0 B8R0.2 C#CC(=O)C(C)C(=O)C 1458a_100000211873_100000179758 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.2 C#CC(=O)C(C)C(=O)N 1458a_100000211873_100000702099 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.2 C#CC(=O)C(F)C(=O)N 1458a_100000211873_100009813875 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.2 C#CC(=O)C(F)C(=O)[O-] 1458a_100000211873_100020610796 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.2 C=CC(=O)C(C)C(=O)N 1458a_100000185746_100000702099 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.2 C=CC(=O)C(F)C(=O)N 1458a_100000185746_100009813875 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.2 C=CC(=O)C(F)C(=O)[O-] 1458a_100000185746_100020610796 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,0,0,0,0,0|4,0,0]=4 53 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,0,0,0,0,0|2,0,0]=2 54 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,0,0,0,0,0|2,0,0]=2 56 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [0,0,0,0,0,0|4,0,0]=4 63 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.2 C#CC(=O)CC(=O)[O-] 1458a_100000211873_100020667443 [1,0,0,0,0,0|0,0,3]=4 67 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,0,0,0,0,0|0,0,3]=4 73 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,0,0|1,0,0]=2 81 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,0,0|1,0,0]=2 82 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,0,0|0,0,1]=2 84 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,0,0,0,0,0|3,0,0]=4 90 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,0,0|1,0,2]=4 97 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,0,0|1,0,2]=4 98 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,0,0|1,0,2]=4 99 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,0,0,0,0,0|3,0,0]=4 110 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,0,0,0,0,0|2,0,0]=3 112 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,0,0|2,0,0]=3 116 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,0,0|2,0,0]=3 117 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [1,0,0,0,0,0|2,0,0]=3 119 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [1,0,0,0,0,0|3,0,0]=4 123 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|1,0,1]=3 130 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [1,0,0,0,0,0|3,0,0]=4 132 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,0,0,0,0|1,0,1]=3 133 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,0,0,0,0|1,0,1]=3 134 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|1,0,1]=3 135 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|1,0,1]=3 136 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|1,0,1]=3 137 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,0,0,0,0,0|3,0,0]=4 146 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|1,0,0]=2 147 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,0,0,0,0|2,0,0]=3 148 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,0,0,0,0|2,0,0]=3 149 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|2,0,0]=3 151 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,0,0,0,0|2,0,0]=3 152 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|2,0,0]=3 153 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,0,0,0,0,0|3,0,0]=4 154 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,0,0,0,0|1,0,1]=3 156 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,0,0,0,0|2,0,0]=3 157 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,0,0,0,0|2,0,0]=3 158 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|2,0,0]=3 160 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|1,0,1]=3 169 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [1,0,0,0,0,0|3,0,0]=4 178 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [1,0,0,0,0,0|3,0,0]=4 179 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [1,0,0,0,0,0|3,0,0]=4 180 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|2,0,0]=3 181 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,1]=4 183 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,0,0,0,0,0|1,0,1]=3 184 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,0,0,0,0|1,0,1]=3 186 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,0,0,0,0,0|1,0,0]=2 190 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [1,0,0,0,0,0|2,0,0]=3 191 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [1,0,0,0,0,0|2,0,0]=3 192 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [1,0,0,0,0,0|2,0,0]=3 193 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [1,0,0,0,0,0|2,0,0]=3 194 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [1,0,0,0,0,0|2,0,0]=3 195 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [1,0,0,0,0,0|3,0,0]=4 196 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [1,0,0,0,0,0|2,0,1]=4 197 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,0,0,0,0,0|1,0,1]=3 199 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,0,0,0,0,0|1,0,1]=3 200 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,0,0,0,0|1,0,1]=3 201 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,0,0,0,0|1,0,1]=3 202 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,0,0,0,0,0|2,0,0]=3 203 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,0,0,0,0,0|2,0,0]=3 204 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,0,0,0,0,0|2,0,0]=3 205 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,0,0,0,0,0|2,0,0]=3 206 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,0,0,0,0,0|2,0,0]=3 207 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,0,0,0,0,0|2,0,0]=3 208 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,0,0,0,0,0|2,0,0]=3 209 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,0,0,0,0,0|2,0,0]=3 210 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,0,0,0,0|2,0,1]=4 211 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,0,0,0,0,0|1,0,1]=3 212 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,0,0,0,0|2,0,1]=4 213 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,0,0,0,0|2,0,1]=4 214 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,0,0,0,0|2,0,1]=4 215 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,0,0,0,0|2,0,1]=4 216 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,0,0,0,0,0|2,0,1]=4 217 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,0,0,0,0|2,0,1]=4 218 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,0,0,0,0,0|2,0,1]=4 219 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,0,0,0,0,0|2,0,1]=4 220 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,0,0,0,0,0|2,0,1]=4 221 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,0,0,0,0,0|2,0,1]=4 222 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,0,0,0,0,0|2,0,1]=4 223 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,0,0,0,0,0|2,0,1]=4 224 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,0,0,0,0,0|2,0,1]=4 225 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,0,0,0,0,0|2,0,1]=4 228 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,0,0,0,0,0|2,0,1]=4 229 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,0,0,0,0,0|2,0,1]=4 230 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [1,0,0,0,0,0|2,0,1]=4 231 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [1,0,0,0,0,0|2,0,1]=4 232 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [1,0,0,0,0,0|2,0,1]=4 233 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [1,0,0,0,0,0|2,0,1]=4 234 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,0,0,0,0,0|3,0,0]=4 235 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,0,0,0,0,0|3,0,0]=4 242 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,0,0,0,0,0|3,0,0]=4 243 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,0,0,0,0,0|3,0,0]=4 244 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,0,0,0,0,0|3,0,0]=4 246 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,0,0,0,0,0|3,0,0]=4 248 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,0,0,0,0,0|3,0,0]=4 249 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,0,0,0,0,0|3,0,0]=4 250 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,0,0,0,0,0|2,0,1]=4 251 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,0,0,0,0,0|3,0,0]=4 252 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,0,0,0,0,0|3,0,0]=4 253 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,0,0,0,0,0|3,0,0]=4 254 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,0,0,0,0,0|3,0,0]=4 255 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,0,0,0,0,0|3,0,0]=4 256 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,0,0,0,0,0|3,0,0]=4 257 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,0,0,0,0,0|3,0,0]=4 258 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,0,0,0,0,0|3,0,0]=4 260 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,0,0,0,0,0|3,0,0]=4 262 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,0,0,0,0,0|3,0,0]=4 263 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,0,0,0,0,0|3,0,0]=4 264 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,0,0,0,0,0|3,0,0]=4 265 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,0,0,0,0,0|3,0,0]=4 266 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,0,0,0,0,0|3,0,0]=4 267 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [1,0,0,0,0,0|1,0,0]=2 269 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [1,0,0,0,0,0|1,0,0]=2 270 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,0,0,0,0,0|3,0,0]=4 272 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,0,0,0,0,0|3,0,0]=4 273 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [1,0,0,0,0,0|2,0,0]=3 274 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [1,0,0,0,0,0|1,0,1]=3 275 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,0,0,0,0,0|3,0,0]=4 278 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,0,0,0,0|2,0,0]=3 279 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,0,0,0,0|2,0,0]=3 280 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,0,0,0,0,0|2,0,1]=4 281 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,0,0,0,0,0|3,0,0]=4 282 B9R0.6 C#CCC(=O)C(C)C(=O)C 1458a_100011220946_100000179758 [0,1,0,0,0,0|1,0,1]=3 283 B9R0.6 C#CCC(=O)C(C)C(=O)N 1458a_100011220946_100000702099 [0,1,0,0,0,0|1,0,1]=3 284 B9R0.6 C#CCC(=O)C(F)C(=O)N 1458a_100011220946_100009813875 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.6 C#CCC(=O)C(F)C(=O)[O-] 1458a_100011220946_100020610796 [0,1,0,0,0,0|1,0,2]=4 286 B9R0.6 C#CCN(C)C(C)C(=O)O 269956a_100000749554_100000184674 [0,1,0,0,0,0|2,0,1]=4 287 B9R0.6 C=CCC(=O)C(C)C(=O)C 1458a_100000210193_100000179758 [0,1,0,0,0,0|1,0,1]=3 288 B9R0.6 C=CCC(=O)C(C)C(=O)N 1458a_100000210193_100000702099 [0,1,0,0,0,0|1,0,1]=3 289 B9R0.6 C=CCC(=O)C(F)C(=O)N 1458a_100000210193_100009813875 [0,1,0,0,0,0|2,0,1]=4 290 B9R0.6 C=CCC(=O)C(F)C(=O)[O-] 1458a_100000210193_100020610796 [0,1,0,0,0,0|1,0,2]=4 291 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [0,1,0,0,0,0|2,0,1]=4 292 B9R0.6 CC#CC(=O)C(C)C(=O)C 1458a_100000763181_100000179758 [0,1,0,0,0,0|1,0,1]=3 293 B9R0.6 CC#CC(=O)C(C)C(=O)N 1458a_100000763181_100000702099 [0,1,0,0,0,0|1,0,1]=3 294 B9R0.6 CC#CC(=O)C(F)C(=O)N 1458a_100000763181_100009813875 [0,1,0,0,0,0|2,0,1]=4 295 B9R0.6 CC#CC(=O)C(F)C(=O)[O-] 1458a_100000763181_100020610796 [0,1,0,0,0,0|1,0,2]=4 296 B9R0.6 CC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000179758 [0,1,0,0,0,0|1,0,2]=4 297 B9R0.6 CC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000179758 [0,1,0,0,0,0|1,0,2]=4 298 B9R0.6 CC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000179758 [0,1,0,0,0,0|1,0,2]=4 299 B9R0.6 CC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000179758 [0,1,0,0,0,0|1,0,1]=3 300 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,0,0,0,0|1,0,0]=2 301 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.6 CC(C(=O)N)C(=O)C=CBr 1458a_100016273825_100000702099 [0,1,0,0,0,0|1,0,2]=4 304 B9R0.6 CC(C(=O)N)C(=O)C=CCl 1458a_200016279998_100000702099 [0,1,0,0,0,0|1,0,2]=4 305 B9R0.6 CC(C(=O)N)C(=O)C=CI 1458a_100016256311_100000702099 [0,1,0,0,0,0|1,0,2]=4 306 B9R0.6 CC(C(=O)N)C(=O)CC#N 1458a_100051588842_100000702099 [0,1,0,0,0,0|1,0,1]=3 307 B9R0.6 CC(C(=O)N)C(=O)CCO 1458a_100011216618_100000702099 [0,1,0,0,0,0|1,0,0]=2 308 B9R0.6 CC(C(=O)N)N(C)CCO 2230a_100000210263_100000702099 [0,1,0,0,0,0|3,0,0]=4 309 B9R0.6 CC(C(=O)N)N(C)CCO 269982a_100000210263_100000184083 [0,1,0,0,0,0|3,0,0]=4 310 B9R0.6 CC(C(=O)O)N(C)CC#N 269956a_100000749554_100011215382 [0,1,0,0,0,0|2,0,1]=4 311 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,1,0,0,0,0|2,0,1]=4 312 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,0,0,0,0|2,0,0]=3 313 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,0,0,0,0|2,0,0]=3 314 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,0,0,0,0|2,0,0]=3 315 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,0,0,0,0|2,0,0]=3 316 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,1,0,0,0,0|2,0,1]=4 317 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,1,0,0,0,0|2,0,1]=4 318 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,1,0,0,0,0|1,0,1]=3 319 B9R0.6 CC=CC(=O)C(C)C(=O)N 1458a_100000210699_100000702099 [0,1,0,0,0,0|1,0,1]=3 320 B9R0.6 CC=CC(=O)C(F)C(=O)N 1458a_100000210699_100009813875 [0,1,0,0,0,0|2,0,1]=4 321 B9R0.6 CC=CC(=O)C(F)C(=O)[O-] 1458a_100000210699_100020610796 [0,1,0,0,0,0|1,0,2]=4 322 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,0|1,0,0]=2 323 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,0,0,0,0|1,0,0]=2 324 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,0,0|2,0,1]=4 325 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,1,0,0,0,0|2,0,0]=3 326 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,1,0,0,0,0|1,0,1]=3 327 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,1,0,0,0,0|3,0,0]=4 328 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,0,0,0,0|3,0,0]=4 329 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,0,0,0,0|3,0,0]=4 330 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [0,1,0,0,0,0|3,0,0]=4 331 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [0,1,0,0,0,0|3,0,0]=4 332 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,0,0,0,0|2,0,0]=3 333 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,0,0|1,0,0]=2 334 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,1,0,0,0,0|2,0,1]=4 335 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,1,0,0,0,0|2,0,1]=4 336 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,1,0,0,0,0|2,0,1]=4 337 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,1,0,0,0,0|3,0,0]=4 338 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,1,0,0,0,0|3,0,0]=4 339 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,1,0,0,0,0|3,0,0]=4 340 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,1,0,0,0,0|3,0,0]=4 341 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,0|1,0,0]=2 342 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,0|1,0,0]=2 343 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,0|1,0,0]=2 344 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,0,0|3,0,0]=4 345 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,0,0|3,0,0]=4 346 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,0,0|2,0,0]=3 347 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,1,0,0,0,0|1,0,0]=2 348 B9R0.6 COCC(=O)C(C)C(=O)N 1458a_100000210968_100000702099 [0,1,0,0,0,0|1,0,0]=2 349 B9R0.6 COCC(=O)C(F)C(=O)N 1458a_100000210968_100009813875 [0,1,0,0,0,0|2,0,0]=3 350 B9R0.6 COCC(=O)C(F)C(=O)[O-] 1458a_100000210968_100020610796 [0,1,0,0,0,0|1,0,1]=3 351 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,1,0,0,0,0|2,0,0]=3 352 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,1,0,0,0,0|1,0,0]=2 353 B9R0.6 CSCC(=O)C(C)C(=O)N 1458a_100000184570_100000702099 [0,1,0,0,0,0|1,0,0]=2 354 B9R0.6 CSCC(=O)C(F)C(=O)N 1458a_100000184570_100009813875 [0,1,0,0,0,0|2,0,0]=3 355 B9R0.6 CSCC(=O)C(F)C(=O)[O-] 1458a_100000184570_100020610796 [0,1,0,0,0,0|1,0,1]=3 356 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,1,0,0,0,0|2,0,0]=3 357 B9R0.6 C[C@@H](C(=O)CCF)N(C)C 1458a_100009822176_100011217306 [0,1,0,0,0,0|3,0,0]=4 358 B9R0.6 C[C@@H](C(=O)CCO)N(C)C 1458a_100009822176_100000211926 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.6 N#CCC(=O)C(F)C(=O)N 1458a_100051588842_100009813875 [0,1,0,0,0,0|2,0,1]=4 360 B9R0.6 N#CCC(=O)C(F)C(=O)[O-] 1458a_100051588842_100020610796 [0,1,0,0,0,0|1,0,2]=4 361 B9R0.6 NC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813875 [0,1,0,0,0,0|2,0,0]=3 362 B9R0.6 O=C([O-])C(F)C(=O)CCO 1458a_100011216618_100020610796 [0,1,0,0,0,0|1,0,1]=3 363 B9R0.25 CCC(=O)C(C)C(F)(F)F 1458a_100000137572_100000210202 [0,1,0,0,0,0|2,0,1]=4 364 B9R0.27 C#CC(=O)C(C)C(=O)CC 1458a_100000211873_100000742827 [0,1,0,0,0,0|1,0,0]=2 365 B9R0.27 C#CC(=O)C(C)C(=O)NC 1458a_100000211873_100000209862 [0,1,0,0,0,0|2,0,0]=3 366 B9R0.27 C#CC(=O)C(C)C(=O)OC 1458a_100000211873_100000211248 [0,1,0,0,0,0|0,0,2]=3 367 B9R0.27 C#CC(=O)C(F)C(=O)NC 1458a_100000211873_100009813575 [0,1,0,0,0,0|3,0,0]=4 368 B9R0.27 C=CC(=O)C(C)C(=O)CC 1458a_100000185746_100000742827 [0,1,0,0,0,0|1,0,0]=2 369 B9R0.27 C=CC(=O)C(C)C(=O)NC 1458a_100000185746_100000209862 [0,1,0,0,0,0|2,0,0]=3 370 B9R0.27 C=CC(=O)C(C)C(=O)OC 1458a_100000185746_100000211248 [0,1,0,0,0,0|0,0,2]=3 371 B9R0.27 C=CC(=O)C(F)C(=O)NC 1458a_100000185746_100009813575 [0,1,0,0,0,0|3,0,0]=4 372 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,1,0,0,0,0|1,0,0]=2 373 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [0,1,0,0,0,0|0,0,0]=1 374 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [0,1,0,0,0,0|1,0,0]=2 375 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,1,0,0,0,0|0,0,0]=1 376 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,1,0,0,0,0|0,0,0]=1 377 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [0,1,0,0,0,0|3,0,0]=4 378 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [0,1,0,0,0,0|3,0,0]=4 379 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [0,1,0,0,0,0|3,0,0]=4 380 B9R0.27 CCC(=O)C(F)C(=O)NC 1458a_100000210414_100009813575 [0,1,0,0,0,0|2,0,0]=3 381 B9R0.27 CCC(=O)N(C)C(C)CO 240690a_100000693034_100000210414 [0,1,0,0,0,0|2,0,1]=4 382 B9R0.27 CCC(=O)N(C)C(C)CO 527a_100000693034_100000210414 [0,1,0,0,0,0|2,0,1]=4 383 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,1,0,0,0,0|1,0,2]=4 384 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,1,0,0,0,0|2,0,1]=4 385 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,1,0,0,0,0|2,0,1]=4 386 B9R0.27 CCN(C)C(C)C(=O)CF 1458a_100011281945_100015361967 [0,1,0,0,0,0|3,0,0]=4 387 B9R0.27 CCN(C)C(C)C(=O)NC 2230a_100000225621_100000731044 [0,1,0,0,0,0|3,0,0]=4 388 B9R0.27 CCN(C)C(C)C(=O)NC 240690a_100102657272_100011281945 [0,1,0,0,0,0|3,0,0]=4 389 B9R0.27 CCN(C)C(C)C(=O)NC 269982a_100000225621_100000209862 [0,1,0,0,0,0|3,0,0]=4 390 B9R0.27 CCN(C)C(C)C(=O)NC 527a_100102657272_100011281945 [0,1,0,0,0,0|3,0,0]=4 391 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,1,0,0,0,0|2,0,0]=3 392 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,1,0,0,0,0|2,0,0]=3 393 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,1,0,0,0,0|2,0,0]=3 394 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,1,0,0,0,0|2,0,0]=3 395 B9R0.27 CNC(=O)C(C)C(=O)CO 1458a_100000210174_100000209862 [0,1,0,0,0,0|1,0,0]=2 396 B9R0.27 CNC(=O)C(C)C(=O)OC 11a_106832991635_100012027023 [0,1,0,0,0,0|1,0,0]=2 397 B9R0.27 CNC(=O)C(C)C(=O)OC 1626a_100102657272_100012027023 [0,1,0,0,0,0|1,0,0]=2 398 B9R0.27 CNC(=O)C(C)C(=O)OC 240690a_100102657272_100012027023 [0,1,0,0,0,0|1,0,0]=2 399 B9R0.27 CNC(=O)C(C)C(=O)OC 527a_100102657272_100012027023 [0,1,0,0,0,0|1,0,0]=2 400 B9R0.27 CNC(=O)C(F)C(=O)CO 1458a_100000210174_100009813575 [0,1,0,0,0,0|2,0,0]=3 401 B9R0.27 COC(=O)C(C)C(=O)CF 1458a_100012027023_100015361967 [0,1,0,0,0,0|1,0,0]=2 402 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [0,1,0,0,0,0|1,0,0]=2 403 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [0,1,0,0,0,0|3,0,0]=4 404 B9R0.28 C=C(Cl)C(C)(C)C(=O)CC 1458a_100000049003_100000210202 [0,1,0,0,0,0|2,0,0]=3 405 B9R0.28 C=C(Cl)C(C)(C)C(=O)CF 1458a_100000049003_100015361967 [0,1,0,0,0,0|3,0,0]=4 406 B9R0.28 C=C(Cl)C(C)(C)C(=O)NC 11a_106832991635_100000049003 [0,1,0,0,0,0|3,0,0]=4 407 B9R0.28 C=C(Cl)C(C)(C)C(=O)NC 1626a_100102657272_100000049003 [0,1,0,0,0,0|3,0,0]=4 408 B9R0.28 C=C(Cl)C(C)(C)C(=O)NC 240690a_100102657272_100000049003 [0,1,0,0,0,0|3,0,0]=4 409 B9R0.28 C=C(Cl)C(C)(C)C(=O)NC 527a_100102657272_100000049003 [0,1,0,0,0,0|3,0,0]=4 410 B9R0.28 CCC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210202 [0,1,0,0,0,0|3,0,0]=4 411 B9R0.28 CCC(=O)C(F)(F)C(=O)N 1458a_100000210414_100009811971 [0,1,0,0,0,0|2,0,0]=3 412 B9R0.28 CCN(C)C(C)(C)C(=O)C 269982a_100000225621_100000075568 [0,1,0,0,0,0|3,0,0]=4 413 B9R0.28 CCN(C)C(C)(C)C(=O)N 2230a_100000225621_100000702505 [0,1,0,0,0,0|3,0,0]=4 414 B9R0.28 CCN(C)C(C)(C)C(=O)N 269982a_100000225621_100000702505 [0,1,0,0,0,0|3,0,0]=4 415 B9R0.28 COC(=O)C(C)(C)C(=O)C 1458a_100012000394_200000210301 [0,1,0,0,0,0|2,0,0]=3 416 B9R0.28 COC(=O)C(C)(C)C(=O)[13CH3] 1458a_100012000394_200025704644 [0,1,0,0,0,0|2,0,0]=3 417 B9R0.28 NC(=O)C(F)(F)C(=O)CO 1458a_100000210174_100009811971 [0,1,0,0,0,0|3,0,0]=4 418 B9R0.29 C#CC(=O)C(CC)C(=O)N 1458a_100000211873_100000750255 [0,1,0,0,0,0|1,0,2]=4 419 B9R0.29 C=CC(=O)C(CC)C(=O)N 1458a_100000185746_100000750255 [0,1,0,0,0,0|1,0,2]=4 420 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [0,1,0,0,0,0|1,0,0]=2 421 B9R0.29 CCC(=O)C(CC)N(C)C 1458a_100000689100_100000210202 [0,1,0,0,0,0|3,0,0]=4 422 B9R0.29 CCC(C(=O)C)C(=O)OC 1458a_100000070787_100000235869 [0,1,0,0,0,0|2,0,0]=3 423 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [0,1,0,0,0,0|3,0,0]=4 424 B9R0.29 CCC(C(=O)N)C(=O)CO 1458a_100000210174_100000750255 [0,1,0,0,0,0|2,0,0]=3 425 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [0,1,0,0,0,0|3,0,0]=4 426 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [0,1,0,0,0,0|3,0,0]=4 427 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [0,1,0,0,0,0|3,0,0]=4 428 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,1,0,0,0,0|2,0,0]=3 429 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [0,1,0,0,0,0|3,0,0]=4 430 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [0,1,0,0,0,0|3,0,0]=4 431 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,1,0,0,0,0|1,0,1]=3 432 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,1,0,0,0,0|1,0,1]=3 433 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,1,0,0,0,0|2,0,1]=4 434 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,1,0,0,0,0|2,0,1]=4 435 B9R0.29 CN(CF)[C@@H](CO)C(=O)O 269956a_100015362447_100015361967 [0,1,0,0,0,0|3,0,0]=4 436 B9R0.29 CNC(=O)C(NC)C(=O)C 7a_106832991635_100000210987 [0,1,0,0,0,0|2,0,0]=3 437 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_100000210987_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_200000210301_100000210987 [0,1,0,0,0,0|2,0,0]=3 439 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_100000210987_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210987 [0,1,0,0,0,0|2,0,0]=3 441 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 2230a_100102634413_200000210301 [0,1,0,0,0,0|2,0,1]=4 442 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 34a_100102634413_200000210301 [0,1,0,0,0,0|2,0,1]=4 443 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 2230a_100102634413_200025704644 [0,1,0,0,0,0|2,0,1]=4 444 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 34a_100102634413_200025704644 [0,1,0,0,0,0|2,0,1]=4 445 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,1,0,0,0,0|2,0,1]=4 446 B9R0.29 COC(=O)C(CO)C(=O)C 1458a_100000070787_100012276630 [0,1,0,0,0,0|2,0,0]=3 447 B9R0.29 COC(=O)C(SC)C(=O)C 62a_100011215331_200000210301 [0,1,0,0,0,0|2,0,0]=3 448 B9R0.29 COC(=O)C(SC)C(=O)C 62a_200000210301_100011215331 [0,1,0,0,0,0|2,0,0]=3 449 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_100011215331_200025704644 [0,1,0,0,0,0|2,0,0]=3 450 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100011215331 [0,1,0,0,0,0|2,0,0]=3 451 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,1,0,0,0,0|2,0,1]=4 452 B9R0.32 CCS(=O)(=O)C(C)C(=O)C 1458a_100011214461_200000210301 [0,1,0,0,0,0|2,0,0]=3 453 B9R0.32 CCS(=O)(=O)C(C)C(=O)[13CH3] 1458a_100011214461_200025704644 [0,1,0,0,0,0|2,0,0]=3 454 B9R0.41 CCN(CC)C(C)C(=O)C 2230a_100000724800_100009814033 [0,1,0,0,0,0|3,0,0]=4 455 B9R0.41 CCN(CC)C(C)C(=O)C 269956a_100000042499_100009814033 [0,1,0,0,0,0|3,0,0]=4 456 B9R0.41 CCN(CC)C(C)C(=O)C 269982a_100000724800_100009814033 [0,1,0,0,0,0|3,0,0]=4 457 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100000724800_100000702099 [0,1,0,0,0,0|3,0,0]=4 458 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100020603310_100000210202 [0,1,0,0,0,0|3,0,0]=4 459 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100000724800_100000184083 [0,1,0,0,0,0|3,0,0]=4 460 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100020603310_100000204670 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.41 CCN(CF)C(C)C(=O)N 269982a_100020603310_100015361967 [0,1,0,0,0,0|3,0,0]=4 462 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,1,0,0,0,0|1,0,1]=3 463 B9R0.79 C=C(C)C(=O)C(C)C(=O)N 1458a_100000185857_100000702099 [0,1,0,0,0,0|1,0,1]=3 464 B9R0.79 C=C(C)C(=O)C(F)C(=O)N 1458a_100000185857_100009813875 [0,1,0,0,0,0|2,0,1]=4 465 B9R0.79 C=C(C)C(=O)C(F)C(=O)[O-] 1458a_100000185857_100020610796 [0,1,0,0,0,0|1,0,2]=4 466 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,1,0,0,0,0|1,0,0]=2 467 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,1,0,0,0,0|1,0,0]=2 468 B9R0.79 CC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100000179758 [0,1,0,0,0,0|1,0,0]=2 469 B9R0.79 CC(=O)C(C)C(=O)C(O)O 1458a_100000233687_100000179758 [0,1,0,0,0,0|2,0,0]=3 470 B9R0.79 CC(=O)C(C)C(=O)N(C)C 1458a_100000070787_100000209910 [0,1,0,0,0,0|2,0,0]=3 471 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [0,1,0,0,0,0|1,0,0]=2 472 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [0,1,0,0,0,0|1,0,0]=2 473 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,1,0,0,0,0|3,0,0]=4 474 B9R0.79 CC(C(=O)N)C(=O)C(O)O 1458a_100000233687_100000702099 [0,1,0,0,0,0|2,0,0]=3 475 B9R0.79 CC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000702099 [0,1,0,0,0,0|1,0,0]=2 476 B9R0.79 CC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000702099 [0,1,0,0,0,0|1,0,0]=2 477 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,1,0,0,0,0|1,0,0]=2 478 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,1,0,0,0,0|2,0,1]=4 479 B9R0.79 CC(C)C(=O)C(C)N(C)C 2230a_100102631434_100009893295 [0,1,0,0,0,0|3,0,0]=4 480 B9R0.79 CC(C)C(=O)C(C)N(C)C 269982a_100102631434_100009893295 [0,1,0,0,0,0|3,0,0]=4 481 B9R0.79 CC(C)C(=O)C(F)C(=O)N 1458a_100000210198_100009813875 [0,1,0,0,0,0|2,0,0]=3 482 B9R0.79 CC(C)C(=O)C(F)C(=O)[O-] 1458a_100000210198_100020610796 [0,1,0,0,0,0|1,0,1]=3 483 B9R0.79 CC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000210206 [0,1,0,0,0,0|3,0,0]=4 484 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,1,0,0,0,0|3,0,0]=4 485 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,0|2,0,0]=3 486 B9R0.79 CC(F)C(=O)C(C)C(=O)N 1458a_100000062450_100000702099 [0,1,0,0,0,0|1,0,0]=2 487 B9R0.79 CC(F)C(=O)C(F)C(=O)N 1458a_100000062450_100009813875 [0,1,0,0,0,0|2,0,0]=3 488 B9R0.79 CC(F)C(=O)C(F)C(=O)[O-] 1458a_100000062450_100020610796 [0,1,0,0,0,0|1,0,1]=3 489 B9R0.79 C[C@@H](O)C(=O)C(F)C(=O)N 1458a_100000717761_100009813875 [0,1,0,0,0,0|2,0,0]=3 490 B9R0.79 C[C@@H](O)C(=O)C(F)C(=O)[O-] 1458a_100000717761_100020610796 [0,1,0,0,0,0|1,0,1]=3 491 B9R0.79 C[C@H](O)C(=O)C(F)C(=O)N 1458a_217856618621_100009813875 [0,1,0,0,0,0|2,0,0]=3 492 B9R0.79 C[C@H](O)C(=O)C(F)C(=O)[O-] 1458a_217856618621_100020610796 [0,1,0,0,0,0|1,0,1]=3 493 B9R0.79 NC(=O)C(F)C(=O)C(O)O 1458a_100000233687_100009813875 [0,1,0,0,0,0|3,0,0]=4 494 B9R0.79 O=C([O-])C(F)C(=O)C(O)O 1458a_100000233687_100020610796 [0,1,0,0,0,0|2,0,1]=4 495 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 496 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 497 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 498 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 499 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 500 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 501 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|1,0,0]=2 502 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|2,0,1]=4 503 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,0|2,0,0]=3 504 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|3,0,0]=4 505 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|2,0,1]=4 506 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,0,0,1,0,0|3,0,0]=4 507 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,0,0,1,0,0|3,0,0]=4 508 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,0,0,1,0,0|3,0,0]=4 509 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|2,0,0]=3 510 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|3,0,0]=4 511 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,0,0,1,0,0|3,0,0]=4 512 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,0,0,1,0,0|3,0,0]=4 513 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,0,0,1,0,0|3,0,0]=4 514 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|2,0,0]=3 515 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,0,0,1,0,0|3,0,0]=4 516 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,0,0,1,0,0|3,0,0]=4 517 B9R1.81 C#CC(=O)C1CCC1=O 1458a_100000211873_100009892977 [0,0,0,1,0,0|1,0,2]=4 518 B9R1.81 C=CC(=O)C1CCC1=O 1458a_100000185746_100009892977 [0,0,0,1,0,0|1,0,2]=4 519 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,0,0,1,0,0|1,0,0]=2 520 B9R1.81 CCN(C)C1CCC1=O 269982a_100000225621_100009892977 [0,0,0,1,0,0|3,0,0]=4 521 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,0,0,1,0,0|2,0,0]=3 522 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,1,0,0|2,0,0]=3 523 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,0,0,1,0,0|3,0,0]=4 524 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,0,0,1,0,0|3,0,0]=4 525 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,0,0,1,0,0|3,0,0]=4 526 B9R1.185 CCC(=O)C1CC1(F)F 1458a_100000042250_100000210202 [0,0,0,1,0,0|2,0,1]=4 527 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,0,0,1,0,0|2,0,1]=4 528 B9R0.23 C#CC(=O)C(C)OC(=O)C 1458a_100000211873_100009818208 [0,0,0,0,0,1|1,0,2]=4 529 B9R0.23 C=C(C)CN(C)C(=O)CC 11a_100000225649_100000210414 [0,0,0,0,0,1|3,0,0]=4 530 B9R0.23 C=C(C)CN(C)C(=O)CC 1626a_100000225649_100000210414 [0,0,0,0,0,1|3,0,0]=4 531 B9R0.23 C=C(C)CN(C)C(=O)CC 527a_100000225649_100000210414 [0,0,0,0,0,1|3,0,0]=4 532 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,0,0,0,0,1|1,0,2]=4 533 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [0,0,0,0,0,1|2,0,0]=3 534 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,0,0,0,0,1|2,0,0]=3 535 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,0,0,0,0,1|2,0,0]=3 536 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,0,0,0,0,1|2,0,1]=4 537 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,0,0,0,0,1|3,0,0]=4 538 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,0,0,0,0,1|2,0,1]=4 539 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,0,0,0,0,1|1,0,0]=2 540 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,0,0,0,0,1|2,0,1]=4 541 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,0,0,0,0,1|2,0,1]=4 542 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [0,0,0,0,0,1|2,0,0]=3 543 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [0,0,0,0,0,1|2,0,0]=3 544 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,0,0,0,0,1|2,0,1]=4 545 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,0,0,0,0,1|2,0,1]=4 546 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,0,0,0,0,1|1,0,0]=2 547 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,0,0,0,0,1|1,0,0]=2 548 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,0,0,0,0,1|2,0,1]=4 549 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,0,0,0,0,1|3,0,0]=4 550 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,0,0,0,0,1|3,0,0]=4 551 B9R0.23 CCN(C)C(C)OC(=O)C 269982a_100000225621_100009818208 [0,0,0,0,0,1|3,0,0]=4 552 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [0,0,0,0,0,1|3,0,0]=4 553 B9R0.23 CNC(=O)N(C)CC(=O)N 2708a_100102657272_100000739694 [0,0,0,0,0,1|3,0,0]=4 554 B9R0.23 CNC(=O)N(C)CC(=O)N 273464a_100102657272_100000739694 [0,0,0,0,0,1|3,0,0]=4 555 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [0,0,0,0,0,1|2,0,0]=3 556 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [0,0,0,0,0,1|2,0,0]=3 557 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [0,0,0,0,0,1|2,0,0]=3 558 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [0,0,0,0,0,1|2,0,0]=3 559 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [0,0,0,0,0,1|2,0,0]=3 560 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [0,0,0,0,0,1|2,0,0]=3 561 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [0,0,0,0,0,1|2,0,0]=3 562 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,0,0,0,0,1|2,0,0]=3 563 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,0,0,0,0,1|2,0,0]=3 564 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,0,0,0,0,1|2,0,0]=3 565 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,0,0,0,0,1|2,0,0]=3 566 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,0,0,0,0,1|2,0,0]=3 567 B9R0.42 C=CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_200121576911 [0,0,0,0,0,1|1,0,2]=4 568 B9R0.42 CC(=O)N(C)CC(=O)CF 1458a_100000194957_100015361967 [0,0,0,0,0,1|3,0,0]=4 569 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,0,0,0,0,1|2,0,1]=4 570 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [0,0,0,0,0,1|3,0,0]=4 571 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,0,0,0,0,1|2,0,0]=3 572 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,0,0,0,0,1|2,0,0]=3 573 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,0,0,0,0,1|1,0,0]=2 574 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,0,0,0,0,1|1,0,0]=2 575 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [0,0,0,0,0,1|2,0,1]=4 576 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [0,0,0,0,0,1|2,0,1]=4 577 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [0,0,0,0,0,1|2,0,1]=4 578 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [0,0,0,0,0,1|2,0,1]=4 579 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,0,0,0,0,1|1,0,0]=2 580 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,0,0,0,0,1|1,0,0]=2 581 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,0,0,0,0,1|1,0,0]=2 582 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,0,0,0,0,1|2,0,1]=4 583 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,0,0,0,0,1|2,0,1]=4 584 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,0,0,0,0,1|1,0,1]=3 585 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,0,0,0,0,1|2,0,1]=4 586 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,0,0,0,0,1|2,0,1]=4 587 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,0,0,0,0,1|2,0,1]=4 588 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,0,0,0,0,1|2,0,1]=4 589 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,0,0,0,0,1|2,0,1]=4 590 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,0,0,0,0,1|1,0,2]=4 591 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,0,0,0,0,1|2,0,1]=4 592 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,0,0,0,0,1|2,0,1]=4 593 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,0,0,0,0,1|2,0,1]=4 594 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,0,0,0,0,1|2,0,1]=4 595 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,0,0,0,0,1|2,0,1]=4 596 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,0,0,0,0,1|2,0,1]=4 597 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,0,0,0,0,1|3,0,0]=4 598 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,0,0,0,0,1|3,0,0]=4 599 B9R0.42 CN(CC(=O)CF)C(=O)N 1458a_100000218718_100015361967 [0,0,0,0,0,1|3,0,0]=4 600 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_100000189611_100015343762 [0,0,0,0,0,1|3,0,0]=4 601 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_106832991635_100000194957 [0,0,0,0,0,1|3,0,0]=4 602 B9R0.42 CNC(=O)CN(C)C(=O)C 1626a_100102657272_100000194957 [0,0,0,0,0,1|3,0,0]=4 603 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100000189611_100015343762 [0,0,0,0,0,1|3,0,0]=4 604 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100102657272_100000194957 [0,0,0,0,0,1|3,0,0]=4 605 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100000189611_100103153847 [0,0,0,0,0,1|3,0,0]=4 606 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100102657272_100000194957 [0,0,0,0,0,1|3,0,0]=4 607 B9R0.42 CNC(=O)CN(C)C(=O)N 240690a_100102657272_100000218718 [0,0,0,0,0,1|3,0,0]=4 608 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100102657272 [0,0,0,0,0,1|2,0,0]=3 609 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100102657272_100000119354 [0,0,0,0,0,1|2,0,0]=3 610 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100102657272 [0,0,0,0,0,1|2,0,0]=3 611 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_106832991638_100000119354 [0,0,0,0,0,1|2,0,0]=3 612 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,0,0,0,0,1|2,0,0]=3 613 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,0,0,0,0,1|2,0,0]=3 614 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,0,0,0,0,1|3,0,0]=4 615 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,0,0,0,0,1|3,0,0]=4 616 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,0,0,0,0,1|3,0,0]=4 617 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,0,0,0,0,1|3,0,0]=4 618 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,0,0,0,0,1|2,0,1]=4 619 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [0,0,0,0,0,1|2,0,0]=3 620 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [0,0,0,0,0,1|2,0,0]=3 621 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,0,0,0,0,1|2,0,1]=4 622 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|1,0,1]=4 623 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|1,0,1]=4 624 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [2,0,0,0,0,0|2,0,0]=4 625 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [2,0,0,0,0,0|2,0,0]=4 626 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|1,0,0]=3 627 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|1,0,0]=3 628 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [2,0,0,0,0,0|2,0,0]=4 629 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [2,0,0,0,0,0|2,0,0]=4 630 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [2,0,0,0,0,0|2,0,0]=4 631 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [2,0,0,0,0,0|2,0,0]=4 632 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [2,0,0,0,0,0|2,0,0]=4 633 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [2,0,0,0,0,0|2,0,0]=4 634 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|1,0,1]=4 635 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [2,0,0,0,0,0|1,0,1]=4 636 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [2,0,0,0,0,0|1,0,1]=4 637 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [2,0,0,0,0,0|1,0,1]=4 638 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 639 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 640 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,1]=4 641 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|0,0,1]=3 642 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|0,0,1]=3 643 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|2,0,0]=4 644 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|2,0,0]=4 645 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|2,0,0]=4 646 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|2,0,0]=4 647 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|2,0,0]=4 648 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|2,0,0]=4 649 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|2,0,0]=4 650 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|2,0,0]=4 651 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|2,0,0]=4 652 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,1]=4 653 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,1]=4 654 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [2,0,0,0,0,0|2,0,0]=4 655 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [2,0,0,0,0,0|2,0,0]=4 656 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [2,0,0,0,0,0|1,0,1]=4 657 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [2,0,0,0,0,0|1,0,1]=4 658 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [2,0,0,0,0,0|1,0,1]=4 659 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [2,0,0,0,0,0|1,0,1]=4 660 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [2,0,0,0,0,0|1,0,1]=4 661 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [2,0,0,0,0,0|1,0,1]=4 662 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|1,0,1]=4 663 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|1,0,1]=4 664 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|1,0,1]=4 665 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [2,0,0,0,0,0|2,0,0]=4 666 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [2,0,0,0,0,0|2,0,0]=4 667 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [2,0,0,0,0,0|1,0,0]=3 668 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [2,0,0,0,0,0|1,0,0]=3 669 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [2,0,0,0,0,0|0,0,1]=3 670 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|1,0,1]=4 671 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|1,0,1]=4 672 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [2,0,0,0,0,0|1,0,1]=4 673 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|2,0,0]=4 674 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|2,0,0]=4 675 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|1,0,1]=4 676 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [2,0,0,0,0,0|1,0,0]=3 677 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|1,0,1]=4 678 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|1,0,1]=4 679 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|1,0,1]=4 680 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|1,0,1]=4 681 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 682 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 683 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,1]=4 684 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,1]=4 685 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,1]=4 686 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 687 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 688 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 689 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 690 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 691 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 692 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 693 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 694 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 695 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 696 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 697 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 698 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 699 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 700 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 701 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 702 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 703 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [2,0,0,0,0,0|1,0,1]=4 704 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [2,0,0,0,0,0|1,0,1]=4 705 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [2,0,0,0,0,0|1,0,1]=4 706 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|0,0,1]=3 707 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [2,0,0,0,0,0|1,0,1]=4 708 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [2,0,0,0,0,0|1,0,1]=4 709 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [2,0,0,0,0,0|1,0,1]=4 710 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [2,0,0,0,0,0|1,0,0]=3 711 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [2,0,0,0,0,0|1,0,0]=3 712 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [2,0,0,0,0,0|1,0,1]=4 713 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [2,0,0,0,0,0|1,0,1]=4 714 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [2,0,0,0,0,0|2,0,0]=4 715 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [2,0,0,0,0,0|2,0,0]=4 716 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [2,0,0,0,0,0|2,0,0]=4 717 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [2,0,0,0,0,0|1,0,1]=4 718 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [2,0,0,0,0,0|1,0,1]=4 719 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [2,0,0,0,0,0|1,0,1]=4 720 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [2,0,0,0,0,0|1,0,1]=4 721 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [2,0,0,0,0,0|2,0,0]=4 722 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [2,0,0,0,0,0|2,0,0]=4 723 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [2,0,0,0,0,0|2,0,0]=4 724 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [2,0,0,0,0,0|0,0,1]=3 725 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [2,0,0,0,0,0|0,0,1]=3 726 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [2,0,0,0,0,0|1,0,0]=3 727 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [2,0,0,0,0,0|1,0,0]=3 728 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [2,0,0,0,0,0|1,0,1]=4 729 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [2,0,0,0,0,0|1,0,1]=4 730 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [2,0,0,0,0,0|1,0,1]=4 731 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [2,0,0,0,0,0|1,0,1]=4 732 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|0,0,0]=2 733 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|0,0,0]=2 734 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|1,0,0]=3 735 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|1,0,0]=3 736 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|1,0,0]=3 737 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|2,0,0]=4 738 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|2,0,0]=4 739 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 740 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 741 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 742 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [2,0,0,0,0,0|2,0,0]=4 743 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [2,0,0,0,0,0|1,0,1]=4 744 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [2,0,0,0,0,0|1,0,1]=4 745 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [2,0,0,0,0,0|1,0,1]=4 746 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [2,0,0,0,0,0|1,0,1]=4 747 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [2,0,0,0,0,0|1,0,1]=4 748 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [2,0,0,0,0,0|1,0,1]=4 749 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [2,0,0,0,0,0|2,0,0]=4 750 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 751 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 752 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 753 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [2,0,0,0,0,0|2,0,0]=4 754 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [2,0,0,0,0,0|1,0,0]=3 755 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [2,0,0,0,0,0|1,0,0]=3 756 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [2,0,0,0,0,0|1,0,0]=3 757 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [2,0,0,0,0,0|2,0,0]=4 758 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [2,0,0,0,0,0|2,0,0]=4 759 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [2,0,0,0,0,0|2,0,0]=4 760 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [2,0,0,0,0,0|2,0,0]=4 761 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [2,0,0,0,0,0|2,0,0]=4 762 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|1,0,0]=3 763 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [2,0,0,0,0,0|2,0,0]=4 764 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [2,0,0,0,0,0|2,0,0]=4 765 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [2,0,0,0,0,0|2,0,0]=4 766 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [2,0,0,0,0,0|2,0,0]=4 767 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [2,0,0,0,0,0|2,0,0]=4 768 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [2,0,0,0,0,0|2,0,0]=4 769 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [2,0,0,0,0,0|1,0,1]=4 770 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 771 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 772 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [2,0,0,0,0,0|2,0,0]=4 773 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [2,0,0,0,0,0|2,0,0]=4 774 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [2,0,0,0,0,0|2,0,0]=4 775 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [2,0,0,0,0,0|2,0,0]=4 776 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [2,0,0,0,0,0|2,0,0]=4 777 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [2,0,0,0,0,0|2,0,0]=4 778 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [2,0,0,0,0,0|2,0,0]=4 779 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [2,0,0,0,0,0|2,0,0]=4 780 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [2,0,0,0,0,0|1,0,0]=3 781 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 782 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 783 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|1,0,0]=3 784 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [2,0,0,0,0,0|1,0,0]=3 785 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [2,0,0,0,0,0|1,0,1]=4 786 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [2,0,0,0,0,0|2,0,0]=4 787 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [2,0,0,0,0,0|1,0,1]=4 788 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100011220946_100000187820 [1,1,0,0,0,0|1,0,1]=4 789 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100134613110_100000184674 [1,1,0,0,0,0|1,0,1]=4 790 B8R0.5 C#CCC(=O)CC(=O)[O-] 1458a_100011220946_100020667443 [1,1,0,0,0,0|0,0,2]=4 791 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|2,0,0]=4 792 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [1,1,0,0,0,0|2,0,0]=4 793 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [1,1,0,0,0,0|2,0,0]=4 794 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [1,1,0,0,0,0|2,0,0]=4 795 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|2,0,0]=4 796 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|2,0,0]=4 797 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [1,1,0,0,0,0|2,0,0]=4 798 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [1,1,0,0,0,0|2,0,0]=4 799 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [1,1,0,0,0,0|2,0,0]=4 800 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [1,1,0,0,0,0|2,0,0]=4 801 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [1,1,0,0,0,0|1,0,1]=4 802 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [1,1,0,0,0,0|1,0,1]=4 803 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [1,1,0,0,0,0|0,0,2]=4 804 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [1,1,0,0,0,0|1,0,1]=4 805 B8R0.5 CC#CC(=O)CC(=O)[O-] 1458a_100000763181_100020667443 [1,1,0,0,0,0|0,0,2]=4 806 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [1,1,0,0,0,0|2,0,0]=4 807 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [1,1,0,0,0,0|2,0,0]=4 808 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|1,0,1]=4 809 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [1,1,0,0,0,0|1,0,1]=4 810 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [1,1,0,0,0,0|0,0,2]=4 811 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,0]=3 812 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,0]=3 813 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,0]=3 814 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,1]=3 815 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|1,0,1]=4 816 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|1,0,1]=4 817 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [1,1,0,0,0,0|1,0,1]=4 818 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|2,0,0]=4 819 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 820 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 821 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,0]=3 822 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [1,1,0,0,0,0|1,0,0]=3 823 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [1,1,0,0,0,0|1,0,0]=3 824 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,1,0,0,0,0|1,0,1]=4 825 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|1,0,0]=3 826 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|1,0,0]=3 827 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|1,0,0]=3 828 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 829 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 830 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 831 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [1,1,0,0,0,0|2,0,0]=4 832 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [1,1,0,0,0,0|2,0,0]=4 833 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [1,1,0,0,0,0|2,0,0]=4 834 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|0,0,2]=4 835 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [1,1,0,0,0,0|2,0,0]=4 836 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [1,1,0,0,0,0|1,0,0]=3 837 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [1,1,0,0,0,0|0,0,1]=3 838 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,1,0,0,0,0|1,0,1]=4 839 B8R0.5 COCC(=O)C[N+](=O)[O-] 1458a_100000210968_100000761209 [1,1,0,0,0,0|1,0,1]=4 840 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 841 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [1,1,0,0,0,0|1,0,0]=3 842 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [1,1,0,0,0,0|0,0,1]=3 843 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,1,0,0,0,0|1,0,1]=4 844 B8R0.5 CSCC(=O)C[N+](=O)[O-] 1458a_100000184570_100000761209 [1,1,0,0,0,0|1,0,1]=4 845 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [1,1,0,0,0,0|2,0,0]=4 846 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [1,1,0,0,0,0|2,0,0]=4 847 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 848 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,1,0,0,0,0|1,0,1]=4 849 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|1,0,1]=4 850 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100051588842_100000187820 [1,1,0,0,0,0|1,0,1]=4 851 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100134613110_100011214920 [1,1,0,0,0,0|1,0,1]=4 852 B8R0.5 N#CCC(=O)CC(=O)[O-] 1458a_100051588842_100020667443 [1,1,0,0,0,0|0,0,2]=4 853 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [1,1,0,0,0,0|1,0,0]=3 854 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [1,1,0,0,0,0|1,0,0]=3 855 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [1,1,0,0,0,0|1,0,0]=3 856 B8R0.5 O=C(CCO)C[N+](=O)[O-] 1458a_100011216618_100000761209 [1,1,0,0,0,0|1,0,1]=4 857 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [1,1,0,0,0,0|0,0,1]=3 858 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|0,0,2]=4 860 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [1,1,0,0,0,0|2,0,0]=4 861 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [1,1,0,0,0,0|2,0,0]=4 862 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [1,1,0,0,0,0|2,0,0]=4 863 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [1,1,0,0,0,0|1,0,1]=4 864 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [1,1,0,0,0,0|1,0,1]=4 865 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [1,1,0,0,0,0|1,0,0]=3 866 B8R0.19 C#CC(=O)CC(=O)NC 1458a_100000211873_100000183359 [1,1,0,0,0,0|2,0,0]=4 867 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [1,1,0,0,0,0|0,0,2]=4 868 B8R0.19 C=C(C#N)CC(=O)CC 1458a_100000210414_100000694840 [1,1,0,0,0,0|2,0,0]=4 869 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [1,1,0,0,0,0|1,0,0]=3 870 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [1,1,0,0,0,0|2,0,0]=4 871 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [1,1,0,0,0,0|0,0,2]=4 872 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|1,0,0]=3 873 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,1,0,0,0,0|0,0,0]=2 874 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,0]=3 875 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,0,0]=2 876 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,0,0]=2 877 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,1]=4 878 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,1]=4 879 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,1]=4 880 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,1]=4 881 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|0,0,2]=4 882 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 883 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 884 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 885 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,1]=4 886 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [1,1,0,0,0,0|1,0,0]=3 887 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|1,0,0]=3 888 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,1,0,0,0,0|1,0,0]=3 889 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|1,0,0]=3 890 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [1,1,0,0,0,0|1,0,1]=4 891 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [1,1,0,0,0,0|0,0,2]=4 892 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [1,1,0,0,0,0|2,0,0]=4 893 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [1,1,0,0,0,0|2,0,0]=4 894 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [1,1,0,0,0,0|2,0,0]=4 895 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [1,1,0,0,0,0|2,0,0]=4 896 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [1,1,0,0,0,0|2,0,0]=4 897 B8R0.23 C=C(F)CC(=O)C(C)F 1458a_100000062450_100009893438 [1,1,0,0,0,0|2,0,0]=4 898 B8R0.23 C=C(F)CC(=O)[C@@H](C)O 1458a_100000717761_100009893438 [1,1,0,0,0,0|2,0,0]=4 899 B8R0.23 C=C(F)CC(=O)[C@H](C)O 1458a_217856618621_100009893438 [1,1,0,0,0,0|2,0,0]=4 900 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|1,0,1]=4 901 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [1,1,0,0,0,0|1,0,0]=3 902 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [1,1,0,0,0,0|2,0,0]=4 903 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [1,1,0,0,0,0|1,0,0]=3 904 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [1,1,0,0,0,0|1,0,0]=3 905 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [1,1,0,0,0,0|0,0,1]=3 906 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [1,1,0,0,0,0|1,0,1]=4 907 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [1,1,0,0,0,0|1,0,1]=4 908 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [1,1,0,0,0,0|2,0,0]=4 909 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [1,1,0,0,0,0|1,0,0]=3 910 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [1,1,0,0,0,0|0,0,1]=3 911 B8R0.23 CC(F)C(=O)C[N+](=O)[O-] 1458a_100000062450_100000761209 [1,1,0,0,0,0|1,0,1]=4 912 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [1,1,0,0,0,0|1,0,1]=4 913 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [1,1,0,0,0,0|1,0,1]=4 914 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|1,0,1]=4 915 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|1,0,1]=4 916 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [1,1,0,0,0,0|2,0,0]=4 917 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [1,1,0,0,0,0|2,0,0]=4 918 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [1,1,0,0,0,0|1,0,0]=3 919 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [1,1,0,0,0,0|0,0,1]=3 920 B8R0.23 C[C@@H](O)C(=O)C[N+](=O)[O-] 1458a_100000717761_100000761209 [1,1,0,0,0,0|1,0,1]=4 921 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [1,1,0,0,0,0|1,0,0]=3 922 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [1,1,0,0,0,0|0,0,1]=3 923 B8R0.23 C[C@H](O)C(=O)C[N+](=O)[O-] 1458a_217856618621_100000761209 [1,1,0,0,0,0|1,0,1]=4 924 B8R0.23 NC(=O)CC(=O)C(O)O 1458a_100000233687_100000187820 [1,1,0,0,0,0|2,0,0]=4 925 B8R0.23 O=C([O-])CC(=O)C(O)O 1458a_100000233687_100020667443 [1,1,0,0,0,0|1,0,1]=4 926 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [1,1,0,0,0,0|1,0,1]=4 927 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [1,1,0,0,0,0|1,0,1]=4 928 B8R0.24 CCC(=O)CS(=O)(=O)N 1458a_100000210414_100000741382 [1,1,0,0,0,0|1,0,1]=4 929 B8R0.24 CCC(=O)CS(=O)(=O)[O-] 1458a_100000210414_100009817235 [1,1,0,0,0,0|1,0,1]=4 930 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [1,1,0,0,0,0|2,0,0]=4 931 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [1,1,0,0,0,0|2,0,0]=4 932 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|1,0,1]=4 933 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|1,0,1]=4 934 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|1,0,1]=4 935 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,1,0,0,0,0|1,0,1]=4 936 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [1,1,0,0,0,0|1,0,1]=4 937 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [1,1,0,0,0,0|1,0,1]=4 938 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [1,1,0,0,0,0|1,0,1]=4 939 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [1,1,0,0,0,0|1,0,1]=4 940 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [1,1,0,0,0,0|1,0,1]=4 941 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|1,0,1]=4 942 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|1,0,1]=4 943 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|1,0,1]=4 944 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|0,0,1]=3 945 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,1]=4 946 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 947 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 948 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 949 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|1,0,1]=4 950 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|1,0,1]=4 951 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|2,0,0]=4 952 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,1,0,0,0,0|2,0,0]=4 953 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|1,0,0]=3 954 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 955 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 956 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|2,0,0]=4 957 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [1,1,0,0,0,0|2,0,0]=4 958 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,1,0,0,0,0|2,0,0]=4 959 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 960 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 961 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,1,0,0,0,0|2,0,0]=4 962 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 963 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [1,1,0,0,0,0|2,0,0]=4 964 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|1,0,0]=3 965 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|1,0,0]=3 966 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|2,0,0]=4 967 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|2,0,0]=4 968 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|2,0,0]=4 969 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [1,1,0,0,0,0|2,0,0]=4 970 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [1,1,0,0,0,0|2,0,0]=4 971 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 972 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 973 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 974 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [1,1,0,0,0,0|2,0,0]=4 975 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [1,1,0,0,0,0|2,0,0]=4 976 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|1,0,0]=3 977 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|1,0,0]=3 978 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|1,0,1]=4 979 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|1,0,1]=4 980 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|1,0,1]=4 981 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|1,0,1]=4 982 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|1,0,1]=4 983 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|1,0,1]=4 984 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|1,0,1]=4 985 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [1,1,0,0,0,0|2,0,0]=4 986 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [1,1,0,0,0,0|2,0,0]=4 987 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [1,1,0,0,0,0|2,0,0]=4 988 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,1,0,0,0,0|1,0,1]=4 989 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|1,0,1]=4 990 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|1,0,1]=4 991 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|1,0,1]=4 992 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [1,1,0,0,0,0|1,0,1]=4 993 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,1,0,0,0,0|1,0,1]=4 994 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,1,0,0,0,0|2,0,0]=4 995 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [1,1,0,0,0,0|2,0,0]=4 996 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,1,0,0,0,0|2,0,0]=4 997 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [1,1,0,0,0,0|2,0,0]=4 998 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [1,1,0,0,0,0|2,0,0]=4 999 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [1,1,0,0,0,0|2,0,0]=4 1000 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [1,1,0,0,0,0|2,0,0]=4 1001 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,1,0,0,0,0|1,0,1]=4 1002 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [1,1,0,0,0,0|2,0,0]=4 1003 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,1,0,0,0,0|2,0,0]=4 1004 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,1,0,0,0,0|2,0,0]=4 1005 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [1,1,0,0,0,0|2,0,0]=4 1006 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [1,1,0,0,0,0|2,0,0]=4 1007 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [1,1,0,0,0,0|2,0,0]=4 1008 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [1,1,0,0,0,0|2,0,0]=4 1009 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [1,1,0,0,0,0|2,0,0]=4 1010 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [1,1,0,0,0,0|2,0,0]=4 1011 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|1,0,1]=4 1012 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|1,0,1]=4 1013 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,1]=4 1014 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,1]=4 1015 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,1]=4 1016 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|0,0,1]=3 1017 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|1,0,1]=4 1018 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|1,0,1]=4 1019 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|1,0,1]=4 1020 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,0,0,0,0|1,0,1]=4 1021 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,0,0,0,0|0,0,2]=4 1022 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,0,0,0,0|1,0,1]=4 1023 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,0,0,0,0|1,0,1]=4 1024 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|1,0,1]=4 1025 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|1,0,1]=4 1026 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,0,0,0,0|1,0,1]=4 1027 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,0,0,0,0|1,0,1]=4 1028 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|0,0,1]=3 1029 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,1]=4 1030 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|1,0,1]=4 1031 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|1,0,1]=4 1032 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|1,0,0]=3 1033 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [1,1,0,0,0,0|2,0,0]=4 1034 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [1,1,0,0,0,0|2,0,0]=4 1035 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [1,1,0,0,0,0|2,0,0]=4 1036 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [1,1,0,0,0,0|2,0,0]=4 1037 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [1,1,0,0,0,0|2,0,0]=4 1038 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|1,0,0]=3 1039 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [1,1,0,0,0,0|2,0,0]=4 1040 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [1,1,0,0,0,0|2,0,0]=4 1041 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [1,1,0,0,0,0|2,0,0]=4 1042 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [1,1,0,0,0,0|2,0,0]=4 1043 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [1,1,0,0,0,0|2,0,0]=4 1044 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [1,1,0,0,0,0|2,0,0]=4 1045 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [1,1,0,0,0,0|2,0,0]=4 1046 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [1,1,0,0,0,0|2,0,0]=4 1047 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [1,1,0,0,0,0|2,0,0]=4 1048 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [1,1,0,0,0,0|2,0,0]=4 1049 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,1,0,0,0,0|2,0,0]=4 1050 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,1,0,0,0,0|2,0,0]=4 1051 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [1,1,0,0,0,0|2,0,0]=4 1052 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [1,1,0,0,0,0|2,0,0]=4 1053 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [1,1,0,0,0,0|2,0,0]=4 1054 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [1,1,0,0,0,0|2,0,0]=4 1055 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [1,1,0,0,0,0|1,0,1]=4 1056 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,1,0,0,0,0|1,0,1]=4 1057 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|1,0,0]=3 1058 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|1,0,0]=3 1059 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [1,1,0,0,0,0|1,0,1]=4 1060 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [1,1,0,0,0,0|1,0,1]=4 1061 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [1,1,0,0,0,0|1,0,1]=4 1062 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [1,1,0,0,0,0|2,0,0]=4 1063 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [1,1,0,0,0,0|1,0,1]=4 1064 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [1,1,0,0,0,0|1,0,1]=4 1065 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [1,1,0,0,0,0|2,0,0]=4 1066 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [1,1,0,0,0,0|2,0,0]=4 1067 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [1,1,0,0,0,0|2,0,0]=4 1068 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [1,1,0,0,0,0|2,0,0]=4 1069 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [1,1,0,0,0,0|2,0,0]=4 1070 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [1,1,0,0,0,0|2,0,0]=4 1071 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [1,1,0,0,0,0|2,0,0]=4 1072 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [1,1,0,0,0,0|2,0,0]=4 1073 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [1,1,0,0,0,0|2,0,0]=4 1074 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [1,1,0,0,0,0|2,0,0]=4 1075 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [1,1,0,0,0,0|2,0,0]=4 1076 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [1,1,0,0,0,0|2,0,0]=4 1077 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [1,1,0,0,0,0|2,0,0]=4 1078 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [1,1,0,0,0,0|2,0,0]=4 1079 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [1,1,0,0,0,0|1,0,1]=4 1080 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [1,1,0,0,0,0|2,0,0]=4 1081 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,1,0,0,0,0|1,0,1]=4 1082 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,0,0,0,0|1,0,1]=4 1083 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,0,0,0,0|1,0,1]=4 1084 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,0,0,0,0|1,0,1]=4 1085 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,0,0,0,0|1,0,1]=4 1086 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,0,0,0,0|1,0,1]=4 1087 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,0,0,0,0|1,0,1]=4 1088 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,0,0,0,0|1,0,1]=4 1089 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,0,0,0,0|1,0,1]=4 1090 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,0,0,0,0|1,0,1]=4 1091 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|0,0,1]=3 1092 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,0,0,0,0|1,0,1]=4 1093 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,0,0,0,0|1,0,1]=4 1094 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|0,0,1]=3 1095 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,1,0,0,0,0|2,0,0]=4 1096 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,1,0,0,0,0|2,0,0]=4 1097 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,1,0,0,0,0|2,0,0]=4 1098 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|1,0,0]=3 1099 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [1,1,0,0,0,0|2,0,0]=4 1100 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|2,0,0]=4 1101 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|1,0,0]=3 1102 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,1,0,0,0,0|2,0,0]=4 1103 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,1,0,0,0,0|2,0,0]=4 1104 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,1,0,0,0,0|2,0,0]=4 1105 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,1,0,0,0,0|2,0,0]=4 1106 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|1,0,1]=4 1107 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|1,0,1]=4 1108 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|1,0,1]=4 1109 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|1,0,1]=4 1110 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|1,0,1]=4 1111 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,0,0,0,0|1,0,1]=4 1112 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,1,0,0,0,0|2,0,0]=4 1113 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000079900_100000210202 [1,1,0,0,0,0|1,0,1]=4 1114 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000210414_100000038118 [1,1,0,0,0,0|1,0,1]=4 1115 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [1,1,0,0,0,0|1,0,0]=3 1116 B8R0.13 C=CC(C)(C)C(=O)CF 1458a_100012027013_100015361967 [1,1,0,0,0,0|2,0,0]=4 1117 B8R0.13 C=CC(C)(C)C(=O)NC 11a_106832991635_100012027013 [1,1,0,0,0,0|2,0,0]=4 1118 B8R0.13 C=CC(C)(C)C(=O)NC 1626a_100102657272_100012027013 [1,1,0,0,0,0|2,0,0]=4 1119 B8R0.13 C=CC(C)(C)C(=O)NC 240690a_100102657272_100012027013 [1,1,0,0,0,0|2,0,0]=4 1120 B8R0.13 C=CC(C)(C)C(=O)NC 527a_100102657272_100012027013 [1,1,0,0,0,0|2,0,0]=4 1121 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [1,1,0,0,0,0|1,0,1]=4 1122 B8R0.13 CCC(=O)C(C)(C)C#N 1458a_100000740761_100000210202 [1,1,0,0,0,0|1,0,1]=4 1123 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [1,1,0,0,0,0|1,0,1]=4 1124 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [1,1,0,0,0,0|1,0,1]=4 1125 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [1,1,0,0,0,0|0,0,1]=3 1126 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [1,1,0,0,0,0|2,0,0]=4 1127 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [1,1,0,0,0,0|1,0,1]=4 1128 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [1,1,0,0,0,0|1,0,1]=4 1129 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [1,1,0,0,0,0|1,0,1]=4 1130 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [1,1,0,0,0,0|1,0,1]=4 1131 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [1,1,0,0,0,0|1,0,1]=4 1132 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [1,1,0,0,0,0|1,0,1]=4 1133 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [1,1,0,0,0,0|1,0,1]=4 1134 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [1,1,0,0,0,0|1,0,1]=4 1135 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [1,1,0,0,0,0|1,0,1]=4 1136 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [1,1,0,0,0,0|1,0,1]=4 1137 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [1,1,0,0,0,0|1,0,1]=4 1138 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [1,1,0,0,0,0|2,0,0]=4 1139 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [1,1,0,0,0,0|1,0,0]=3 1140 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [1,1,0,0,0,0|1,0,1]=4 1141 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [1,1,0,0,0,0|1,0,0]=3 1142 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [1,1,0,0,0,0|1,0,0]=3 1143 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [1,1,0,0,0,0|1,0,0]=3 1144 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [1,1,0,0,0,0|1,0,0]=3 1145 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [1,1,0,0,0,0|1,0,0]=3 1146 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [1,1,0,0,0,0|1,0,1]=4 1147 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [1,1,0,0,0,0|1,0,1]=4 1148 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [1,1,0,0,0,0|1,0,1]=4 1149 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [1,1,0,0,0,0|1,0,1]=4 1150 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [1,1,0,0,0,0|1,0,1]=4 1151 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [1,1,0,0,0,0|1,0,0]=3 1152 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [1,1,0,0,0,0|1,0,0]=3 1153 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [1,1,0,0,0,0|1,0,1]=4 1154 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [1,1,0,0,0,0|0,0,2]=4 1155 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [1,1,0,0,0,0|1,0,0]=3 1156 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [1,1,0,0,0,0|2,0,0]=4 1157 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [1,1,0,0,0,0|2,0,0]=4 1158 B8R0.18 CNC(C(=O)N)C(=O)N 2230a_100000025885_200000210301 [1,1,0,0,0,0|2,0,0]=4 1159 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [1,1,0,0,0,0|0,0,2]=4 1160 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [1,1,0,0,0,0|1,0,1]=4 1161 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [1,1,0,0,0,0|1,0,0]=3 1162 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [1,1,0,0,0,0|1,0,0]=3 1163 B8R0.18 [13CH3]NC(C(=O)N)C(=O)N 2230a_100000025885_200025704644 [1,1,0,0,0,0|2,0,0]=4 1164 B8R0.37 C=C(Cl)C(C)(C)C(=O)C 1458a_100000049003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1165 B8R0.37 C=C(Cl)C(C)(C)C(=O)[13CH3] 1458a_100000049003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1166 B8R0.37 CC(=O)C(F)(F)C(=O)N 1458a_100000070787_100009811971 [1,1,0,0,0,0|2,0,0]=4 1167 B10R0.13 C=C(C)C(=O)C(C)OC(=O)C 1458a_100000185857_100009818208 [0,1,0,0,0,1|1,0,1]=4 1168 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 11a_100000697320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1169 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 240690a_100000697320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1170 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 527a_100000697320_100103153847 [0,1,0,0,0,1|2,0,0]=4 1171 B10R0.13 CC(=O)N[C@H](C)C(=O)C(C)C 1458a_100011504603_100000210206 [0,1,0,0,0,1|1,0,0]=3 1172 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 11a_100102631434_100011504603 [0,1,0,0,0,1|2,0,0]=4 1173 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 1626a_100102631434_100011504603 [0,1,0,0,0,1|2,0,0]=4 1174 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 240690a_100102631434_100011504603 [0,1,0,0,0,1|2,0,0]=4 1175 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 527a_100102631434_100011504603 [0,1,0,0,0,1|2,0,0]=4 1176 B10R0.13 CC(=O)OC(C)C(=O)C(C)C 1458a_100000210198_100009818208 [0,1,0,0,0,1|1,0,0]=3 1177 B10R0.13 CC(=O)OC(C)C(=O)C(C)F 1458a_100000062450_100009818208 [0,1,0,0,0,1|1,0,0]=3 1178 B10R0.13 CC(=O)OC(C)C(=O)C(O)O 1458a_100000233687_100009818208 [0,1,0,0,0,1|2,0,0]=4 1179 B10R0.13 CC(=O)OC(C)C(=O)[C@@H](C)O 1458a_100000717761_100009818208 [0,1,0,0,0,1|1,0,0]=3 1180 B10R0.13 CC(=O)OC(C)C(=O)[C@H](C)O 1458a_217856618621_100009818208 [0,1,0,0,0,1|1,0,0]=3 1181 B10R0.13 CC(=O)O[C@@H](C)C(=O)C(C)C 1458a_100009816467_100000210206 [0,1,0,0,0,1|1,0,0]=3 1182 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 11a_100102631434_100009816467 [0,1,0,0,0,1|2,0,0]=4 1183 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 1626a_100102631434_100009816467 [0,1,0,0,0,1|2,0,0]=4 1184 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 240690a_100102631434_100009816467 [0,1,0,0,0,1|2,0,0]=4 1185 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 527a_100102631434_100009816467 [0,1,0,0,0,1|2,0,0]=4 1186 B10R0.13 CC(C)C(=O)N(C)CC(=O)N 11a_100000739694_100000210198 [0,1,0,0,0,1|2,0,0]=4 1187 B10R0.13 CC(C)C(=O)N(C)CC(=O)N 527a_100000739694_100000210198 [0,1,0,0,0,1|2,0,0]=4 1188 B10R0.13 CC(F)C(=O)N(C)CC(=O)N 11a_100000739694_100000062450 [0,1,0,0,0,1|2,0,0]=4 1189 B10R0.13 CC(F)C(=O)N(C)CC(=O)N 527a_100000739694_100000062450 [0,1,0,0,0,1|2,0,0]=4 1190 B10R0.32 C#CCC(=O)C(C)OC(=O)C 1458a_100011220946_100009818208 [0,1,0,0,0,1|1,0,1]=4 1191 B10R0.32 C#CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000184674 [0,1,0,0,0,1|1,0,1]=4 1192 B10R0.32 C#CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000184674 [0,1,0,0,0,1|1,0,1]=4 1193 B10R0.32 C=CCC(=O)C(C)OC(=O)C 1458a_100000210193_100009818208 [0,1,0,0,0,1|1,0,1]=4 1194 B10R0.32 C=CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210623 [0,1,0,0,0,1|1,0,1]=4 1195 B10R0.32 C=CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210623 [0,1,0,0,0,1|1,0,1]=4 1196 B10R0.32 CC#CC(=O)C(C)OC(=O)C 1458a_100000763181_100009818208 [0,1,0,0,0,1|1,0,1]=4 1197 B10R0.32 CC(=O)N[C@H](C)C(=O)CC#N 1458a_100011504603_100011214920 [0,1,0,0,0,1|1,0,1]=4 1198 B10R0.32 CC(=O)N[C@H](C)C(=O)CCF 1458a_100011504603_100011217306 [0,1,0,0,0,1|1,0,0]=3 1199 B10R0.32 CC(=O)N[C@H](C)C(=O)CCO 1458a_100011504603_100000211926 [0,1,0,0,0,1|1,0,0]=3 1200 B10R0.32 CC(=O)OC(C)C(=O)CC#N 1458a_100051588842_100009818208 [0,1,0,0,0,1|1,0,1]=4 1201 B10R0.32 CC(=O)OC(C)C(=O)CCO 1458a_100011216618_100009818208 [0,1,0,0,0,1|1,0,0]=3 1202 B10R0.32 CC(=O)O[C@@H](C)C(=O)CC#N 1458a_100009816467_100011214920 [0,1,0,0,0,1|1,0,1]=4 1203 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCF 1458a_100009816467_100011217306 [0,1,0,0,0,1|1,0,0]=3 1204 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCO 1458a_100009816467_100000211926 [0,1,0,0,0,1|1,0,0]=3 1205 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,1,0,0,0,1|1,0,1]=4 1206 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,0,0,0,1|1,0,0]=3 1207 B10R0.32 CCCC(=O)N(C)CC(=O)N 11a_100000739694_100000211992 [0,1,0,0,0,1|2,0,0]=4 1208 B10R0.32 CCCC(=O)N(C)CC(=O)N 527a_100000739694_100000211992 [0,1,0,0,0,1|2,0,0]=4 1209 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,1,0,0,0,1|1,0,0]=3 1210 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,0,0,0,1|1,0,0]=3 1211 B10R0.32 CCNC(=O)C(C)NC(=O)C 11a_100000736553_100015343762 [0,1,0,0,0,1|1,0,0]=3 1212 B10R0.32 CCNC(=O)C(C)NC(=O)C 1626a_100000736553_100015343762 [0,1,0,0,0,1|1,0,0]=3 1213 B10R0.32 CCNC(=O)C(C)NC(=O)C 240690a_100000736553_100015343762 [0,1,0,0,0,1|1,0,0]=3 1214 B10R0.32 CCNC(=O)C(C)NC(=O)C 527a_100000736553_100103153847 [0,1,0,0,0,1|1,0,0]=3 1215 B10R0.32 CCNC(=O)N(C)CC(=O)N 2708a_100015525214_100000739694 [0,1,0,0,0,1|2,0,0]=4 1216 B10R0.32 CCNC(=O)N(C)CC(=O)N 273464a_100015525214_100000739694 [0,1,0,0,0,1|2,0,0]=4 1217 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 11a_100015525214_100011504603 [0,1,0,0,0,1|1,0,0]=3 1218 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 240690a_100015525214_100011504603 [0,1,0,0,0,1|1,0,0]=3 1219 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 527a_100015525214_100011504603 [0,1,0,0,0,1|1,0,0]=3 1220 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,1,0,0,0,1|1,0,0]=3 1221 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,1,0,0,0,1|1,0,0]=3 1222 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,1,0,0,0,1|1,0,0]=3 1223 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,1,0,0,0,1|1,0,0]=3 1224 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 11a_100103168634_100015343762 [0,1,0,0,0,1|1,0,0]=3 1225 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 1626a_100103168634_100015343762 [0,1,0,0,0,1|1,0,0]=3 1226 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 240690a_100103168634_100015343762 [0,1,0,0,0,1|1,0,0]=3 1227 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 527a_100103168634_100103153847 [0,1,0,0,0,1|1,0,0]=3 1228 B10R0.32 CN(CC(=O)O)C(=O)CN[13CH3] 269956a_100011216108_200025704644 [0,1,0,0,0,1|1,0,0]=3 1229 B10R0.32 CNCC(=O)N(C)CC(=O)O 269956a_100011216108_200000210301 [0,1,0,0,0,1|1,0,0]=3 1230 B10R0.32 CNNC(=O)[C@@H](C)NC(=O)C 22a_100016993582_100011504603 [0,1,0,0,0,1|2,0,0]=4 1231 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,1,0,0,0,1|1,0,0]=3 1232 B10R0.32 COCC(=O)N(C)CC(=O)N 11a_100000739694_100000210968 [0,1,0,0,0,1|2,0,0]=4 1233 B10R0.32 COCC(=O)N(C)CC(=O)N 527a_100000739694_100000210968 [0,1,0,0,0,1|2,0,0]=4 1234 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,1,0,0,0,1|1,0,0]=3 1235 B10R0.32 CSCC(=O)N(C)CC(=O)N 11a_100000739694_100000184570 [0,1,0,0,0,1|2,0,0]=4 1236 B10R0.32 CSCC(=O)N(C)CC(=O)N 527a_100000739694_100000184570 [0,1,0,0,0,1|2,0,0]=4 1237 B10R0.37 CCC(=O)[C@H](C)OS(=O)(=O)C 1458a_200015292407_100000210202 [0,1,0,0,0,1|1,0,1]=4 1238 B10R0.46 C=CC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_200121576911 [0,1,0,0,0,1|2,0,0]=4 1239 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,1,0,0,0,1|0,0,0]=2 1240 B10R0.46 CCC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000742827 [0,1,0,0,0,1|1,0,1]=4 1241 B10R0.46 CCC(=O)C(C)SC(C)CO 62a_100012180447_100000742827 [0,1,0,0,0,1|1,0,1]=4 1242 B10R0.46 CCC(=O)C(C)SC(C)OC 62a_100000742827_100009879195 [0,1,0,0,0,1|1,0,1]=4 1243 B10R0.46 CCC(=O)C(C)SC(C)OC 62a_100009879195_100000742827 [0,1,0,0,0,1|1,0,1]=4 1244 B10R0.46 CCC(=O)C(C)S[C@H](C)CO 62a_100000742827_100016084084 [0,1,0,0,0,1|1,0,1]=4 1245 B10R0.46 CCC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000742827 [0,1,0,0,0,1|1,0,1]=4 1246 B10R0.46 CCC(=O)N(C)CC(=O)NC 11a_100000189611_100000210414 [0,1,0,0,0,1|2,0,0]=4 1247 B10R0.46 CCC(=O)N(C)CC(=O)NC 240690a_100000189611_100000210414 [0,1,0,0,0,1|2,0,0]=4 1248 B10R0.46 CCC(=O)N(C)CC(=O)NC 527a_100000189611_100000210414 [0,1,0,0,0,1|2,0,0]=4 1249 B10R0.46 CCC(=O)N(C)CC(=O)OC 11a_100000198492_100000210414 [0,1,0,0,0,1|1,0,0]=3 1250 B10R0.46 CCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000210414 [0,1,0,0,0,1|1,0,0]=3 1251 B10R0.46 CCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000210414 [0,1,0,0,0,1|1,0,0]=3 1252 B10R0.46 CCC(=O)N(C)CC(=O)OC 527a_100000198492_100000210414 [0,1,0,0,0,1|1,0,0]=3 1253 B10R0.46 CCC(=O)NC(C)C(=O)CC 1458a_100000194823_100000210202 [0,1,0,0,0,1|1,0,0]=3 1254 B10R0.46 CCC(=O)NC(C)C(=O)CF 1458a_100000194823_100015361967 [0,1,0,0,0,1|2,0,0]=4 1255 B10R0.46 CCC(=O)NC(C)C(=O)NC 11a_106832991635_100000194823 [0,1,0,0,0,1|2,0,0]=4 1256 B10R0.46 CCC(=O)NC(C)C(=O)NC 1626a_100102657272_100000194823 [0,1,0,0,0,1|2,0,0]=4 1257 B10R0.46 CCC(=O)NC(C)C(=O)NC 240690a_100102657272_100000194823 [0,1,0,0,0,1|2,0,0]=4 1258 B10R0.46 CCC(=O)NC(C)C(=O)NC 527a_100102657272_100000194823 [0,1,0,0,0,1|2,0,0]=4 1259 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 11a_100000684985_100000210414 [0,1,0,0,0,1|2,0,0]=4 1260 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_100000210414 [0,1,0,0,0,1|2,0,0]=4 1261 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 527a_100000684985_100000210414 [0,1,0,0,0,1|2,0,0]=4 1262 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [0,1,0,0,0,1|2,0,0]=4 1263 B10R0.46 CCN(C)C(C)CC(=O)OC 2230a_100000225621_100009817358 [0,1,0,0,0,1|2,0,0]=4 1264 B10R0.46 CCN(C)C(C)CC(=O)OC 269982a_100000225621_100009817358 [0,1,0,0,0,1|2,0,0]=4 1265 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,1,0,0,0,1|1,0,0]=3 1266 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,1,0,0,0,1|1,0,0]=3 1267 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,1,0,0,0,1|1,0,0]=3 1268 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 2708a_100102657272_100000684985 [0,1,0,0,0,1|2,0,0]=4 1269 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 273464a_100000684985_100102657272 [0,1,0,0,0,1|2,0,0]=4 1270 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 512a_100000684985_100102657272 [0,1,0,0,0,1|2,0,0]=4 1271 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 512a_106832991638_100000684985 [0,1,0,0,0,1|2,0,0]=4 1272 B10R0.46 CNC(=O)[C@@H](C)NC(=O)CO 240690a_100000684985_100000210174 [0,1,0,0,0,1|1,0,0]=3 1273 B10R0.46 CNC(=O)[C@@H](C)NC(=O)CO 527a_100000684985_100000210174 [0,1,0,0,0,1|1,0,0]=3 1274 B10R0.46 COC(=O)CC(C)C(=O)CF 1458a_100000037256_100015361967 [0,1,0,0,0,1|1,0,0]=3 1275 B10R0.46 COC(=O)CN(C)C(=O)CO 240690a_100000198492_100000210174 [0,1,0,0,0,1|2,0,0]=4 1276 B10R0.46 COC(=O)CN(C)C(=O)CO 527a_100000198492_100000210174 [0,1,0,0,0,1|2,0,0]=4 1277 B10R0.46 COC(=O)[C@@H](C)NC(=O)CO 188690a_100000687819_100000210174 [0,1,0,0,0,1|1,0,0]=3 1278 B10R0.54 CC(=O)NC(CO)C(=O)CF 1458a_200011194110_100015361967 [0,1,0,0,0,1|2,0,0]=4 1279 B10R0.54 CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210202 [0,1,0,0,0,1|1,0,0]=3 1280 B10R0.54 CCC(=O)C(CC)NC(=O)N 1458a_100000203762_100000210202 [0,1,0,0,0,1|1,0,0]=3 1281 B10R0.54 CCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210202 [0,1,0,0,0,1|1,0,0]=3 1282 B10R0.54 CCC(NC(=O)C)C(=O)CF 1458a_100000195128_100015361967 [0,1,0,0,0,1|2,0,0]=4 1283 B10R0.54 CCC(NC(=O)C)C(=O)NC 11a_106832991635_100000195128 [0,1,0,0,0,1|2,0,0]=4 1284 B10R0.54 CCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000195128 [0,1,0,0,0,1|2,0,0]=4 1285 B10R0.54 CCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000195128 [0,1,0,0,0,1|2,0,0]=4 1286 B10R0.54 CCC(NC(=O)C)C(=O)NC 527a_100102657272_100000195128 [0,1,0,0,0,1|2,0,0]=4 1287 B10R0.54 CCC(NC(=O)N)C(=O)CF 1458a_100000203762_100015361967 [0,1,0,0,0,1|2,0,0]=4 1288 B10R0.54 CCC(NC(=O)N)C(=O)NC 240690a_100102657272_100000203762 [0,1,0,0,0,1|2,0,0]=4 1289 B10R0.54 CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020627782_100015343762 [0,1,0,0,0,1|2,0,0]=4 1290 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)NC 269956a_100020625877_200000210301 [0,1,0,0,0,1|1,0,1]=4 1291 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)N[13CH3] 269956a_100020625877_200025704644 [0,1,0,0,0,1|1,0,1]=4 1292 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 11a_106657271573_100015343762 [0,1,0,0,0,1|2,0,0]=4 1293 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 1626a_106657271573_100015343762 [0,1,0,0,0,1|2,0,0]=4 1294 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 240690a_106657271573_100015343762 [0,1,0,0,0,1|2,0,0]=4 1295 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 527a_106657271573_100103153847 [0,1,0,0,0,1|2,0,0]=4 1296 B10R0.54 CNC(=O)C(CO)NC(=O)C 240690a_100102657272_200011194110 [0,1,0,0,0,1|2,0,0]=4 1297 B10R0.54 COC(=O)[C@@H](CO)NC(=O)C 188690a_100000003586_100015343762 [0,1,0,0,0,1|2,0,0]=4 1298 B10R0.56 C=C(C)C(=O)C(C)C(=O)CC 1458a_100000185857_100000742827 [0,1,0,0,0,1|2,0,0]=4 1299 B10R0.56 CCC(=O)C(C)C(=O)C(O)O 1458a_100000233687_100000742827 [0,1,0,0,0,1|0,0,2]=4 1300 B10R0.56 CCC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000742827 [0,1,0,0,0,1|1,0,1]=4 1301 B10R0.56 CCC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000742827 [0,1,0,0,0,1|1,0,1]=4 1302 B10R0.56 COC(=O)C(C)N(C)C(=O)C 11a_100000725243_100015343762 [0,1,0,0,0,1|2,0,0]=4 1303 B10R0.56 COC(=O)C(C)N(C)C(=O)C 240690a_100000725243_100015343762 [0,1,0,0,0,1|2,0,0]=4 1304 B10R0.56 COC(=O)C(C)N(C)C(=O)C 527a_100000725243_100103153847 [0,1,0,0,0,1|2,0,0]=4 1305 B10R0.141 CC(=O)NC(C)(C)C(=O)CF 1458a_100000750020_100015361967 [0,1,0,0,0,1|2,0,0]=4 1306 B10R0.141 CC(=O)OC(C)(C)C(=O)CF 1458a_200000137501_100015361967 [0,1,0,0,0,1|2,0,0]=4 1307 B10R0.141 CCC(=O)C(C)(C)NC(=O)C 1458a_100000750020_100000210202 [0,1,0,0,0,1|1,0,0]=3 1308 B10R0.141 CCC(=O)C(C)(C)OC(=O)C 1458a_200000137501_100000210202 [0,1,0,0,0,1|1,0,0]=3 1309 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 11a_106832991635_100000750020 [0,1,0,0,0,1|2,0,0]=4 1310 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 240690a_100102657272_100000750020 [0,1,0,0,0,1|2,0,0]=4 1311 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 527a_100102657272_100000750020 [0,1,0,0,0,1|2,0,0]=4 1312 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 1626a_100102657272_200000137501 [0,1,0,0,0,1|2,0,0]=4 1313 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 240690a_100102657272_200000137501 [0,1,0,0,0,1|2,0,0]=4 1314 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 527a_100102657272_200000137501 [0,1,0,0,0,1|2,0,0]=4 1315 B10R0.141 COC(=O)C(C)(C)CC(=O)C 1458a_100000106591_200000210301 [0,1,0,0,0,1|2,0,0]=4 1316 B10R0.141 COC(=O)C(C)(C)CC(=O)[13CH3] 1458a_100000106591_200025704644 [0,1,0,0,0,1|2,0,0]=4 1317 B10R0.141 COC(=O)C(C)(C)NC(=O)C 188690a_100000737553_100015343762 [0,1,0,0,0,1|2,0,0]=4 1318 B10R0.26 C#CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100011220946 [0,1,0,0,0,1|1,0,1]=4 1319 B10R0.26 C=CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210193 [0,1,0,0,0,1|1,0,1]=4 1320 B10R0.26 C=CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210193 [0,1,0,0,0,1|1,0,1]=4 1321 B10R0.26 C=CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210193 [0,1,0,0,0,1|1,0,1]=4 1322 B10R0.26 CC(=O)N(C)CC(=O)CCF 1458a_100000194957_100011217306 [0,1,0,0,0,1|2,0,0]=4 1323 B10R0.26 CC(=O)N(C)CC(=O)CCO 1458a_100000194957_100000211926 [0,1,0,0,0,1|2,0,0]=4 1324 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,1,0,0,0,1|1,0,1]=4 1325 B10R0.26 CC=CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210699 [0,1,0,0,0,1|1,0,1]=4 1326 B10R0.26 CC=CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210699 [0,1,0,0,0,1|1,0,1]=4 1327 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,1,0,0,0,1|2,0,0]=4 1328 B10R0.26 CCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210303 [0,1,0,0,0,1|2,0,0]=4 1329 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,1,0,0,0,1|1,0,0]=3 1330 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,1,0,0,0,1|1,0,0]=3 1331 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211992 [0,1,0,0,0,1|1,0,0]=3 1332 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211992 [0,1,0,0,0,1|1,0,0]=3 1333 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211992 [0,1,0,0,0,1|1,0,0]=3 1334 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,1,0,0,0,1|1,0,1]=4 1335 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100000741943_100015343762 [0,1,0,0,0,1|2,0,0]=4 1336 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100015525214_100000194957 [0,1,0,0,0,1|2,0,0]=4 1337 B10R0.26 CCNC(=O)CN(C)C(=O)C 1626a_100000741943_100015343762 [0,1,0,0,0,1|2,0,0]=4 1338 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100000741943_100015343762 [0,1,0,0,0,1|2,0,0]=4 1339 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100015525214_100000194957 [0,1,0,0,0,1|2,0,0]=4 1340 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100000741943_100103153847 [0,1,0,0,0,1|2,0,0]=4 1341 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100015525214_100000194957 [0,1,0,0,0,1|2,0,0]=4 1342 B10R0.26 CCNC(=O)CN(C)C(=O)N 240690a_100015525214_100000218718 [0,1,0,0,0,1|2,0,0]=4 1343 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100015525214 [0,1,0,0,0,1|1,0,0]=3 1344 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 273464a_100015525214_100000119354 [0,1,0,0,0,1|1,0,0]=3 1345 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100015525214 [0,1,0,0,0,1|1,0,0]=3 1346 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 512a_100015525214_100000119354 [0,1,0,0,0,1|1,0,0]=3 1347 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,1|1,0,0]=3 1348 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,1|2,0,0]=4 1349 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,1|2,0,0]=4 1350 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,1|2,0,0]=4 1351 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,1|2,0,0]=4 1352 B10R0.26 CN(CC(=O)CCF)C(=O)N 1458a_100000218718_100011217306 [0,1,0,0,0,1|2,0,0]=4 1353 B10R0.26 CN(CC(=O)CCO)C(=O)N 1458a_100000218718_100000211926 [0,1,0,0,0,1|2,0,0]=4 1354 B10R0.26 CNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_200000210301 [0,1,0,0,0,1|0,0,0]=2 1355 B10R0.26 CNNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100016993582 [0,1,0,0,0,1|2,0,0]=4 1356 B10R0.26 CNNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100016993582 [0,1,0,0,0,1|2,0,0]=4 1357 B10R0.26 CNNC(=O)N[C@H](C)C(=O)N 512a_100016993582_100000119354 [0,1,0,0,0,1|2,0,0]=4 1358 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210968 [0,1,0,0,0,1|1,0,0]=3 1359 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210968 [0,1,0,0,0,1|1,0,0]=3 1360 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210968 [0,1,0,0,0,1|1,0,0]=3 1361 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,1,0,0,0,1|1,0,1]=4 1362 B10R0.26 CSCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000184570 [0,1,0,0,0,1|1,0,0]=3 1363 B10R0.26 CSCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000184570 [0,1,0,0,0,1|1,0,0]=3 1364 B10R0.26 CSCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000184570 [0,1,0,0,0,1|1,0,0]=3 1365 B10R0.26 C[C@@H](NC(=O)CC#N)C(=O)N 240690a_100000119354_100051588842 [0,1,0,0,0,1|1,0,1]=4 1366 B10R0.26 C[C@@H](NC(=O)CCO)C(=O)N 240690a_100000119354_100011216618 [0,1,0,0,0,1|1,0,0]=3 1367 B10R0.26 C[C@H](NC(=O)CN[13CH3])C(=O)O 269956a_100011417567_200025704644 [0,1,0,0,0,1|0,0,0]=2 1368 B10R0.47 CC(C)(NC(=O)CO)C(=O)N 240690a_100000743658_100000210174 [0,1,0,0,0,1|2,0,0]=4 1369 B10R0.47 CC(C)(NC(=O)CO)C(=O)N 527a_100000743658_100000210174 [0,1,0,0,0,1|2,0,0]=4 1370 B10R0.47 CCC(=O)NC(C)(C)C(=O)N 11a_100000743658_100000210414 [0,1,0,0,0,1|1,0,0]=3 1371 B10R0.47 CCC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100000210414 [0,1,0,0,0,1|1,0,0]=3 1372 B10R0.47 CCC(=O)NC(C)(C)C(=O)N 527a_100000743658_100000210414 [0,1,0,0,0,1|1,0,0]=3 1373 B10R0.47 CNC(=O)NC(C)(C)C(=O)N 273464a_100102657272_100000743658 [0,1,0,0,0,1|2,0,0]=4 1374 B10R0.47 CNC(=O)NC(C)(C)C(=O)N 512a_100000743658_100102657272 [0,1,0,0,0,1|2,0,0]=4 1375 B10R0.47 CNC(=O)NC(C)(C)C(=O)N 512a_106832991638_100000743658 [0,1,0,0,0,1|2,0,0]=4 1376 B10R0.47 COC(=O)CC(C)(C)C(=O)C 1458a_100000720384_200000210301 [0,1,0,0,0,1|2,0,0]=4 1377 B10R0.47 COC(=O)CC(C)(C)C(=O)[13CH3] 1458a_100000720384_200025704644 [0,1,0,0,0,1|2,0,0]=4 1378 B10R0.52 CCC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000210414 [0,1,0,0,0,1|1,0,1]=4 1379 B10R0.52 CCC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000210414 [0,1,0,0,0,1|1,0,1]=4 1380 B10R0.52 CCC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100000210414 [0,1,0,0,0,1|1,0,1]=4 1381 B10R0.52 CCC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100000210414 [0,1,0,0,0,1|1,0,1]=4 1382 B10R0.53 CCC(=O)NC(C#N)C(=O)N 1626a_100000039599_100000210414 [0,1,0,0,0,1|1,0,1]=4 1383 B10R0.53 CCC(=O)NC(CC)C(=O)N 11a_100000733705_100000210414 [0,1,0,0,0,1|1,0,0]=3 1384 B10R0.53 CCC(=O)NC(CC)C(=O)N 1626a_100000733705_100000210414 [0,1,0,0,0,1|1,0,0]=3 1385 B10R0.53 CCC(=O)NC(CC)C(=O)N 240690a_100000733705_100000210414 [0,1,0,0,0,1|1,0,0]=3 1386 B10R0.53 CCC(=O)NC(CC)C(=O)N 527a_100000733705_100000210414 [0,1,0,0,0,1|1,0,0]=3 1387 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000210414 [0,1,0,0,0,1|1,0,1]=4 1388 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000210414 [0,1,0,0,0,1|1,0,1]=4 1389 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000210414 [0,1,0,0,0,1|1,0,1]=4 1390 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 527a_100161114882_100000210414 [0,1,0,0,0,1|1,0,1]=4 1391 B10R0.53 CCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210414 [0,1,0,0,0,1|1,0,0]=3 1392 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000210414 [0,1,0,0,0,1|1,0,1]=4 1393 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000210414 [0,1,0,0,0,1|1,0,1]=4 1394 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,1,0,0,0,1|1,0,1]=4 1395 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,1,0,0,0,1|1,0,1]=4 1396 B10R0.53 CCC(NC(=O)CO)C(=O)N 240690a_100000733705_100000210174 [0,1,0,0,0,1|2,0,0]=4 1397 B10R0.53 CCC(NC(=O)CO)C(=O)N 527a_100000733705_100000210174 [0,1,0,0,0,1|2,0,0]=4 1398 B10R0.53 CCC(NC(=O)NC)C(=O)N 2708a_100102657272_100000733705 [0,1,0,0,0,1|2,0,0]=4 1399 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100000733705_100102657272 [0,1,0,0,0,1|2,0,0]=4 1400 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100102657272_100000733705 [0,1,0,0,0,1|2,0,0]=4 1401 B10R0.53 CCC(NC(=O)NC)C(=O)N 512a_100000733705_100102657272 [0,1,0,0,0,1|2,0,0]=4 1402 B10R0.53 CNC(=O)N[C@@H](CO)C(=O)N 273464a_100000729942_100102657272 [0,1,0,0,0,1|2,0,0]=4 1403 B10R0.53 CNC(=O)N[C@@H](CO)C(=O)N 273464a_100102657272_100000729942 [0,1,0,0,0,1|2,0,0]=4 1404 B10R0.53 NC(=O)[C@H](CO)NC(=O)CO 240690a_100000729942_100000210174 [0,1,0,0,0,1|2,0,0]=4 1405 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,1,0,0,0,1|1,0,1]=4 1406 B10R0.67 CCS(=O)(=O)N[C@H](C)C(=O)N 270084a_100000119354_100000211323 [0,1,0,0,0,1|2,0,0]=4 1407 B10R0.67 CCS(=O)(=O)N[C@H](C)C(=O)N 274078a_100000119354_100000211323 [0,1,0,0,0,1|2,0,0]=4 1408 B10R0.67 CCS(=O)(=O)N[C@H](C)C(=O)N 40a_100000119354_100000053943 [0,1,0,0,0,1|2,0,0]=4 1409 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,1,0,0,0,1|1,0,1]=4 1410 B10R0.93 C=C(C)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000185857 [0,1,0,0,0,1|1,0,1]=4 1411 B10R0.93 CC(=O)N(C)CC(=O)C(C)C 1458a_100000194957_100000210206 [0,1,0,0,0,1|2,0,0]=4 1412 B10R0.93 CC(C)C(=O)CN(C)C(=O)N 1458a_100000218718_100000210206 [0,1,0,0,0,1|2,0,0]=4 1413 B10R0.93 CC(C)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210198 [0,1,0,0,0,1|1,0,0]=3 1414 B10R0.93 CC(C)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210198 [0,1,0,0,0,1|1,0,0]=3 1415 B10R0.93 CC(C)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210198 [0,1,0,0,0,1|1,0,0]=3 1416 B10R0.93 CC(F)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000062450 [0,1,0,0,0,1|1,0,0]=3 1417 B10R0.93 CC(F)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000062450 [0,1,0,0,0,1|1,0,0]=3 1418 B10R0.93 CC(F)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000062450 [0,1,0,0,0,1|1,0,0]=3 1419 B10R0.93 C[C@@H](NC(=O)C(F)F)C(=O)N 11a_100000119354_100000210393 [0,1,0,0,0,1|2,0,0]=4 1420 B10R0.93 C[C@@H](NC(=O)C(F)F)C(=O)N 240690a_100000119354_100000210393 [0,1,0,0,0,1|2,0,0]=4 1421 B10R0.93 C[C@@H](NC(=O)C(F)F)C(=O)N 527a_100000119354_100000210393 [0,1,0,0,0,1|2,0,0]=4 1422 B10R0.93 C[C@@H](NC(=O)C(O)O)C(=O)N 240690a_100000119354_100000233687 [0,1,0,0,0,1|2,0,0]=4 1423 B10R0.93 C[C@@H](O)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000717761 [0,1,0,0,0,1|1,0,0]=3 1424 B10R0.93 C[C@H](O)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_217856618621 [0,1,0,0,0,1|1,0,0]=3 1425 B10R0.25 CC(C(=O)O)N(CF)CCO 269956a_100011300695_100015361967 [0,2,0,0,0,0|2,0,0]=4 1426 B10R0.25 CCN(CC=O)C(C)C(=O)N 2230a_100020603310_200015260668 [0,2,0,0,0,0|2,0,0]=4 1427 B10R0.25 CCN(CC=O)C(C)C(=O)N 269982a_100020603310_200015260668 [0,2,0,0,0,0|2,0,0]=4 1428 B10R0.25 CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210202 [0,2,0,0,0,0|1,0,1]=4 1429 B10R0.35 C#CC(=O)C(C)C(=O)NCC 1458a_100000211873_100000230173 [0,2,0,0,0,0|1,0,0]=3 1430 B10R0.35 C#CC(=O)C(C)C(=O)OCC 1458a_100000211873_100011216346 [0,2,0,0,0,0|1,0,0]=3 1431 B10R0.35 C#CC(=O)C(F)C(=O)OCC 1458a_100000211873_100000760018 [0,2,0,0,0,0|2,0,0]=4 1432 B10R0.35 C#CCC(=O)C(C)C(=O)CC 1458a_100011220946_100000742827 [0,2,0,0,0,0|1,0,0]=3 1433 B10R0.35 C#CCC(=O)C(C)C(=O)NC 1458a_100011220946_100000209862 [0,2,0,0,0,0|1,0,1]=4 1434 B10R0.35 C#CCC(=O)C(C)C(=O)OC 1458a_100011220946_100000211248 [0,2,0,0,0,0|0,0,1]=3 1435 B10R0.35 C#CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000184674 [0,2,0,0,0,0|0,0,1]=3 1436 B10R0.35 C=CC(=O)C(C)C(=O)NCC 1458a_100000185746_100000230173 [0,2,0,0,0,0|1,0,0]=3 1437 B10R0.35 C=CC(=O)C(C)C(=O)OCC 1458a_100000185746_100011216346 [0,2,0,0,0,0|1,0,0]=3 1438 B10R0.35 C=CC(=O)C(F)C(=O)OCC 1458a_100000185746_100000760018 [0,2,0,0,0,0|2,0,0]=4 1439 B10R0.35 C=CCC(=O)C(C)C(=O)CC 1458a_100000210193_100000742827 [0,2,0,0,0,0|1,0,0]=3 1440 B10R0.35 C=CCC(=O)C(C)C(=O)NC 1458a_100000210193_100000209862 [0,2,0,0,0,0|1,0,1]=4 1441 B10R0.35 C=CCC(=O)C(C)C(=O)OC 1458a_100000210193_100000211248 [0,2,0,0,0,0|0,0,1]=3 1442 B10R0.35 C=CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210623 [0,2,0,0,0,0|0,0,1]=3 1443 B10R0.35 CC#CC(=O)C(C)C(=O)CC 1458a_100000763181_100000742827 [0,2,0,0,0,0|1,0,0]=3 1444 B10R0.35 CC#CC(=O)C(C)C(=O)NC 1458a_100000763181_100000209862 [0,2,0,0,0,0|1,0,1]=4 1445 B10R0.35 CC#CC(=O)C(C)C(=O)OC 1458a_100000763181_100000211248 [0,2,0,0,0,0|0,0,1]=3 1446 B10R0.35 CC=CC(=O)C(C)C(=O)CC 1458a_100000210699_100000742827 [0,2,0,0,0,0|1,0,0]=3 1447 B10R0.35 CC=CC(=O)C(C)C(=O)NC 1458a_100000210699_100000209862 [0,2,0,0,0,0|1,0,1]=4 1448 B10R0.35 CC=CC(=O)C(C)C(=O)OC 1458a_100000210699_100000211248 [0,2,0,0,0,0|0,0,1]=3 1449 B10R0.35 CCC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000742827 [0,2,0,0,0,0|1,0,0]=3 1450 B10R0.35 CCC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000742827 [0,2,0,0,0,0|1,0,0]=3 1451 B10R0.35 CCC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000742827 [0,2,0,0,0,0|1,0,0]=3 1452 B10R0.35 CCC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000742827 [0,2,0,0,0,0|1,0,0]=3 1453 B10R0.35 CCC(=O)C(C)C(=O)CCO 1458a_100011216618_100000742827 [0,2,0,0,0,0|0,0,0]=2 1454 B10R0.35 CCC(=O)C(C)C(=O)COC 1458a_100000210968_100000742827 [0,2,0,0,0,0|0,0,0]=2 1455 B10R0.35 CCC(=O)C(C)C(=O)CSC 1458a_100000184570_100000742827 [0,2,0,0,0,0|0,1,0]=3 1456 B10R0.35 CCC(=O)C(C)N(C)CCO 2230a_100000210263_100000742827 [0,2,0,0,0,0|2,0,0]=4 1457 B10R0.35 CCC(=O)C(C)N(C)CCO 269982a_100000210263_100000742827 [0,2,0,0,0,0|2,0,0]=4 1458 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,2,0,0,0,0|1,0,0]=3 1459 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [0,2,0,0,0,0|1,0,0]=3 1460 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|0,0,0]=2 1461 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|0,0,0]=2 1462 B10R0.35 CCCC(=O)C(F)C(=O)NC 1458a_100000211992_100009813575 [0,2,0,0,0,0|2,0,0]=4 1463 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 1464 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 1465 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 1466 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 1467 B10R0.35 CCN(C)C(C)C(=O)CCO 1458a_100011281945_100000211926 [0,2,0,0,0,0|2,0,0]=4 1468 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [0,2,0,0,0,0|1,0,0]=3 1469 B10R0.35 CCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000230173 [0,2,0,0,0,0|0,0,0]=2 1470 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [0,2,0,0,0,0|0,0,0]=2 1471 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [0,2,0,0,0,0|0,0,0]=2 1472 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [0,2,0,0,0,0|0,0,0]=2 1473 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,2,0,0,0,0|0,0,0]=2 1474 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,2,0,0,0,0|0,0,0]=2 1475 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [0,2,0,0,0,0|1,0,0]=3 1476 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [0,2,0,0,0,0|0,0,0]=2 1477 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,2,0,0,0,0|1,0,0]=3 1478 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,2,0,0,0,0|1,0,0]=3 1479 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,2,0,0,0,0|1,0,0]=3 1480 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,2,0,0,0,0|1,0,0]=3 1481 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,2,0,0,0,0|2,0,0]=4 1482 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,2,0,0,0,0|2,0,0]=4 1483 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,2,0,0,0,0|1,0,0]=3 1484 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [0,2,0,0,0,0|1,0,0]=3 1485 B10R0.35 CNC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000209862 [0,2,0,0,0,0|2,0,0]=4 1486 B10R0.35 CNC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000209862 [0,2,0,0,0,0|2,0,0]=4 1487 B10R0.35 CNC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000209862 [0,2,0,0,0,0|2,0,0]=4 1488 B10R0.35 CNC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000209862 [0,2,0,0,0,0|1,0,1]=4 1489 B10R0.35 CNC(=O)C(C)C(=O)CCO 1458a_100011216618_100000209862 [0,2,0,0,0,0|1,0,0]=3 1490 B10R0.35 CNC(=O)C(C)C(=O)COC 1458a_100000210968_100000209862 [0,2,0,0,0,0|1,0,0]=3 1491 B10R0.35 CNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000209862 [0,2,0,0,0,0|1,0,0]=3 1492 B10R0.35 CNC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813575 [0,2,0,0,0,0|2,0,0]=4 1493 B10R0.35 CNC(=O)C(F)C(=O)COC 1458a_100000210968_100009813575 [0,2,0,0,0,0|2,0,0]=4 1494 B10R0.35 CNC(=O)C(F)C(=O)CSC 1458a_100000184570_100009813575 [0,2,0,0,0,0|2,0,0]=4 1495 B10R0.35 CNNC(=O)C(C)C(=O)OC 22a_100016993582_100012027023 [0,2,0,0,0,0|1,0,0]=3 1496 B10R0.35 COC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000211248 [0,2,0,0,0,0|0,0,2]=4 1497 B10R0.35 COC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000211248 [0,2,0,0,0,0|0,0,2]=4 1498 B10R0.35 COC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000211248 [0,2,0,0,0,0|0,0,2]=4 1499 B10R0.35 COC(=O)C(C)C(=O)CC#N 1458a_100012027023_100011214920 [0,2,0,0,0,0|0,0,1]=3 1500 B10R0.35 COC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000211248 [0,2,0,0,0,0|0,0,1]=3 1501 B10R0.35 COC(=O)C(C)C(=O)CCF 1458a_100012027023_100011217306 [0,2,0,0,0,0|0,0,0]=2 1502 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [0,2,0,0,0,0|0,0,0]=2 1503 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [0,2,0,0,0,0|0,0,0]=2 1504 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [0,2,0,0,0,0|0,0,0]=2 1505 B10R0.35 COC(=O)C(C)N(C)CCF 2230a_100000725243_100011217306 [0,2,0,0,0,0|2,0,0]=4 1506 B10R0.35 COC(=O)C(C)N(C)CCF 269982a_100000725243_100011217306 [0,2,0,0,0,0|2,0,0]=4 1507 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 1508 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 1509 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 1510 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 1511 B10R0.35 COC(=O)C(C)N(C)CSC 2230a_100000725243_100011218213 [0,2,0,0,0,0|2,0,0]=4 1512 B10R0.35 COC(=O)C(C)N(C)CSC 269982a_100000725243_100011218213 [0,2,0,0,0,0|2,0,0]=4 1513 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [0,2,0,0,0,0|0,0,0]=2 1514 B10R0.35 COCN(C)C(C)C(=O)OC 2230a_100000725243_100000766300 [0,2,0,0,0,0|2,0,0]=4 1515 B10R0.35 COCN(C)C(C)C(=O)OC 269982a_100000725243_100000766300 [0,2,0,0,0,0|2,0,0]=4 1516 B10R0.36 C=C(Cl)C(C)(C)C(=O)CCC 1458a_100000049003_100000210303 [0,2,0,0,0,0|2,0,0]=4 1517 B10R0.36 C=C(Cl)C(C)(C)C(=O)CCF 1458a_100000049003_100011217306 [0,2,0,0,0,0|2,0,0]=4 1518 B10R0.36 C=C(Cl)C(C)(C)C(=O)CCO 1458a_100000049003_100000211926 [0,2,0,0,0,0|2,0,0]=4 1519 B10R0.36 C=C(Cl)C(C)(C)C(=O)NCC 11a_100015525214_100000049003 [0,2,0,0,0,0|2,0,0]=4 1520 B10R0.36 C=C(Cl)C(C)(C)C(=O)NCC 240690a_100015525214_100000049003 [0,2,0,0,0,0|2,0,0]=4 1521 B10R0.36 C=C(Cl)C(C)(C)C(=O)NCC 527a_100015525214_100000049003 [0,2,0,0,0,0|2,0,0]=4 1522 B10R0.36 CCCC(=O)C(F)(F)C(=O)N 1458a_100000211992_100009811971 [0,2,0,0,0,0|2,0,0]=4 1523 B10R0.36 CCOC(=O)C(C)(C)C(=O)C 1458a_100000694683_200000210301 [0,2,0,0,0,0|1,0,0]=3 1524 B10R0.36 CCOC(=O)C(C)(C)C(=O)[13CH3] 1458a_100000694683_200025704644 [0,2,0,0,0,0|1,0,0]=3 1525 B10R0.36 CCOC(=O)C(C)(O)C(=O)C 1458a_200009913003_200000210301 [0,2,0,0,0,0|1,0,0]=3 1526 B10R0.36 CCOC(=O)C(C)(O)C(=O)[13CH3] 1458a_200009913003_200025704644 [0,2,0,0,0,0|1,0,0]=3 1527 B10R0.36 COCC(=O)C(F)(F)C(=O)N 1458a_100000210968_100009811971 [0,2,0,0,0,0|2,0,0]=4 1528 B10R0.36 CSCC(=O)C(F)(F)C(=O)N 1458a_100000184570_100009811971 [0,2,0,0,0,0|2,0,0]=4 1529 B10R0.36 NC(=O)C(F)(F)C(=O)CCO 1458a_100011216618_100009811971 [0,2,0,0,0,0|2,0,0]=4 1530 B10R0.81 C#CCCC(=O)C(C)C(=O)C 1458a_100000692101_100000179758 [0,2,0,0,0,0|1,0,0]=3 1531 B10R0.81 C#CCCC(=O)C(C)C(=O)N 1458a_100000692101_100000702099 [0,2,0,0,0,0|1,0,0]=3 1532 B10R0.81 C#CCCC(=O)C(F)C(=O)N 1458a_100000692101_100009813875 [0,2,0,0,0,0|2,0,0]=4 1533 B10R0.81 C#CCCC(=O)C(F)C(=O)[O-] 1458a_100000692101_100020610796 [0,2,0,0,0,0|1,0,1]=4 1534 B10R0.81 C#CCCN(C)C(C)C(=O)O 269956a_100000749554_100000688953 [0,2,0,0,0,0|2,0,0]=4 1535 B10R0.81 C#CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000735948 [0,2,0,0,0,0|1,0,1]=4 1536 B10R0.81 C/C=C/CN(C)C(C)C(=O)O 269956a_100000749554_100102629194 [0,2,0,0,0,0|2,0,0]=4 1537 B10R0.81 C=CCCC(=O)C(C)C(=O)C 1458a_100000749702_100000179758 [0,2,0,0,0,0|1,0,0]=3 1538 B10R0.81 C=CCCC(=O)C(C)C(=O)N 1458a_100000749702_100000702099 [0,2,0,0,0,0|1,0,0]=3 1539 B10R0.81 C=CCCC(=O)C(F)C(=O)N 1458a_100000749702_100009813875 [0,2,0,0,0,0|2,0,0]=4 1540 B10R0.81 C=CCCC(=O)C(F)C(=O)[O-] 1458a_100000749702_100020610796 [0,2,0,0,0,0|1,0,1]=4 1541 B10R0.81 C=CCCN(C)C(C)C(=O)O 269956a_100000749554_100000754431 [0,2,0,0,0,0|2,0,0]=4 1542 B10R0.81 C=CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230288 [0,2,0,0,0,0|1,0,1]=4 1543 B10R0.81 CC#CCN(C)C(C)C(=O)O 269956a_100000749554_100000748600 [0,2,0,0,0,0|2,0,0]=4 1544 B10R0.81 CC(=O)C(C)C(=O)C#CCO 1458a_100000049017_100000179758 [0,2,0,0,0,0|1,0,1]=4 1545 B10R0.81 CC(=O)C(C)C(=O)CCC#N 1458a_100011934036_100000179758 [0,2,0,0,0,0|1,0,0]=3 1546 B10R0.81 CC(C(=O)N)C(=O)C#CCO 1458a_100000049017_100000702099 [0,2,0,0,0,0|1,0,1]=4 1547 B10R0.81 CC(C(=O)N)C(=O)CCC#N 1458a_100011934036_100000702099 [0,2,0,0,0,0|1,0,0]=3 1548 B10R0.81 CC(C(=O)O)N(C)CCC#N 269956a_100000749554_100011215226 [0,2,0,0,0,0|2,0,0]=4 1549 B10R0.81 CC(C(=O)O)N(C)CCC#N 269956a_100011782742_200000210301 [0,2,0,0,0,0|2,0,0]=4 1550 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,2,0,0,0,0|2,0,0]=4 1551 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,2,0,0,0,0|2,0,0]=4 1552 B10R0.81 CC(C(=O)O)N([13CH3])CCC#N 269956a_100011782742_200025704644 [0,2,0,0,0,0|2,0,0]=4 1553 B10R0.81 CC=CCC(=O)C(C)C(=O)C 1458a_100121576822_100000179758 [0,2,0,0,0,0|1,0,0]=3 1554 B10R0.81 CC=CCC(=O)C(C)C(=O)N 1458a_100121576822_100000702099 [0,2,0,0,0,0|1,0,0]=3 1555 B10R0.81 CC=CCC(=O)C(F)C(=O)N 1458a_100121576822_100009813875 [0,2,0,0,0,0|2,0,0]=4 1556 B10R0.81 CC=CCC(=O)C(F)C(=O)[O-] 1458a_100121576822_100020610796 [0,2,0,0,0,0|1,0,1]=4 1557 B10R0.81 CCC#CC(=O)C(C)C(=O)C 1458a_100011827653_100000179758 [0,2,0,0,0,0|1,0,0]=3 1558 B10R0.81 CCC#CC(=O)C(C)C(=O)N 1458a_100011827653_100000702099 [0,2,0,0,0,0|1,0,0]=3 1559 B10R0.81 CCC#CC(=O)C(F)C(=O)N 1458a_100011827653_100009813875 [0,2,0,0,0,0|2,0,0]=4 1560 B10R0.81 CCC#CC(=O)C(F)C(=O)[O-] 1458a_100011827653_100020610796 [0,2,0,0,0,0|1,0,1]=4 1561 B10R0.81 CCC=CC(=O)C(C)C(=O)C 1458a_100000212282_100000179758 [0,2,0,0,0,0|1,0,0]=3 1562 B10R0.81 CCC=CC(=O)C(C)C(=O)N 1458a_100000212282_100000702099 [0,2,0,0,0,0|1,0,0]=3 1563 B10R0.81 CCC=CC(=O)C(F)C(=O)N 1458a_100000212282_100009813875 [0,2,0,0,0,0|2,0,0]=4 1564 B10R0.81 CCC=CC(=O)C(F)C(=O)[O-] 1458a_100000212282_100020610796 [0,2,0,0,0,0|1,0,1]=4 1565 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,2,0,0,0,0|1,0,0]=3 1566 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,2,0,0,0,0|1,0,0]=3 1567 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,2,0,0,0,0|2,0,0]=4 1568 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,2,0,0,0,0|1,0,1]=4 1569 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,2,0,0,0,0|2,0,0]=4 1570 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,2,0,0,0,0|1,0,0]=3 1571 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|1,0,0]=3 1572 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,2,0,0,0,0|1,0,0]=3 1573 B10R0.81 CCOCC(=O)C(C)C(=O)N 1458a_100000211967_100000702099 [0,2,0,0,0,0|1,0,0]=3 1574 B10R0.81 CCOCC(=O)C(F)C(=O)N 1458a_100000211967_100009813875 [0,2,0,0,0,0|2,0,0]=4 1575 B10R0.81 CCOCC(=O)C(F)C(=O)[O-] 1458a_100000211967_100020610796 [0,2,0,0,0,0|1,0,1]=4 1576 B10R0.81 CCOCN(C)C(C)C(=O)O 269956a_100000749554_100000739092 [0,2,0,0,0,0|2,0,0]=4 1577 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,2,0,0,0,0|1,0,0]=3 1578 B10R0.81 CCSCC(=O)C(C)C(=O)N 1458a_100000230394_100000702099 [0,2,0,0,0,0|1,0,0]=3 1579 B10R0.81 CCSCC(=O)C(F)C(=O)N 1458a_100000230394_100009813875 [0,2,0,0,0,0|2,0,0]=4 1580 B10R0.81 CCSCC(=O)C(F)C(=O)[O-] 1458a_100000230394_100020610796 [0,2,0,0,0,0|1,0,1]=4 1581 B10R0.81 COC=CC(=O)C(C)C(=O)C 1458a_100016268678_100000179758 [0,2,0,0,0,0|1,0,1]=4 1582 B10R0.81 COC=CC(=O)C(C)C(=O)N 1458a_100016268678_100000702099 [0,2,0,0,0,0|1,0,1]=4 1583 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,2,0,0,0,0|1,0,0]=3 1584 B10R0.81 COCCC(=O)C(C)C(=O)N 1458a_100000749529_100000702099 [0,2,0,0,0,0|1,0,0]=3 1585 B10R0.81 COCCC(=O)C(F)C(=O)N 1458a_100000749529_100009813875 [0,2,0,0,0,0|2,0,0]=4 1586 B10R0.81 COCCC(=O)C(F)C(=O)[O-] 1458a_100000749529_100020610796 [0,2,0,0,0,0|1,0,1]=4 1587 B10R0.81 COCCN(C)C(C)C(=O)O 269956a_100000749554_100000233755 [0,2,0,0,0,0|2,0,0]=4 1588 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,2,0,0,0,0|1,0,0]=3 1589 B10R0.81 CSCCC(=O)C(C)C(=O)N 1458a_100000174002_100000702099 [0,2,0,0,0,0|1,0,0]=3 1590 B10R0.81 CSCCC(=O)C(F)C(=O)N 1458a_100000174002_100009813875 [0,2,0,0,0,0|2,0,0]=4 1591 B10R0.81 CSCCC(=O)C(F)C(=O)[O-] 1458a_100000174002_100020610796 [0,2,0,0,0,0|1,0,1]=4 1592 B10R0.81 CSCCN(C)C(C)C(=O)O 269956a_100000749554_100000212216 [0,2,0,0,0,0|2,0,0]=4 1593 B10R0.81 N#CCCC(=O)C(F)C(=O)N 1458a_100011934036_100009813875 [0,2,0,0,0,0|2,0,0]=4 1594 B10R0.81 N#CCCC(=O)C(F)C(=O)[O-] 1458a_100011934036_100020610796 [0,2,0,0,0,0|1,0,1]=4 1595 B10R0.101 C#CCC(=O)C(CC)C(=O)N 1458a_100011220946_100000750255 [0,2,0,0,0,0|1,0,1]=4 1596 B10R0.101 C=CCC(=O)C(CC)C(=O)N 1458a_100000210193_100000750255 [0,2,0,0,0,0|1,0,1]=4 1597 B10R0.101 CC#CC(=O)C(CC)C(=O)N 1458a_100000763181_100000750255 [0,2,0,0,0,0|1,0,1]=4 1598 B10R0.101 CC=CC(=O)C(CC)C(=O)N 1458a_100000210699_100000750255 [0,2,0,0,0,0|1,0,1]=4 1599 B10R0.101 CCC(C(=O)N)C(=O)CC#N 1458a_100051588842_100000750255 [0,2,0,0,0,0|1,0,1]=4 1600 B10R0.101 CCC(C(=O)N)C(=O)CCO 1458a_100011216618_100000750255 [0,2,0,0,0,0|1,0,0]=3 1601 B10R0.101 CCC(C(=O)N)C(=O)COC 1458a_100000210968_100000750255 [0,2,0,0,0,0|1,0,0]=3 1602 B10R0.101 CCC(C(=O)N)C(=O)CSC 1458a_100000184570_100000750255 [0,2,0,0,0,0|1,0,0]=3 1603 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [0,2,0,0,0,0|1,0,0]=3 1604 B10R0.101 CCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210207 [0,2,0,0,0,0|2,0,0]=4 1605 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,2,0,0,0,0|1,0,0]=3 1606 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [0,2,0,0,0,0|1,0,0]=3 1607 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,2,0,0,0,0|1,0,0]=3 1608 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [0,2,0,0,0,0|1,0,0]=3 1609 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [0,2,0,0,0,0|1,0,0]=3 1610 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [0,2,0,0,0,0|1,0,0]=3 1611 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [0,2,0,0,0,0|1,0,0]=3 1612 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [0,2,0,0,0,0|1,0,0]=3 1613 B10R0.101 CN(CCF)[C@@H](CO)C(=O)O 269956a_100015362447_100011217306 [0,2,0,0,0,0|2,0,0]=4 1614 B10R0.101 CN(CCO)[C@@H](CO)C(=O)O 269956a_100015362447_100000211926 [0,2,0,0,0,0|2,0,0]=4 1615 B10R0.101 COCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000766300 [0,2,0,0,0,0|2,0,0]=4 1616 B10R0.101 CSCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100011218213 [0,2,0,0,0,0|2,0,0]=4 1617 B10R0.39 CCC(=O)C(C)S(=O)(=O)CC 1458a_100011214461_100000210202 [0,2,0,0,0,0|1,0,1]=4 1618 B10R0.39 CCS(=O)(=O)C(C)C(=O)CF 1458a_100011214461_100015361967 [0,2,0,0,0,0|2,0,0]=4 1619 B10R0.39 CCS(=O)(=O)C(C)C(=O)NC 11a_106832991635_100011214461 [0,2,0,0,0,0|2,0,0]=4 1620 B10R0.39 CCS(=O)(=O)C(C)C(=O)NC 1626a_100102657272_100011214461 [0,2,0,0,0,0|2,0,0]=4 1621 B10R0.39 CCS(=O)(=O)C(C)C(=O)NC 240690a_100102657272_100011214461 [0,2,0,0,0,0|2,0,0]=4 1622 B10R0.39 CCS(=O)(=O)C(C)C(=O)NC 527a_100102657272_100011214461 [0,2,0,0,0,0|2,0,0]=4 1623 B10R0.154 CC(=O)C(C)C(=O)C(C)(C)C 1458a_100000070787_100009893019 [0,2,0,0,0,0|1,0,0]=3 1624 B10R0.154 CC(=O)C(C)C(=O)C(C)(C)C 1458a_106744555173_100000179758 [0,2,0,0,0,0|1,0,0]=3 1625 B10R0.154 CC(=O)C(C)C(=O)C(C)(C)F 1458a_100000765255_100000179758 [0,2,0,0,0,0|1,0,0]=3 1626 B10R0.154 CC(=O)C(C)C(=O)C(C)(C)O 1458a_100000242741_100000179758 [0,2,0,0,0,0|1,0,0]=3 1627 B10R0.154 CC(=O)C(C)C(=O)C(F)(F)F 1458a_100015355933_100000179758 [0,2,0,0,0,0|2,0,0]=4 1628 B10R0.154 CC(C(=O)N)C(=O)C(C)(C)C 1458a_106744555173_100000702099 [0,2,0,0,0,0|1,0,0]=3 1629 B10R0.154 CC(C(=O)N)C(=O)C(C)(C)F 1458a_100000765255_100000702099 [0,2,0,0,0,0|1,0,0]=3 1630 B10R0.154 CC(C(=O)N)C(=O)C(C)(C)O 1458a_100000242741_100000702099 [0,2,0,0,0,0|1,0,0]=3 1631 B10R0.154 CC(C(=O)N)C(=O)C(F)(F)F 1458a_100015355933_100000702099 [0,2,0,0,0,0|2,0,0]=4 1632 B10R0.154 CC(C(=O)O)N(C)C(C)(C)C 269956a_100000749554_100000211941 [0,2,0,0,0,0|2,0,0]=4 1633 B10R0.154 CC(C)(C)C(=O)C(F)C(=O)N 1458a_106744555173_100009813875 [0,2,0,0,0,0|2,0,0]=4 1634 B10R0.154 CC(C)(C)C(=O)C(F)C(=O)[O-] 1458a_106744555173_100020610796 [0,2,0,0,0,0|1,0,1]=4 1635 B10R0.154 CC(C)(F)C(=O)C(F)C(=O)N 1458a_100000765255_100009813875 [0,2,0,0,0,0|2,0,0]=4 1636 B10R0.154 CC(C)(F)C(=O)C(F)C(=O)[O-] 1458a_100000765255_100020610796 [0,2,0,0,0,0|1,0,1]=4 1637 B10R0.154 CC(C)(O)C(=O)C(F)C(=O)N 1458a_100000242741_100009813875 [0,2,0,0,0,0|2,0,0]=4 1638 B10R0.154 CC(C)(O)C(=O)C(F)C(=O)[O-] 1458a_100000242741_100020610796 [0,2,0,0,0,0|1,0,1]=4 1639 B10R0.38 CCN(CC)C(C)C(=O)OC 2230a_100000724800_100000211248 [0,2,0,0,0,0|2,0,0]=4 1640 B10R0.38 CCN(CC)C(C)C(=O)OC 269982a_100000724800_100000211248 [0,2,0,0,0,0|2,0,0]=4 1641 B10R0.51 C#CC(=O)C(CC)C(=O)OC 1458a_100000211873_100000235869 [0,2,0,0,0,0|0,0,2]=4 1642 B10R0.51 C#CC(=O)C(CO)C(=O)OC 1458a_100000211873_100012276630 [0,2,0,0,0,0|0,0,2]=4 1643 B10R0.51 C=CC(=O)C(CC)C(=O)OC 1458a_100000185746_100000235869 [0,2,0,0,0,0|0,0,2]=4 1644 B10R0.51 C=CC(=O)C(CO)C(=O)OC 1458a_100000185746_100012276630 [0,2,0,0,0,0|0,0,2]=4 1645 B10R0.51 CCC(=O)C(CC)C(=O)OC 1458a_100000210414_100000235869 [0,2,0,0,0,0|0,0,0]=2 1646 B10R0.51 CCC(=O)C(CO)C(=O)OC 1458a_100000210414_100012276630 [0,2,0,0,0,0|0,0,0]=2 1647 B10R0.51 CCC(=O)C(NC)C(=O)OC 7a_106832991635_100000056495 [0,2,0,0,0,0|0,0,0]=2 1648 B10R0.51 CCC(=O)C(SC)C(=O)OC 62a_100000056495_200000210301 [0,2,0,0,0,0|0,0,0]=2 1649 B10R0.51 CCC(=O)C(SC)C(=O)OC 62a_200000210301_100000056495 [0,2,0,0,0,0|0,0,0]=2 1650 B10R0.51 CCC(=O)C(S[13CH3])C(=O)OC 62a_100000056495_200025704644 [0,2,0,0,0,0|0,0,0]=2 1651 B10R0.51 CCC(=O)C(S[13CH3])C(=O)OC 62a_200025704644_100000056495 [0,2,0,0,0,0|0,0,0]=2 1652 B10R0.51 CCC(C(=O)CO)C(=O)OC 1458a_100000210174_100000235869 [0,2,0,0,0,0|1,0,0]=3 1653 B10R0.51 CCC(C(=O)OC)N(C)CC 2230a_100000225621_100000235869 [0,2,0,0,0,0|2,0,0]=4 1654 B10R0.51 CCC(C(=O)OC)N(C)CC 2230a_100000709176_100000210202 [0,2,0,0,0,0|2,0,0]=4 1655 B10R0.51 CCC(C(=O)OC)N(C)CC 269982a_100000225621_100000235869 [0,2,0,0,0,0|2,0,0]=4 1656 B10R0.51 CCC(C(=O)OC)N(C)CC 269982a_100000709176_100000204670 [0,2,0,0,0,0|2,0,0]=4 1657 B10R0.51 CNC(C(=O)OC)C(=O)OC 34a_100102657272_100000037946 [0,2,0,0,0,0|1,0,0]=3 1658 B10R0.51 COC(=O)C(CO)C(=O)CO 1458a_100000210174_100012276630 [0,2,0,0,0,0|1,0,0]=3 1659 B10R0.51 COC(=O)C(OC)C(=O)OC 34a_100138415774_100000037946 [0,2,0,0,0,0|1,0,0]=3 1660 B10R0.51 COC(=O)C(SC)C(=O)OC 62a_100000037946_200000210301 [0,2,0,0,0,0|1,0,0]=3 1661 B10R0.51 COC(=O)C(SC)C(=O)OC 62a_200000210301_100000037946 [0,2,0,0,0,0|1,0,0]=3 1662 B10R0.51 COC(=O)C(S[13CH3])C(=O)OC 62a_100000037946_200025704644 [0,2,0,0,0,0|1,0,0]=3 1663 B10R0.51 COC(=O)C(S[13CH3])C(=O)OC 62a_200025704644_100000037946 [0,2,0,0,0,0|1,0,0]=3 1664 B10R0.142 CCC(=O)C(C)(C)C(=O)OC 1458a_100012000394_100000210202 [0,2,0,0,0,0|0,0,0]=2 1665 B10R0.142 CCN(C)C(C)(C)C(=O)OC 2230a_100000225621_100000689032 [0,2,0,0,0,0|2,0,0]=4 1666 B10R0.142 CCN(C)C(C)(F)C(=O)OC 2230a_100000225621_200009867631 [0,2,0,0,0,0|2,0,0]=4 1667 B10R0.142 CNC(=O)C(C)(C)C(=O)OC 11a_106832991635_100012000394 [0,2,0,0,0,0|1,0,0]=3 1668 B10R0.142 CNC(=O)C(C)(C)C(=O)OC 1626a_100102657272_100012000394 [0,2,0,0,0,0|1,0,0]=3 1669 B10R0.142 CNC(=O)C(C)(C)C(=O)OC 240690a_100102657272_100012000394 [0,2,0,0,0,0|1,0,0]=3 1670 B10R0.142 CNC(=O)C(C)(C)C(=O)OC 527a_100102657272_100012000394 [0,2,0,0,0,0|1,0,0]=3 1671 B10R0.142 COC(=O)C(C)(C)C(=O)CF 1458a_100012000394_100015361967 [0,2,0,0,0,0|1,0,0]=3 1672 B10R0.117 C=C(Cl)C(C)(C)C(=O)C(C)C 1458a_100000049003_100000210206 [0,2,0,0,0,0|2,0,0]=4 1673 B10R0.117 CC(C)C(=O)C(F)(F)C(=O)N 1458a_100000210198_100009811971 [0,2,0,0,0,0|2,0,0]=4 1674 B10R0.117 CC(F)C(=O)C(F)(F)C(=O)N 1458a_100000062450_100009811971 [0,2,0,0,0,0|2,0,0]=4 1675 B10R0.117 C[C@@H](O)C(=O)C(F)(F)C(=O)N 1458a_100000717761_100009811971 [0,2,0,0,0,0|2,0,0]=4 1676 B10R0.117 C[C@H](O)C(=O)C(F)(F)C(=O)N 1458a_217856618621_100009811971 [0,2,0,0,0,0|2,0,0]=4 1677 B10R0.137 COC(=O)C(C)(OC)C(=O)C 34a_100000042598_200000210301 [0,2,0,0,0,0|2,0,0]=4 1678 B10R0.137 COC(=O)C(C)(O[13CH3])C(=O)C 34a_100000042598_200025704644 [0,2,0,0,0,0|2,0,0]=4 1679 B10R0.30 CCCC(C(=O)C)C(=O)OC 1458a_100000070787_200009843822 [0,2,0,0,0,0|2,0,0]=4 1680 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,2,0,0,0,0|1,0,1]=4 1681 B10R0.30 CCSC(C(=O)C)C(=O)NC 62a_100000210202_100000210987 [0,2,0,0,0,0|2,0,0]=4 1682 B10R0.30 CCSC(C(=O)C)C(=O)NC 62a_100000210987_100000210202 [0,2,0,0,0,0|2,0,0]=4 1683 B10R0.30 CCSC(C(=O)C)C(=O)OC 62a_100000210202_100011215331 [0,2,0,0,0,0|2,0,0]=4 1684 B10R0.30 CCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210202 [0,2,0,0,0,0|2,0,0]=4 1685 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [0,2,0,0,0,0|1,0,1]=4 1686 B10R0.30 CNC(=O)C(SCF)C(=O)C 62a_100000210987_100015361967 [0,2,0,0,0,0|2,0,0]=4 1687 B10R0.30 CNC(=O)C(SCF)C(=O)C 62a_100015361967_100000210987 [0,2,0,0,0,0|2,0,0]=4 1688 B10R0.30 COC(=O)C(SCF)C(=O)C 62a_100011215331_100015361967 [0,2,0,0,0,0|2,0,0]=4 1689 B10R0.30 COC(=O)C(SCF)C(=O)C 62a_100015361967_100011215331 [0,2,0,0,0,0|2,0,0]=4 1690 B10R0.30 COCC(C(=O)C)C(=O)OC 1458a_100000070787_100000717350 [0,2,0,0,0,0|2,0,0]=4 1691 B10R0.76 C=C(C)C(=O)C(CC)C(=O)N 1458a_100000185857_100000750255 [0,2,0,0,0,0|1,0,1]=4 1692 B10R0.76 CC(=O)C(S[13CH3])C(=O)N(C)C 62a_100000211001_200025704644 [0,2,0,0,0,0|2,0,0]=4 1693 B10R0.76 CC(=O)C(S[13CH3])C(=O)N(C)C 62a_200025704644_100000211001 [0,2,0,0,0,0|2,0,0]=4 1694 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,2,0,0,0,0|2,0,0]=4 1695 B10R0.76 CCC(C(=O)C)C(=O)N(C)C 1458a_100000070787_100011763435 [0,2,0,0,0,0|2,0,0]=4 1696 B10R0.76 CCC(C(=O)N)C(=O)C(C)C 1458a_100000210198_100000750255 [0,2,0,0,0,0|1,0,0]=3 1697 B10R0.76 CCC(C(=O)N)C(=O)C(C)F 1458a_100000062450_100000750255 [0,2,0,0,0,0|1,0,0]=3 1698 B10R0.76 CCC(C(=O)N)C(=O)C(O)O 1458a_100000233687_100000750255 [0,2,0,0,0,0|2,0,0]=4 1699 B10R0.76 CCC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000750255 [0,2,0,0,0,0|1,0,0]=3 1700 B10R0.76 CCC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000750255 [0,2,0,0,0,0|1,0,0]=3 1701 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 11a_100020603310_100015343762 [0,2,0,0,0,0|2,0,0]=4 1702 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 1626a_100020603310_100015343762 [0,2,0,0,0,0|2,0,0]=4 1703 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 240690a_100020603310_100015343762 [0,2,0,0,0,0|2,0,0]=4 1704 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 527a_100020603310_100103153847 [0,2,0,0,0,0|2,0,0]=4 1705 B10R0.76 CSC(C(=O)C)C(=O)N(C)C 62a_100000211001_200000210301 [0,2,0,0,0,0|2,0,0]=4 1706 B10R0.76 CSC(C(=O)C)C(=O)N(C)C 62a_200000210301_100000211001 [0,2,0,0,0,0|2,0,0]=4 1707 B10R0.118 CC(C)C(C(=O)N)C(=O)CO 1458a_100000210174_100000230017 [0,2,0,0,0,0|2,0,0]=4 1708 B10R0.118 CCC(=O)C(C(=O)N)C(C)C 1458a_100000210414_100000230017 [0,2,0,0,0,0|1,0,0]=3 1709 B10R0.118 CCC(C)C(C(=O)O)N(C)C 269956a_100000694001_200000210301 [0,2,0,0,0,0|1,0,1]=4 1710 B10R0.118 CCC(C)C(C(=O)O)N(C)[13CH3] 269956a_100000694001_200025704644 [0,2,0,0,0,0|1,0,1]=4 1711 B10R0.118 CCN(C)[C@H](C(=O)O)C(C)C 269956a_100015941355_100000210202 [0,2,0,0,0,0|2,0,0]=4 1712 B10R0.118 CNC(=O)C(C(=O)C)N(C)C 269982a_100102631434_100000210987 [0,2,0,0,0,0|2,0,0]=4 1713 B10R0.118 COC(=O)C(C(=O)C)C(C)C 1458a_100000070787_100000736125 [0,2,0,0,0,0|2,0,0]=4 1714 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 1715 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 1716 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|1,0,0]=3 1717 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|2,0,0]=4 1718 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|2,0,0]=4 1719 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,1]=4 1720 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,1]=4 1721 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|1,0,1]=4 1722 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,1]=4 1723 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,1]=4 1724 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 1725 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 1726 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|1,0,1]=4 1727 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,1]=4 1728 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 1729 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 1730 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|2,0,0]=4 1731 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|2,0,0]=4 1732 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|2,0,0]=4 1733 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|1,0,1]=4 1734 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|1,0,1]=4 1735 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [1,0,0,1,0,0|1,0,1]=4 1736 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [1,0,0,1,0,0|1,0,1]=4 1737 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 1738 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|2,0,0]=4 1739 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 1740 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|2,0,0]=4 1741 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|2,0,0]=4 1742 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|2,0,0]=4 1743 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|2,0,0]=4 1744 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|2,0,0]=4 1745 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|2,0,0]=4 1746 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|2,0,0]=4 1747 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|1,0,1]=4 1748 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|1,0,1]=4 1749 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|2,0,0]=4 1750 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|0,0,1]=3 1751 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|0,0,1]=3 1752 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|1,0,1]=4 1753 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|1,0,1]=4 1754 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|1,0,1]=4 1755 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|1,0,1]=4 1756 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [1,0,0,1,0,0|1,0,1]=4 1757 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [1,0,0,1,0,0|1,0,1]=4 1758 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [1,0,0,1,0,0|1,0,1]=4 1759 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,0,0,1,0,1|1,0,0]=3 1760 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,0,0,1,0,1|1,0,1]=4 1761 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,0,0,1,0,1|1,0,0]=3 1762 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,0,0,1,0,1|1,0,0]=3 1763 B10R1.14 CCC(=O)C1CSC(=N1)N 1458a_100000002200_100000210202 [0,0,0,1,0,1|1,1,0]=4 1764 B10R1.14 CCC(=O)N1CNC(=O)C1 11a_200000708111_100000210414 [0,0,0,1,0,1|2,0,0]=4 1765 B10R1.14 CCC(=O)N1CNC(=O)C1 1626a_200000708111_100000210414 [0,0,0,1,0,1|2,0,0]=4 1766 B10R1.14 CCC(=O)N1CNC(=O)C1 240690a_200000708111_100000210414 [0,0,0,1,0,1|2,0,0]=4 1767 B10R1.14 CCC(=O)N1CNC(=O)C1 527a_200000708111_100000210414 [0,0,0,1,0,1|2,0,0]=4 1768 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,0,0,1,0,1|1,0,0]=3 1769 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,0,0,1,0,1|0,1,0]=3 1770 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,0,0,1,0,1|2,0,0]=4 1771 B10R1.14 CNC(=O)C1CNC(=O)C1 11a_106832991635_100000747279 [0,0,0,1,0,1|2,0,0]=4 1772 B10R1.14 CNC(=O)C1CNC(=O)C1 1626a_100102657272_100000747279 [0,0,0,1,0,1|2,0,0]=4 1773 B10R1.14 CNC(=O)C1CNC(=O)C1 240690a_100102657272_100000747279 [0,0,0,1,0,1|2,0,0]=4 1774 B10R1.14 CNC(=O)C1CNC(=O)C1 527a_100102657272_100000747279 [0,0,0,1,0,1|2,0,0]=4 1775 B10R1.14 CNC(=O)C1CNC(=O)N1 11a_106832991635_100000033324 [0,0,0,1,0,1|2,0,0]=4 1776 B10R1.14 CNC(=O)C1CNC(=O)N1 240690a_100102657272_100000033324 [0,0,0,1,0,1|2,0,0]=4 1777 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,0,0,1,0,1|2,0,0]=4 1778 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 1779 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 1780 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 1781 B10R1.14 CNC(=O)[C@@H]1CSC(=O)N1 240690a_100102657272_100000735014 [0,0,0,1,0,1|1,1,0]=4 1782 B10R1.14 O=C1CC(CN1)C(=O)CF 1458a_100000747279_100015361967 [0,0,0,1,0,1|2,0,0]=4 1783 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,0,0,1,0,1|2,0,0]=4 1784 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,0,0,1,0,1|2,0,0]=4 1785 B10R1.14 O=C1NCC(N1)C(=O)CF 1458a_100000033324_100015361967 [0,0,0,1,0,1|2,0,0]=4 1786 B10R1.14 O=C1N[C@@H](CS1)C(=O)CF 1458a_100000735014_100015361967 [0,0,0,1,0,1|1,1,0]=4 1787 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,0,0,1,0,1|2,0,0]=4 1788 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,0,0,1,0,1|2,0,0]=4 1789 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,0,0,1,0,1|2,0,0]=4 1790 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,0,0,1,0,1|2,0,0]=4 1791 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,0,0,1,0,1|2,0,0]=4 1792 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,0,0,1,0,1|2,0,0]=4 1793 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,0,0,1,0,1|2,0,0]=4 1794 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,0,0,1,0,1|2,0,0]=4 1795 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,0,0,1,0,1|2,0,0]=4 1796 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,0,0,1,0,1|2,0,0]=4 1797 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,0,0,1,0,1|2,0,0]=4 1798 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,0,0,1,0,1|2,0,0]=4 1799 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,0,0,1,0,1|2,0,0]=4 1800 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,0,0,1,0,1|2,0,0]=4 1801 B10R1.408 COC(=O)C1CN1C(=O)C 240690a_200009830135_100015343762 [0,0,0,1,0,1|2,0,0]=4 1802 B10R1.413 CCC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_100000210202 [0,0,0,1,0,1|1,0,1]=4 1803 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,0,0,1,0,1|2,0,0]=4 1804 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,0,0,1,0,1|2,0,0]=4 1805 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,0,1|2,0,0]=4 1806 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,1,0,1|2,0,0]=4 1807 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,1|1,0,0]=3 1808 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,0,1|2,0,0]=4 1809 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,1,0,1|2,0,0]=4 1810 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,1|1,0,0]=3 1811 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,0,0,1,0,1|1,0,1]=4 1812 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210414 [0,0,0,1,0,1|1,0,1]=4 1813 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210414 [0,0,0,1,0,1|1,0,1]=4 1814 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210414 [0,0,0,1,0,1|1,0,1]=4 1815 B10R1.34 CN1C(=O)C[C@@H](C1=O)O[13CH3] 34a_200015776404_200025704644 [0,1,0,1,0,0|2,0,0]=4 1816 B10R1.34 CO[C@H]1CC(=O)N(C1=O)C 34a_200015776404_200000210301 [0,1,0,1,0,0|2,0,0]=4 1817 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,1,0,1,0,0|1,0,0]=3 1818 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,1,0,1,0,0|2,0,0]=4 1819 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|2,0,0]=4 1820 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,1,0,1,0,0|2,0,0]=4 1821 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|2,0,0]=4 1822 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|1,0,0]=3 1823 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,0]=3 1824 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,0]=3 1825 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,1,0,0|1,0,0]=3 1826 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|2,0,0]=4 1827 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,1,0,0|2,0,0]=4 1828 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,1,0,0|2,0,0]=4 1829 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,1,0,0|2,0,0]=4 1830 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,0]=3 1831 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|2,0,0]=4 1832 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,1,0,0|2,0,0]=4 1833 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,1,0,0|2,0,0]=4 1834 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,1,0,0|2,0,0]=4 1835 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|2,0,0]=4 1836 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,1,0,1,0,0|2,0,0]=4 1837 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,1,0,1,0,0|2,0,0]=4 1838 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,1,0,1,0,0|2,0,0]=4 1839 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,1,0,1,0,0|2,0,0]=4 1840 B10R1.139 C#CCC(=O)C1CCC1=O 1458a_100011220946_100009892977 [0,1,0,1,0,0|1,0,1]=4 1841 B10R1.139 C=CCC(=O)C1CCC1=O 1458a_100000210193_100009892977 [0,1,0,1,0,0|1,0,1]=4 1842 B10R1.139 CC#CC(=O)C1CCC1=O 1458a_100000763181_100009892977 [0,1,0,1,0,0|1,0,1]=4 1843 B10R1.139 CC=CC(=O)C1CCC1=O 1458a_100000210699_100009892977 [0,1,0,1,0,0|1,0,1]=4 1844 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|1,0,0]=3 1845 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,1,0,0|1,0,0]=3 1846 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [0,1,0,1,0,0|1,0,0]=3 1847 B10R1.139 N#CCC(=O)C1CCC1=O 1458a_100051588842_100009892977 [0,1,0,1,0,0|1,0,1]=4 1848 B10R1.139 O=C(CCO)C1CCC1=O 1458a_100011216618_100009892977 [0,1,0,1,0,0|1,0,0]=3 1849 B10R1.278 CC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000179758 [0,1,0,1,0,0|1,0,0]=3 1850 B10R1.278 CC(=O)C(C)C(=O)C1CO1 1458a_100000701028_100000179758 [0,1,0,1,0,0|1,0,0]=3 1851 B10R1.278 CC(C(=O)N)C(=O)C1CC1 1458a_100000210395_100000702099 [0,1,0,1,0,0|1,0,0]=3 1852 B10R1.278 CC(C(=O)N)C(=O)C1CO1 1458a_100000701028_100000702099 [0,1,0,1,0,0|1,0,0]=3 1853 B10R1.278 CC(C(=O)O)N(C)C1CC1 269956a_100000749554_100000211595 [0,1,0,1,0,0|2,0,0]=4 1854 B10R1.278 NC(=O)C(F)C(=O)C1CC1 1458a_100000210395_100009813875 [0,1,0,1,0,0|2,0,0]=4 1855 B10R1.278 NC(=O)C(F)C(=O)C1CO1 1458a_100000701028_100009813875 [0,1,0,1,0,0|2,0,0]=4 1856 B10R1.278 O=C([O-])C(F)C(=O)C1CC1 1458a_100000210395_100020610796 [0,1,0,1,0,0|1,0,1]=4 1857 B10R1.278 O=C([O-])C(F)C(=O)C1CO1 1458a_100000701028_100020610796 [0,1,0,1,0,0|1,0,1]=4 1858 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|2,0,0]=4 1859 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|2,0,0]=4 1860 B10R1.149 C#CC(=O)C1CCCC1=O 1458a_100000211873_100000211823 [0,1,0,1,0,0|1,0,0]=3 1861 B10R1.149 C#CC(=O)C1CCOC1=O 1458a_100000211873_100000211211 [0,1,0,1,0,0|0,0,2]=4 1862 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [0,1,0,1,0,0|1,0,0]=3 1863 B10R1.149 C=CC(=O)C1CCOC1=O 1458a_100000185746_100000211211 [0,1,0,1,0,0|0,0,2]=4 1864 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|1,0,0]=3 1865 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|0,0,0]=2 1866 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 1867 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 1868 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|2,0,0]=4 1869 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|2,0,0]=4 1870 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|2,0,0]=4 1871 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|2,0,0]=4 1872 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|0,0,0]=2 1873 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,1,0,1,0,0|1,0,0]=3 1874 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|2,0,0]=4 1875 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|2,0,0]=4 1876 B10R1.182 COC(=O)C(C)N1CCC1 269982a_100000754969_100000211248 [0,1,0,1,0,0|2,0,0]=4 1877 B10R1.425 CC(=O)C1(CC1)C(=O)CO 1458a_100000210174_100000086384 [0,1,0,1,0,0|2,0,0]=4 1878 B10R1.425 CCC(=O)C1(CC1)C(=O)C 1458a_100000210414_100000086384 [0,1,0,1,0,0|1,0,0]=3 1879 B10R1.425 CCC(=O)C1(CC1)C(=O)N 1458a_100000210414_100010760883 [0,1,0,1,0,0|1,0,0]=3 1880 B10R1.425 CCC(=O)C1(CC1)C(=O)N 1458a_100000751805_100000210202 [0,1,0,1,0,0|1,0,0]=3 1881 B10R1.425 CNC(=O)C1(CC1)C(=O)N 11a_106832991635_100000751805 [0,1,0,1,0,0|2,0,0]=4 1882 B10R1.425 CNC(=O)C1(CC1)C(=O)N 1626a_100102657272_100000751805 [0,1,0,1,0,0|2,0,0]=4 1883 B10R1.425 CNC(=O)C1(CC1)C(=O)N 240690a_100102657272_100000751805 [0,1,0,1,0,0|2,0,0]=4 1884 B10R1.425 CNC(=O)C1(CC1)C(=O)N 527a_100102657272_100000751805 [0,1,0,1,0,0|2,0,0]=4 1885 B10R1.425 COC(=O)C1(CC1)C(=O)C 1458a_100000062387_200000210301 [0,1,0,1,0,0|2,0,0]=4 1886 B10R1.425 COC(=O)C1(CC1)C(=O)C 1458a_100000070787_100000698272 [0,1,0,1,0,0|2,0,0]=4 1887 B10R1.425 COC(=O)C1(CC1)C(=O)[13CH3] 1458a_100000062387_200025704644 [0,1,0,1,0,0|2,0,0]=4 1888 B10R1.425 NC(=O)C1(CC1)C(=O)CF 1458a_100000751805_100015361967 [0,1,0,1,0,0|2,0,0]=4 1889 B10R1.425 NC(=O)C1(CC1)C(=O)CO 1458a_100000210174_100010760883 [0,1,0,1,0,0|2,0,0]=4 1890 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|2,0,0]=4 1891 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,1,0,1,0,0|2,0,0]=4 1892 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,1,0,1,0,0|1,1,0]=4 1893 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,1,0,1,0,0|2,0,0]=4 1894 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [0,1,0,1,0,0|1,0,1]=4 1895 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [0,1,0,1,0,0|1,0,1]=4 1896 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [0,1,0,1,0,0|1,0,0]=3 1897 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [0,1,0,1,0,0|1,0,0]=3 1898 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [0,1,0,1,0,0|1,0,0]=3 1899 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [0,1,0,1,0,0|1,0,0]=3 1900 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [0,1,0,1,0,0|1,0,0]=3 1901 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [0,1,0,1,0,0|1,0,0]=3 1902 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,1,0,1,0,0|2,0,0]=4 1903 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,0,0,0,0,1|2,0,0]=4 1904 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,0,0,0,0,1|2,0,0]=4 1905 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,0,0,0,0,1|2,0,0]=4 1906 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,0,0,0,0,1|2,0,0]=4 1907 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,0,0,0,0,1|2,0,0]=4 1908 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,0,0,0,0,1|2,0,0]=4 1909 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [1,0,0,0,0,1|2,0,0]=4 1910 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [1,0,0,0,0,1|2,0,0]=4 1911 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [1,0,0,0,0,1|2,0,0]=4 1912 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,0,0,0,0,1|2,0,0]=4 1913 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,0,0,0,0,1|2,0,0]=4 1914 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,0,0,0,0,1|1,0,0]=3 1915 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,0,0,0,0,1|1,0,1]=4 1916 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [1,0,0,0,0,1|1,0,1]=4 1917 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,0,0,0,0,1|1,0,0]=3 1918 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [1,0,0,0,0,1|1,0,0]=3 1919 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,0,0,0,0,1|1,0,0]=3 1920 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,0,0,0,0,1|1,0,0]=3 1921 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,0,0,0,0,1|1,0,0]=3 1922 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [1,0,0,0,0,1|1,0,0]=3 1923 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [1,0,0,0,0,1|1,0,0]=3 1924 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [1,0,0,0,0,1|1,0,0]=3 1925 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,0,0,0,0,1|1,0,0]=3 1926 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,0,0,0,0,1|1,0,1]=4 1927 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,0,0,0,0,1|1,0,1]=4 1928 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,0,0,0,0,1|1,0,1]=4 1929 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [1,0,0,0,0,1|2,0,0]=4 1930 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [1,0,0,0,0,1|2,0,0]=4 1931 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,0,0,0,0,1|1,0,1]=4 1932 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,0,0,0,0,1|2,0,0]=4 1933 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,0,0,0,0,1|2,0,0]=4 1934 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,0,0,0,0,1|2,0,0]=4 1935 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [1,0,0,0,0,1|2,0,0]=4 1936 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [1,0,0,0,0,1|2,0,0]=4 1937 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,0,0,0,0,1|2,0,0]=4 1938 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [1,0,0,0,0,1|2,0,0]=4 1939 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [1,0,0,0,0,1|2,0,0]=4 1940 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [1,0,0,0,0,1|2,0,0]=4 1941 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [1,0,0,0,0,1|2,0,0]=4 1942 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [1,0,0,0,0,1|2,0,0]=4 1943 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [1,0,0,0,0,1|2,0,0]=4 1944 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [1,0,0,0,0,1|2,0,0]=4 1945 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [1,0,0,0,0,1|2,0,0]=4 1946 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [1,0,0,0,0,1|2,0,0]=4 1947 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [1,0,0,0,0,1|2,0,0]=4 1948 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [1,0,0,0,0,1|2,0,0]=4 1949 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [1,0,0,0,0,1|2,0,0]=4 1950 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [1,0,0,0,0,1|2,0,0]=4 1951 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [1,0,0,0,0,1|2,0,0]=4 1952 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [1,0,0,0,0,1|2,0,0]=4 1953 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [1,0,0,0,0,1|2,0,0]=4 1954 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [1,0,0,0,0,1|2,0,0]=4 1955 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [1,0,0,0,0,1|2,0,0]=4 1956 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [1,0,0,0,0,1|2,0,0]=4 1957 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [1,0,0,0,0,1|2,0,0]=4 1958 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,0,0,0,1|2,0,0]=4 1959 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,0,0,0,1|2,0,0]=4 1960 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,0,0,0,0,1|2,0,0]=4 1961 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,0,0,0,0,1|2,0,0]=4 1962 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,0,0,0,0,1|2,0,0]=4 1963 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [1,0,0,0,0,1|2,0,0]=4 1964 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [1,0,0,0,0,1|2,0,0]=4 1965 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [1,0,0,0,0,1|2,0,0]=4 1966 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [1,0,0,0,0,1|2,0,0]=4 1967 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,0,0,0,0,2|1,0,0]=3 1968 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [0,0,0,0,0,2|2,0,0]=4 1969 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,0,0,0,0,2|2,0,0]=4 1970 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,0,0,0,0,2|2,0,0]=4 1971 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,0,0,0,0,2|2,0,0]=4 1972 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,0,0,0,0,2|2,0,0]=4 1973 B10R0.57 C=C(C)CSC(C)C(=O)CC 62a_100000742827_100000211660 [0,0,0,0,0,2|2,0,0]=4 1974 B10R0.57 C=C(C)CSC(C)C(=O)CC 62a_100000748629_100000742827 [0,0,0,0,0,2|2,0,0]=4 1975 B10R0.57 C=C(F)CSC(C)C(=O)CC 62a_100000042424_100000742827 [0,0,0,0,0,2|2,0,0]=4 1976 B10R0.57 C=C(F)CSC(C)C(=O)CC 62a_100000742827_100000042424 [0,0,0,0,0,2|2,0,0]=4 1977 B10R0.57 CC(=O)SC[C@@H](C)C(=O)CF 1458a_200015407212_100015361967 [0,0,0,0,0,2|2,0,0]=4 1978 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [0,0,0,0,0,2|1,0,0]=3 1979 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,0,0,0,0,2|0,0,0]=2 1980 B10R0.57 CCC(=O)C(C)NCC(C)O 2230a_100000210904_100000742827 [0,0,0,0,0,2|1,0,1]=4 1981 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000742827_100000747473 [0,0,0,0,0,2|1,0,0]=3 1982 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000747473_100000742827 [0,0,0,0,0,2|1,0,0]=3 1983 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100000742827_100020667443 [0,0,0,0,0,2|0,0,1]=3 1984 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000742827 [0,0,0,0,0,2|0,0,1]=3 1985 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100000742827_100011218427 [0,0,0,0,0,2|1,0,1]=4 1986 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100011218427_100000742827 [0,0,0,0,0,2|1,0,1]=4 1987 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100000742827_100009817552 [0,0,0,0,0,2|1,0,1]=4 1988 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000742827 [0,0,0,0,0,2|1,0,1]=4 1989 B10R0.57 CCC(=O)C(C)SC[N+](=O)[O-] 62a_100000742827_100000761209 [0,0,0,0,0,2|1,0,1]=4 1990 B10R0.57 CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210414 [0,0,0,0,0,2|2,0,0]=4 1991 B10R0.57 CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210414 [0,0,0,0,0,2|2,0,0]=4 1992 B10R0.57 CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210414 [0,0,0,0,0,2|2,0,0]=4 1993 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,0,0,0,0,2|1,0,0]=3 1994 B10R0.57 CNC(=O)C(C)CNC(=O)C 11a_100015187722_100015343762 [0,0,0,0,0,2|2,0,0]=4 1995 B10R0.57 CNC(=O)C(C)CNC(=O)C 240690a_100015187722_100015343762 [0,0,0,0,0,2|2,0,0]=4 1996 B10R0.57 CNC(=O)C(C)CNC(=O)C 527a_100015187722_100103153847 [0,0,0,0,0,2|2,0,0]=4 1997 B10R0.57 CNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000731044 [0,0,0,0,0,2|2,0,0]=4 1998 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [0,0,0,0,0,2|1,0,0]=3 1999 B10R0.57 CNC(=O)C(C)OCC(=O)C 34a_100000211253_100000731044 [0,0,0,0,0,2|2,0,0]=4 2000 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000209862_100000747473 [0,0,0,0,0,2|2,0,0]=4 2001 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000747473_100000731044 [0,0,0,0,0,2|2,0,0]=4 2002 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100000209862_100020667443 [0,0,0,0,0,2|1,0,1]=4 2003 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000731044 [0,0,0,0,0,2|1,0,1]=4 2004 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 2230a_100000684985_100000747473 [0,0,0,0,0,2|2,0,0]=4 2005 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 34a_100000684985_100000187820 [0,0,0,0,0,2|2,0,0]=4 2006 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)[O-] 34a_100000684985_100020667443 [0,0,0,0,0,2|1,0,1]=4 2007 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 11a_106832991635_200015407212 [0,0,0,0,0,2|2,0,0]=4 2008 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 1626a_100102657272_200015407212 [0,0,0,0,0,2|2,0,0]=4 2009 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 240690a_100102657272_200015407212 [0,0,0,0,0,2|2,0,0]=4 2010 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 527a_100102657272_200015407212 [0,0,0,0,0,2|2,0,0]=4 2011 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,0,0,0,0,2|2,0,0]=4 2012 B10R0.57 COC(=O)C(C)NCC(=O)N 2230a_100000711301_100000211248 [0,0,0,0,0,2|2,0,0]=4 2013 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,0,0,0,0,2|2,0,0]=4 2014 B10R0.57 COC(=O)C(C)OCC(=O)N 34a_100011215400_100000187820 [0,0,0,0,0,2|2,0,0]=4 2015 B10R0.57 COC(=O)C(C)OCC(=O)[O-] 34a_100011215400_100020667443 [0,0,0,0,0,2|1,0,1]=4 2016 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000211248_100000747473 [0,0,0,0,0,2|2,0,0]=4 2017 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000747473_100000211248 [0,0,0,0,0,2|2,0,0]=4 2018 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100000211248_100020667443 [0,0,0,0,0,2|1,0,1]=4 2019 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000211248 [0,0,0,0,0,2|1,0,1]=4 2020 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,0,0,0,0,2|2,0,0]=4 2021 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,0,0,0,0,2|0,0,0]=2 2022 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,0,0,0,0,2|1,0,0]=3 2023 B10R0.82 CCC(=O)COC(F)C(=O)N 34a_100000725409_100009813875 [0,0,0,0,0,2|2,0,0]=4 2024 B10R0.82 CCC(=O)COC(F)C(=O)[O-] 34a_100000725409_100020610796 [0,0,0,0,0,2|1,0,1]=4 2025 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,0,0,0,0,2|0,0,1]=3 2026 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,0,0,0,0,2|1,0,0]=3 2027 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,0,0,0,0,2|1,0,0]=3 2028 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,0,0,0,0,2|1,0,0]=3 2029 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,0,0,0,0,2|1,0,0]=3 2030 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,0,0,0,0,2|1,0,0]=3 2031 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100000747405_100009813875 [0,0,0,0,0,2|2,0,0]=4 2032 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100009813875_100000747405 [0,0,0,0,0,2|2,0,0]=4 2033 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100000747405_100020610796 [0,0,0,0,0,2|1,0,1]=4 2034 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747405 [0,0,0,0,0,2|1,0,1]=4 2035 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,0,0,0,0,2|1,0,1]=4 2036 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,0,0,0,0,2|1,0,1]=4 2037 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,0,0,0,0,2|0,0,2]=4 2038 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,0,0,0,0,2|1,0,1]=4 2039 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,0,0,0,0,2|2,0,0]=4 2040 B10R0.82 CNC(=O)CNC(C)C(=O)N 2230a_100000693194_100000702099 [0,0,0,0,0,2|2,0,0]=4 2041 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,0,0,0,0,2|1,0,0]=3 2042 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183359 [0,0,0,0,0,2|2,0,0]=4 2043 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183359 [0,0,0,0,0,2|2,0,0]=4 2044 B10R0.82 CNC(=O)COC(C)C(=O)C 34a_100000212229_100000183359 [0,0,0,0,0,2|2,0,0]=4 2045 B10R0.82 CNC(=O)COC(C)C(=O)N 34a_100000750040_100000702099 [0,0,0,0,0,2|2,0,0]=4 2046 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183359 [0,0,0,0,0,2|1,0,1]=4 2047 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183359 [0,0,0,0,0,2|2,0,0]=4 2048 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183359 [0,0,0,0,0,2|2,0,0]=4 2049 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100000183359_100009814033 [0,0,0,0,0,2|2,0,0]=4 2050 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183359 [0,0,0,0,0,2|2,0,0]=4 2051 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000183359_100000702099 [0,0,0,0,0,2|2,0,0]=4 2052 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183359 [0,0,0,0,0,2|2,0,0]=4 2053 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,0,0,0,0,2|1,0,0]=3 2054 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,0,0,0,0,2|2,0,0]=4 2055 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,0,0,0,0,2|2,0,0]=4 2056 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,0,0,0,0,2|2,0,0]=4 2057 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,0,0,0,0,2|1,0,1]=4 2058 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,0,0,0,0,2|2,0,0]=4 2059 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,0,0,0,0,2|2,0,0]=4 2060 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,0,0,0,0,2|2,0,0]=4 2061 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,0,0,0,0,2|2,0,0]=4 2062 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,0,0,0,0,2|2,0,0]=4 2063 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,0,0,0,0,2|2,0,0]=4