C)SCCCS(=O)(=O)C 62a_100000754308_100009814033 [0,0,0,0,0,2|2,0,0]=4 590 B12R0.264 CC(=O)C(C)SCCCS(=O)(=O)C 62a_100009814033_100000754308 [0,0,0,0,0,2|2,0,0]=4 591 B12R0.264 CC(=O)C(C)SCCNS(=O)(=O)C 62a_100000754112_100009814033 [0,0,0,0,0,2|2,0,0]=4 592 B12R0.264 CC(=O)C(C)SCCNS(=O)(=O)C 62a_100009814033_100000754112 [0,0,0,0,0,2|2,0,0]=4 593 B12R0.264 CC(=O)C(C)SCCOS(=O)(=O)C 62a_100009814033_200000036756 [0,0,0,0,0,2|2,0,0]=4 594 B12R0.264 CC(=O)C(C)SCCOS(=O)(=O)C 62a_200000036756_100009814033 [0,0,0,0,0,2|2,0,0]=4 595 B12R0.264 CC(CNCCS(=O)(=O)C)C(=O)O 269956a_100000749485_100000731031 [0,0,0,0,0,2|1,0,0]=3 596 B12R0.264 CC(CNCCS(=O)(=O)[O-])C(=O)O 269956a_100000749485_100000762736 [0,0,0,0,0,2|2,0,0]=4 597 B12R0.264 CC(NCCCS(=O)(=O)C)C(=O)N 2230a_100000742409_100000702099 [0,0,0,0,0,2|2,0,0]=4 598 B12R0.264 CC(NCCCS(=O)(=O)C)C(=O)N 34a_100000742409_100000702099 [0,0,0,0,0,2|2,0,0]=4 599 B12R0.264 CC(NCCNS(=O)(=O)C)C(=O)N 34a_100000752411_100000702099 [0,0,0,0,0,2|2,0,0]=4 600 B12R0.264 CC(OCCCS(=O)(=O)C)C(=O)N 34a_100000689940_100000702099 [0,0,0,0,0,2|2,0,0]=4 601 B12R0.264 CC(OCCCS(=O)(=O)C)C(=O)N 7a_100000689940_100000702099 [0,0,0,0,0,2|2,0,0]=4 602 B12R0.264 CC(SCCCS(=O)(=O)C)C(=O)N 62a_100000702099_100000754308 [0,0,0,0,0,2|2,0,0]=4 603 B12R0.264 CC(SCCCS(=O)(=O)C)C(=O)N 62a_100000754308_100000702099 [0,0,0,0,0,2|2,0,0]=4 604 B12R0.264 CC(SCCNS(=O)(=O)C)C(=O)N 62a_100000702099_100000754112 [0,0,0,0,0,2|2,0,0]=4 605 B12R0.264 CC(SCCNS(=O)(=O)C)C(=O)N 62a_100000754112_100000702099 [0,0,0,0,0,2|2,0,0]=4 606 B12R0.264 CC(SCCOS(=O)(=O)C)C(=O)N 62a_100000702099_200000036756 [0,0,0,0,0,2|2,0,0]=4 607 B12R0.264 CC(SCCOS(=O)(=O)C)C(=O)N 62a_200000036756_100000702099 [0,0,0,0,0,2|2,0,0]=4 608 B12R0.264 CS(=O)(=O)CCCNC(F)C(=O)N 2230a_100000742409_100009813875 [0,0,0,0,0,2|2,0,0]=4 609 B12R0.264 CS(=O)(=O)CCCNC(F)C(=O)N 34a_100000742409_100009813875 [0,0,0,0,0,2|2,0,0]=4 610 B12R0.264 CS(=O)(=O)CCCNC(F)C(=O)[O-] 34a_100000742409_100020610796 [0,0,0,0,0,2|1,0,1]=4 611 B12R0.264 CS(=O)(=O)CCCOC(F)C(=O)N 34a_100000689940_100009813875 [0,0,0,0,0,2|2,0,0]=4 612 B12R0.264 CS(=O)(=O)CCCOC(F)C(=O)N 7a_100000689940_100009813875 [0,0,0,0,0,2|2,0,0]=4 613 B12R0.264 CS(=O)(=O)CCCOC(F)C(=O)[O-] 34a_100000689940_100020610796 [0,0,0,0,0,2|1,0,1]=4 614 B12R0.264 CS(=O)(=O)CCCSC(F)C(=O)N 62a_100000754308_100009813875 [0,0,0,0,0,2|2,0,0]=4 615 B12R0.264 CS(=O)(=O)CCCSC(F)C(=O)N 62a_100009813875_100000754308 [0,0,0,0,0,2|2,0,0]=4 616 B12R0.264 CS(=O)(=O)CCCSC(F)C(=O)[O-] 62a_100000754308_100020610796 [0,0,0,0,0,2|1,0,1]=4 617 B12R0.264 CS(=O)(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100000754308 [0,0,0,0,0,2|1,0,1]=4 618 B12R0.264 CS(=O)(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000731031 [0,0,0,0,0,2|1,0,0]=3 619 B12R0.264 CS(=O)(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731031 [0,0,0,0,0,2|1,0,0]=3 620 B12R0.264 CS(=O)(=O)NCCNC(F)C(=O)N 34a_100000752411_100009813875 [0,0,0,0,0,2|2,0,0]=4 621 B12R0.264 CS(=O)(=O)NCCNC(F)C(=O)[O-] 34a_100000752411_100020610796 [0,0,0,0,0,2|1,0,1]=4 622 B12R0.264 CS(=O)(=O)NCCSC(F)C(=O)N 62a_100000754112_100009813875 [0,0,0,0,0,2|2,0,0]=4 623 B12R0.264 CS(=O)(=O)NCCSC(F)C(=O)N 62a_100009813875_100000754112 [0,0,0,0,0,2|2,0,0]=4 624 B12R0.264 CS(=O)(=O)NCCSC(F)C(=O)[O-] 62a_100000754112_100020610796 [0,0,0,0,0,2|1,0,1]=4 625 B12R0.264 CS(=O)(=O)NCCSC(F)C(=O)[O-] 62a_100020610796_100000754112 [0,0,0,0,0,2|1,0,1]=4 626 B12R0.264 CS(=O)(=O)OCCSC(F)C(=O)N 62a_100009813875_200000036756 [0,0,0,0,0,2|2,0,0]=4 627 B12R0.264 CS(=O)(=O)OCCSC(F)C(=O)N 62a_200000036756_100009813875 [0,0,0,0,0,2|2,0,0]=4 628 B12R0.264 CS(=O)(=O)OCCSC(F)C(=O)[O-] 62a_100020610796_200000036756 [0,0,0,0,0,2|1,0,1]=4 629 B12R0.264 CS(=O)(=O)OCCSC(F)C(=O)[O-] 62a_200000036756_100020610796 [0,0,0,0,0,2|1,0,1]=4 630 B12R0.264 C[C@@H](NCCCS(=O)(=O)C)C(=O)N 2230a_100000119354_100000754308 [0,0,0,0,0,2|2,0,0]=4 631 B12R0.264 C[C@@H](NCCCS(=O)(=O)C)C(=O)N 34a_100000119354_100000754308 [0,0,0,0,0,2|2,0,0]=4 632 B12R0.264 C[C@@H](NCCNS(=O)(=O)C)C(=O)N 2230a_100000119354_100000754112 [0,0,0,0,0,2|2,0,0]=4 633 B12R0.264 C[C@@H](NCCOS(=O)(=O)C)C(=O)N 2230a_100000119354_200000036756 [0,0,0,0,0,2|2,0,0]=4 634 B12R0.264 C[C@@H](NCCOS(=O)(=O)C)C(=O)N 34a_100000119354_200000036756 [0,0,0,0,0,2|2,0,0]=4 635 B12R0.264 C[C@@H](OCCCS(=O)(=O)C)C(=O)N 34a_100000731257_100000754308 [0,0,0,0,0,2|2,0,0]=4 636 B12R0.264 C[C@@H](OCCCS(=O)(=O)C)C(=O)N 7a_100000731257_100000754308 [0,0,0,0,0,2|2,0,0]=4 637 B12R0.264 C[C@@H](OCCNS(=O)(=O)C)C(=O)N 7a_100000731257_100000754112 [0,0,0,0,0,2|2,0,0]=4 638 B12R0.264 C[C@@H](OCCOS(=O)(=O)C)C(=O)N 34a_100000731257_200000036756 [0,0,0,0,0,2|2,0,0]=4 639 B12R0.264 C[C@@H](OCCOS(=O)(=O)C)C(=O)N 7a_100000731257_200000036756 [0,0,0,0,0,2|2,0,0]=4 640 B12R0.264 C[C@H](NCCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000754308 [0,0,0,0,0,2|1,0,0]=3 641 B12R0.264 C[C@H](NCCCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000750626 [0,0,0,0,0,2|2,0,0]=4 642 B12R0.264 C[C@H](NCCCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009813499 [0,0,0,0,0,2|2,0,0]=4 643 B12R0.264 C[C@H](NCCNS(=O)(=O)C)C(=O)O 269956a_100000743915_100000754112 [0,0,0,0,0,2|1,0,0]=3 644 B12R0.264 C[C@H](NCCOS(=O)(=O)C)C(=O)O 269956a_100000743915_200000036756 [0,0,0,0,0,2|1,0,0]=3 645 B12R0.264 C[C@H](OCCCS(=O)(=O)C)C(=O)[O-] 7a_217856618621_100000754308 [0,0,0,0,0,2|1,0,1]=4 646 B12R0.264 C[C@H](OCCNS(=O)(=O)C)C(=O)[O-] 7a_217856618621_100000754112 [0,0,0,0,0,2|1,0,1]=4 647 B12R0.264 C[C@H](OCCOS(=O)(=O)C)C(=O)[O-] 7a_217856618621_200000036756 [0,0,0,0,0,2|1,0,1]=4 648 B12R0.264 NC(=O)[C@@H](N)COCCS(=O)(=O)[O-] 34a_100000729942_100000762736 [0,0,0,0,0,2|2,0,0]=4 649 B12R0.264 O=C(O)C(F)CNCCS(=O)(=O)[O-] 269956a_100000084737_100000762736 [0,0,0,0,0,2|2,0,0]=4