0 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,0,0|1,1,0]=2 7 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,0,0|1,1,0]=2 30 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,0,0,0|1,0,0]=1 32 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.11 CC(N[13CH3])C1CCCO1 2230a_100025754208_200025704644 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.11 CC(N[13CH3])C1CCCO1 34a_100025754208_200025704644 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,0,0,0|1,1,0]=3 64 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,0,0,0|1,1,0]=3 77 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,0,0,0|1,1,0]=3 78 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,0,0,0|1,1,0]=3 79 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,0,0,0|1,1,0]=3 80 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.11 CNC(C)C1CCCO1 2230a_100025754208_200000210301 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.11 CNC(C)C1CCCO1 34a_100025754208_200000210301 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,0,0,0|1,1,0]=3 97 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.35 CC(=O)C1CC(=NO1)C 1458a_100000763720_200000210301 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.35 CC1=NOC(C1)C(=O)[13CH3] 1458a_100000763720_200025704644 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,1,0,0,0,0|1,0,1]=3 127 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,0,0,0|1,0,2]=4 141 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,0,0,0|1,1,0]=3 145 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,0,0,0|1,0,2]=4 147 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,0,0,0|1,1,0]=3 150 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,0,1,0,0,0|2,0,1]=4 158 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,0,1,0,0,0|2,0,1]=4 159 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,0,1,0,0,0|2,0,1]=4 160 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,0,1,0,0,0|1,0,2]=4 161 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,0,1,0,0,0|1,0,2]=4 162 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,0,1,0,0,0|1,0,2]=4 163 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,0,1,0,0,0|1,0,2]=4 164 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,0,1,0,0,0|1,0,2]=4 165 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,0,1,0,0,0|0,0,3]=4 166 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,0,1,0,0,0|3,0,0]=4 167 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,0,1,0,0,0|3,0,0]=4 168 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,0,1,0,0,0|3,0,0]=4 169 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,0,1,0,0,0|2,0,0]=3 170 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,0,1,0,0,0|2,0,0]=3 171 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,0,1,0,0,0|3,0,0]=4 172 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,0,1,0,0,0|3,0,0]=4 173 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,0,1,0,0,0|3,0,0]=4 174 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,0,1,0,0,0|3,0,0]=4 175 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,1,0,0,0|2,1,0]=4 176 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,1,0,0,0|2,1,0]=4 177 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,0,1,0,0,0|3,0,0]=4 178 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,0,1,0,0,0|3,0,0]=4 179 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,0,1,0,0,0|3,0,0]=4 180 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,0,1,0,0,0|3,0,0]=4 181 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,0,1,0,0,0|3,0,0]=4 182 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,0,1,0,0,0|2,0,0]=3 184 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,0,1,0,0,0|3,0,0]=4 185 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,0,1,0,0,0|2,1,0]=4 189 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,0,1,0,0,0|2,1,0]=4 190 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,0,1,0,0,0|3,0,0]=4 191 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,0,1,0,0,0|3,0,0]=4 192 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,1,0,0,0|2,0,1]=4 193 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,1,0,0,0|2,0,1]=4 194 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,1,0,0,0|2,0,1]=4 195 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,1,0,0,0|1,0,2]=4 196 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,0,1,0,0,0|1,0,2]=4 197 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,0,1,0,0,0|1,0,2]=4 198 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,0,1,0,0,0|0,0,3]=4 199 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,0,1,0,0,0|1,0,2]=4 200 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,0,1,0,0,0|2,0,1]=4 201 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,0,1,0,0,0|2,0,1]=4 202 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,1,0,0,0|2,0,0]=3 203 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,1,0,0,0|1,0,0]=2 204 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,1,0,0,0|1,0,0]=2 205 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,1,0,0,0|3,0,0]=4 206 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,1,0,0,0|3,0,0]=4 207 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,1,0,0,0|3,0,0]=4 208 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,1,0,0,0|3,0,0]=4 210 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,1,0,0,0|3,0,0]=4 211 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,0,1,0,0,0|3,0,0]=4 212 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,0,1,0,0,0|3,0,0]=4 213 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,0,1,0,0,0|2,0,1]=4 214 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,1,0,0,0|2,0,0]=3 215 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,1,0,0,0|2,0,0]=3 216 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,1,0,0,0|2,0,0]=3 217 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 218 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 219 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 220 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,1,0,0,0|3,0,0]=4 221 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,1,0,0,0|2,0,0]=3 222 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,1,0,0,0|2,0,0]=3 223 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,0,1,0,0,0|3,0,0]=4 224 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,0,1,0,0,0|2,0,1]=4 225 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,0,1,0,0,0|2,0,1]=4 226 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,0,1,0,0,0|2,0,1]=4 227 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,0,1,0,0,0|2,0,1]=4 229 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,0,1,0,0,0|2,0,1]=4 230 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,0,1,0,0,0|2,0,1]=4 231 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,0,1,0,0,0|2,0,1]=4 232 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,1,0,0,0|2,0,1]=4 233 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,1,0,0,0|2,0,1]=4 234 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,1,0,0,0|2,0,1]=4 235 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,0,1,0,0,0|2,0,1]=4 236 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,1,0,0,0|2,0,1]=4 237 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,1,0,0,0|2,0,1]=4 238 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|2,0,1]=4 239 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|2,0,0]=3 241 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|2,0,0]=3 242 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|2,0,0]=3 243 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 244 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 245 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 246 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|3,0,0]=4 247 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,1,0,0,0|2,0,0]=3 248 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,1,0,0,0|1,0,0]=2 249 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,0,1,0,0,0|2,0,1]=4 250 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,0,1,0,0,0|2,0,1]=4 251 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|3,0,0]=4 252 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|1,0,0]=2 253 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|1,0,0]=2 254 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,1,0,0,0|1,0,0]=2 255 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|1,0,0]=2 256 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,1,0,0,0|0,0,1]=2 257 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,0,1,0,0,0|2,0,1]=4 258 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,0,1,0,0,0|2,0,1]=4 259 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,0,1,0,0,0|2,0,1]=4 260 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,0,1,0,0,0|2,0,1]=4 261 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,0,1,0,0,0|1,0,1]=3 262 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,0,1,0,0,0|2,0,1]=4 263 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,0,1,0,0,0|2,0,1]=4 264 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,0,1,0,0,0|2,0,1]=4 265 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,0,1,0,0,0|2,0,1]=4 266 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,0,1,0,0,0|1,0,1]=3 267 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,0,1,0,0,0|1,0,1]=3 268 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|1,1,0]=3 269 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|1,1,0]=3 270 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|1,1,0]=3 271 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|1,1,0]=3 272 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|0,1,1]=3 273 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|0,1,1]=3 274 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,0,1,0,0,0|1,1,1]=4 275 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,0,1,0,0,0|1,1,1]=4 276 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,0,1,0,0,0|1,1,1]=4 277 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,0,1,0,0,0|1,1,1]=4 278 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,0,1,0,0,0|1,1,1]=4 279 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,1,0,0,0|3,0,0]=4 280 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,1,0,0,0|1,0,0]=2 281 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,1,0,0,0|3,0,0]=4 282 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,1,0,0,0|3,0,0]=4 283 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,1,0,0,0|3,0,0]=4 284 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,1,0,0,0|3,0,0]=4 285 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,1,0,0,0|3,0,0]=4 286 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,1,0,0,0|3,0,0]=4 287 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,1,0,0,0|3,0,0]=4 288 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,1,0,0,0|3,0,0]=4 289 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,1,0,0,0|3,0,0]=4 290 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,1,0,0,0|3,0,0]=4 291 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,1,0,0,0|3,0,0]=4 292 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,1,0,0,0|3,0,0]=4 293 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,1,0,0,0|3,0,0]=4 294 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,1,0,0,0|3,0,0]=4 295 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,1,0,0,0|3,0,0]=4 296 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,0,1,0,0,0|3,0,0]=4 297 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,0,1,0,0,0|3,0,0]=4 298 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,0,1,0,0,0|3,0,0]=4 299 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,0,1,0,0,0|3,0,0]=4 300 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,0,1,0,0,0|3,0,0]=4 301 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,0,1,0,0,0|3,0,0]=4 302 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,1,0,0,0|3,0,0]=4 303 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,1,0,0,0|3,0,0]=4 304 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,1,0,0,0|3,0,0]=4 305 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,1,0,0,0|3,0,0]=4 306 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,1,0,0,0|3,0,0]=4 307 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,1,0,0,0|3,0,0]=4 308 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,1,0,0,0|3,0,0]=4 309 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,1,0,0,0|3,0,0]=4 310 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,1,0,0,0|3,0,0]=4 311 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,1,0,0,0|3,0,0]=4 312 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,1,0,0,0|3,0,0]=4 313 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,1,0,0,0|3,0,0]=4 314 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,1,0,0,0|3,0,0]=4 315 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,1,0,0,0|2,0,0]=3 316 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,1,0,0,0|2,1,0]=4 317 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,1,0,0,0|2,1,0]=4 318 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,1,0,0,0|1,1,1]=4 319 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,1,0,0,0|1,1,1]=4 320 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,1,0,0,0|3,0,0]=4 321 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,1,0,0,0|3,0,0]=4 322 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,1,0,0,0|3,0,0]=4 323 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,1,0,0,0|3,0,0]=4 324 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,1,0,0,0|3,0,0]=4 325 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,1,0,0,0|3,0,0]=4 326 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,1,0,0,0|3,0,0]=4 327 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,1,0,0,0|2,0,0]=3 328 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,1,0,0,0|2,0,0]=3 329 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,1,0,0,0|2,1,0]=4 330 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,1,0,0,0|2,1,0]=4 331 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,1,0,0,0|1,1,1]=4 332 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,1,0,0,0|1,1,1]=4 333 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,0,1,0,0,0|2,0,1]=4 334 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,0,1,0,0,0|2,0,1]=4 335 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,0,1,0,0,0|2,0,1]=4 336 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,0,1,0,0,0|2,0,1]=4 337 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,0,1,0,0,0|2,0,1]=4 338 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,0,1,0,0,0|2,0,1]=4 339 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,0,1,0,0,0|2,0,1]=4 340 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,1,0,0,0|3,0,0]=4 341 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,1,0,0,0|3,0,0]=4 342 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,1,0,0,0|3,0,0]=4 343 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,1,0,0,0|3,0,0]=4 344 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,1,0,0,0|3,0,0]=4 345 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,1,0,0,0|3,0,0]=4 346 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,1,0,0,0|2,0,0]=3 347 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,1,0,0,0|2,0,0]=3 348 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,1,0,0,0|2,0,0]=3 349 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,0,1,0,0,0|2,0,0]=3 350 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,1,0,0,0|2,1,0]=4 351 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,1,0,0,0|2,1,0]=4 352 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,1,0,0,0|2,0,0]=3 353 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,1,0,0,0|2,0,0]=3 354 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,1,0,0,0|2,0,0]=3 355 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,1,0,0,0|1,0,1]=3 356 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,0,1,0,0,0|2,0,1]=4 357 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,1,0,0,0|2,0,0]=3 358 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,1,0,0,0|1,0,0]=2 359 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,0,1,0,0,0|2,0,0]=3 360 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,1,0,0,0|2,0,1]=4 361 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,1,0,0,0|1,0,1]=3 362 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,0,1,0,0,0|1,0,1]=3 363 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,1,0,0,0|1,1,1]=4 364 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,1,0,0,0|1,1,1]=4 365 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,1,0,0,0|1,0,1]=3 366 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,1,0,0,0|1,0,1]=3 367 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,1,0,0,0|1,0,2]=4 368 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,0,1,0,0,0|2,0,1]=4 369 B7R0.4 O=[N+]([O-])COCCBr 34a_100000211926_100000761209 [0,0,1,0,0,0|2,0,1]=4 370 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,0,1,0,0,0|2,0,1]=4 371 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,0,1,0,0,0|2,0,1]=4 372 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,1,0,0,0|1,0,0]=2 373 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,1,0,0,0|2,0,0]=3 374 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,1,0,0,0|3,0,0]=4 375 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,1,0,0,0|3,0,0]=4 376 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,1,0,0,0|3,0,0]=4 377 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,1,0,0,0|3,0,0]=4 378 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,1,0,0,0|3,0,0]=4 379 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,1,0,0,0|3,0,0]=4 380 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,1,0,0,0|3,0,0]=4 381 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,1,0,0,0|2,0,0]=3 382 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,1,0,0,0|2,1,0]=4 383 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,1,0,0,0|2,1,0]=4 384 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,1,0,0,0|2,0,0]=3 385 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,0,1,0,0,0|2,1,0]=4 386 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,0,1,0,0,0|2,1,0]=4 387 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,1,0,0,0|2,0,1]=4 388 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,1,0,0,0|2,0,1]=4 389 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,1,0,0,0|2,0,0]=3 390 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,1,0,0,0|2,0,0]=3 391 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,1,0,0,0|2,0,0]=3 392 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 393 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 394 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 395 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,1,0,0,0|3,0,0]=4 396 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,1,0,0,0|1,0,0]=2 397 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,1,0,0,0|1,0,0]=2 398 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,1,0,0,0|2,0,0]=3 399 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,1,0,0,0|2,0,0]=3 400 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,0,1,0,0,0|3,0,0]=4 401 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,1,0,0,0|1,0,0]=2 402 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,1,0,0,0|2,0,0]=3 403 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,1,0,0,0|2,0,0]=3 404 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,1,0,0,0|1,0,0]=2 405 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,1,0,0,0|1,0,0]=2 406 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,1,0,0,0|1,0,0]=2 407 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,1,0,0,0|1,0,0]=2 408 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,0,1,0,0,0|2,0,1]=4 409 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,1,0,0,0|2,0,0]=3 410 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,1,0,0,0|1,0,1]=3 411 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,1,0,0,0|0,0,1]=2 412 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,1,0,0,0|1,0,0]=2 413 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,1,0,0,0|1,0,0]=2 414 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,1,0,0,0|1,1,0]=3 415 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,1,0,0,0|1,1,0]=3 416 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,1,0,0,0|1,1,0]=3 417 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,1,0,0,0|1,1,0]=3 418 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,1,0,0,0|1,1,0]=3 419 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,1,0,0,0|1,1,0]=3 420 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,0,1,0,0,0|2,1,0]=4 421 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,0,1,0,0,0|2,1,0]=4 422 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,0,1,0,0,0|1,1,1]=4 423 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,0,1,0,0,0|1,1,1]=4 424 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,1,0,0,0|2,0,0]=3 425 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,0,1,0,0,0|2,0,0]=3 426 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,1,0,0,0|3,0,0]=4 427 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,1,0,0,0|3,0,0]=4 428 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,1,0,0,0|3,0,0]=4 429 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,1,0,0,0|3,0,0]=4 430 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,1,0,0,0|3,0,0]=4 431 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,0,1,0,0,0|3,0,0]=4 432 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,1,0,0,0|3,0,0]=4 433 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,1,0,0,0|3,0,0]=4 434 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,0,1,0,0,0|3,0,0]=4 435 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,0,1,0,0,0|2,0,0]=3 436 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,0,1,0,0,0|2,0,0]=3 437 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,0,1,0,0,0|2,0,0]=3 438 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,0,1,0,0,0|1,0,1]=3 439 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,0,1,0,0,0|2,0,0]=3 440 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,0,1,0,0,0|3,0,0]=4 441 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,0,1,0,0,0|1,0,2]=4 442 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,0,1,0,0,0|1,0,2]=4 443 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,0,1,0,0,0|2,0,0]=3 444 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,0,1,0,0,0|2,0,0]=3 445 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,0,1,0,0,0|2,0,0]=3 446 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,0,1,0,0,0|2,0,0]=3 447 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,0,1,0,0,0|2,0,0]=3 448 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,0,1,0,0,0|2,0,0]=3 449 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,0,1,0,0,0|2,0,0]=3 450 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,0,1,0,0,0|2,0,0]=3 451 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,0,1,0,0,0|2,0,0]=3 452 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,0,1,0,0,0|2,0,0]=3 453 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,0,1,0,0,0|1,0,0]=2 454 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,0,1,0,0,0|1,0,0]=2 455 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,0,1,0,0,0|1,0,0]=2 456 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,0,1,0,0,0|2,0,1]=4 457 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,0,1,0,0,0|2,0,1]=4 458 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,0,1,0,0,0|2,0,1]=4 459 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,0,1,0,0,0|2,0,1]=4 460 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,0,1,0,0,0|1,1,0]=3 461 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,0,1,0,0,0|1,1,0]=3 462 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,0,1,0,0,0|1,1,0]=3 463 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,0,1,0,0,0|1,1,0]=3 464 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 465 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 466 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 467 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,0,1,0,0,0|3,0,0]=4 468 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,0,1,0,0,0|1,0,0]=2 469 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,0,1,0,0,0|1,0,0]=2 470 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,0,1,0,0,0|2,0,1]=4 471 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,0,1,0,0,0|2,0,1]=4 472 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,0,1,0,0,0|2,0,1]=4 473 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,0,1,0,0,0|2,0,1]=4 474 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,0,1,0,0,0|2,0,0]=3 475 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,0,1,0,0,0|3,0,0]=4 476 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,0,1,0,0,0|3,0,0]=4 477 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,0,1,0,0,0|2,0,0]=3 478 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,0,1,0,0,0|2,0,0]=3 479 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,0,1,0,0,0|2,0,0]=3 480 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,0,1,0,0,0|3,0,0]=4 481 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,0,1,0,0,0|3,0,0]=4 482 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,0,1,0|1,0,0]=2 483 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,0,1,0|1,0,0]=2 484 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,0,1,0|1,0,0]=2 485 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,0,1,0|2,0,0]=3 486 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,0,1,0|2,0,0]=3 487 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,0,1,0|2,0,0]=3 488 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,0,1,0|2,0,0]=3 489 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,0,1,0|2,0,0]=3 490 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,0,0,1,0|3,0,0]=4 491 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,0,0,1,0|3,0,0]=4 492 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,0,0,1,0|3,0,0]=4 493 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,0,0,1,0|3,0,0]=4 494 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,0,0,1,0|3,0,0]=4 495 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,0,0,1,0|3,0,0]=4 496 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,0,0,1,0|3,0,0]=4 497 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,0,0,1,0|3,0,0]=4 498 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,0,1,0|1,0,0]=2 499 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,0,1,0|1,0,0]=2 500 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,0,1,0|2,0,0]=3 501 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,1|2,0,1]=4 502 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,1|1,0,1]=3 503 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,1|1,0,1]=3 504 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,0,0,1|1,0,2]=4 505 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,1|2,0,0]=3 506 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,0,1|2,0,0]=3 507 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,0,1|2,0,0]=3 508 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,0,1|1,0,0]=2 509 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,0,1|1,0,0]=2 510 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,0,1|1,0,0]=2 511 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,0,0,1|2,0,0]=3 512 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,0,0,1|2,0,0]=3 513 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,0,0,1|2,0,0]=3 514 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,0,0,1|1,0,0]=2 515 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,0,0,1|1,1,0]=3 516 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,0,0,1|2,0,0]=3 517 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,0,0,1|2,0,0]=3 518 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 519 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 520 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 521 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,0,0,1|3,0,0]=4 522 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 523 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 524 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,0,0,1|3,0,0]=4 525 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,1|2,0,1]=4 526 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,0,0,0,0,1|3,0,0]=4 527 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,0,0,0,0,1|3,0,0]=4 528 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,1|2,0,1]=4 529 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,1|1,0,1]=3 530 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,1|1,0,1]=3 531 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,0,0,1|1,0,2]=4 532 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,0,1|2,0,0]=3 533 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,0,1|1,0,0]=2 534 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,0,1|1,0,0]=2 535 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,0,0,1|2,0,0]=3 536 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,0,0,1|2,0,0]=3 537 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,0,0,1|1,0,0]=2 538 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,0,0,1|1,1,0]=3 539 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,1|2,0,1]=4 540 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,0,0,1|2,0,1]=4 541 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,0,1|2,0,1]=4 542 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,0,0,1|2,0,1]=4 543 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,0,0,1|2,0,0]=3 544 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,0,0,1|2,0,0]=3 545 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,0,0,1|1,0,0]=2 546 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,0,0,1|3,0,0]=4 547 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,0,0,1|3,0,0]=4 548 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,0,0,1|2,0,0]=3 549 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,0,0,1|3,0,0]=4 550 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,0,0,1|2,0,0]=3 551 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,0,0,1|2,0,0]=3 552 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,0,0,1|2,0,0]=3 553 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,0,0,1|2,0,0]=3 554 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,0,0,1|3,0,0]=4 555 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,0,0,1|3,0,0]=4 556 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,0,0,1|3,0,0]=4 557 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,0,0,1|3,0,0]=4 558 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,0,0,1|3,0,0]=4 559 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,0,0,1|3,0,0]=4 560 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,0,0,0,0,1|2,0,1]=4 561 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,0,0,0,0,1|3,0,0]=4 562 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,0,0,0,0,1|3,0,0]=4 563 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,0,0,0,0,1|3,0,0]=4 564 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,0,0,0,0,1|3,0,0]=4 565 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,0,0,0,0,1|3,0,0]=4 566 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,0,0,0,0,1|3,0,0]=4 567 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,0,0,0,0,1|3,0,0]=4 568 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,0,0,0,0,1|3,0,0]=4 569 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,0,0,1|3,0,0]=4 570 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,0,0,1|3,0,0]=4 571 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,0,0,1|2,0,1]=4 572 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,0,0,1|2,0,1]=4 573 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,0,1|2,0,1]=4 574 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,0,0,1|2,0,1]=4 575 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,0,0,1|2,0,0]=3 576 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,0,0,1|3,0,0]=4 577 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,0,0,1|3,0,0]=4 578 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,1,0,0,0|2,0,0]=4 579 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,1,0,0,0|2,0,0]=4 580 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,1,0,0,0|2,0,0]=4 581 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,1,0,0,0|2,0,0]=4 582 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|2,0,0]=4 583 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|1,0,0]=3 584 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,1,0,0,0|2,0,0]=4 585 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,1,0,0,0|2,0,0]=4 586 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,1,0,0,0|2,0,0]=4 587 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,1,0,0,0|2,0,0]=4 588 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,1,0,0,0|2,0,0]=4 589 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,1,0,0,0|2,0,0]=4 590 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,1,0,0,0|2,0,0]=4 591 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,1,0,0,0|2,0,0]=4 592 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,1,0,0,0|2,0,0]=4 593 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|1,0,0]=3 594 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|1,0,0]=3 595 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|1,0,0]=3 596 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 597 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 598 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 599 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|2,0,0]=4 600 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|2,0,0]=4 601 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|2,0,0]=4 602 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|1,0,0]=3 603 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|1,0,0]=3 604 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|1,0,0]=3 605 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|1,0,0]=3 606 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|1,0,0]=3 607 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|0,0,1]=3 608 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,1,0,0,0|1,0,1]=4 609 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,1,0,0,0|1,0,1]=4 610 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,1,0,0,0|1,0,1]=4 611 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|1,1,0]=4 612 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|1,1,0]=4 613 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|1,1,0]=4 614 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|1,1,0]=4 615 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|0,1,1]=4 616 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|0,1,1]=4 617 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|2,0,0]=4 618 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 619 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|2,0,0]=4 620 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 621 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,1,0,0,0|2,0,0]=4 622 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,1,0,0,0|1,0,0]=3 623 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,1,0,0,0|2,0,0]=4 624 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,1,0,0,0|2,0,0]=4 625 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,1,0,0,0|2,0,0]=4 626 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,1,0,0,0|2,0,0]=4 627 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 628 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|2,0,0]=4 629 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 630 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,1,0,0,0|2,0,0]=4 631 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,1,0,0,0|2,0,0]=4 632 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,1,0,0,0|2,0,0]=4 633 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,1,0,0,0|2,0,0]=4 634 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,1,0,0,0|2,0,0]=4 635 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,1,0,0,0|2,0,0]=4 636 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|2,0,0]=4 637 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|2,0,0]=4 638 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,1,0,0,0|2,0,0]=4 639 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,1,0,0,0|2,0,0]=4 640 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,1,0,0,0|2,0,0]=4 641 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,1,0,0,0|2,0,0]=4 642 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,1,0,0,0|1,0,0]=3 643 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 644 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 645 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|2,0,0]=4 646 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|2,0,0]=4 647 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [1,0,1,0,0,0|0,0,2]=4 648 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,0,1,0,0,0|1,0,1]=4 649 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,0,1,0,0,0|1,0,1]=4 650 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,1,0,0,0|2,0,0]=4 651 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,1,0,0,0|2,0,0]=4 652 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,1,0,0,0|2,0,0]=4 653 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,1,0,0,0|2,0,0]=4 654 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,0,1,0,0,0|0,0,2]=4 655 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,0,1,0,0,0|2,0,0]=4 656 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,1,0,0,0|1,0,0]=3 657 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,1,0,0,0|1,0,0]=3 658 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,0,1,0,0,0|2,0,0]=4 659 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,1,0,0,0|2,0,0]=4 660 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,1,0,0,0|2,0,0]=4 661 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,1,0,0,0|2,0,0]=4 662 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,1,0,0,0|1,1,0]=4 663 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,1,0,0,0|1,1,0]=4 664 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,1,0,0,0|2,0,0]=4 665 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,1,0,0,0|2,0,0]=4 666 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|1,0,1]=4 667 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|1,0,1]=4 668 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|0,0,0]=2 669 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,1,0,0,0|1,0,1]=4 670 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,1,0,0,0|1,0,1]=4 671 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,1,0,0,0|1,0,1]=4 672 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,1,0,0,0|1,0,1]=4 673 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,1,0,0,0|0,0,1]=3 674 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,1,0,0,0|2,0,0]=4 675 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|0,1,0]=3 676 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|0,1,0]=3 677 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,1,0,0,0|0,1,1]=4 678 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,1,0,0,0|0,1,1]=4 679 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,1,0,0,0|2,0,0]=4 680 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,1,0,0,0|2,0,0]=4 681 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 682 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,1,0,0,0|2,0,0]=4 683 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 684 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,1,0,0,0|2,0,0]=4 685 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,1,0,0,0|2,0,0]=4 686 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,1,0,0,0|2,0,0]=4 687 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,1,0,0,0|1,1,0]=4 688 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,1,0,0,0|1,1,0]=4 689 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,1,0,0,0|2,0,0]=4 690 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,1,0,0,0|2,0,0]=4 691 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,1,0,0,0|2,0,0]=4 692 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,1,0,0,0|2,0,0]=4 693 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,1,0,0,0|1,1,0]=4 694 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,1,0,0,0|1,1,0]=4 695 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,1,0,0,0|1,0,0]=3 696 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,1,0,0,0|1,0,1]=4 697 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,1,0,0,0|2,0,0]=4 698 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,1,0,0,0|1,0,0]=3 699 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,1,0,0,0|1,0,0]=3 700 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,1,0,0,0|1,0,0]=3 701 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,1,0,0,0|1,1,0]=4 702 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,1,0,0,0|1,1,0]=4 703 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|1,0,0]=3 704 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|1,0,0]=3 705 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,1,0,0,0|1,0,1]=4 706 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,1,0,0,0|1,0,1]=4 707 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,1,0,0,0|1,0,1]=4 708 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,1,0,0,0|1,0,1]=4 709 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 710 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 711 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,1,0,0,0|2,0,0]=4 712 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,1,0,0,0|2,0,0]=4 713 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,1,0,0,0|2,0,0]=4 714 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,1,0,0,0|2,0,0]=4 715 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [1,0,1,0,0,0|1,0,1]=4 716 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [1,0,1,0,0,0|1,0,1]=4 717 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [1,0,1,0,0,0|1,0,1]=4 718 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,1,0,0,0|1,0,0]=3 719 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [1,0,1,0,0,0|2,0,0]=4 720 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,1,0,0,0|1,1,0]=4 721 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [1,0,1,0,0,0|2,0,0]=4 722 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [1,0,1,0,0,0|2,0,0]=4 723 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [1,0,1,0,0,0|2,0,0]=4 724 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,0,1,0,0,0|2,0,0]=4 725 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,1,0,0,0|2,0,0]=4 726 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,1,0,0,0|2,0,0]=4 727 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,1,0,0,0|2,0,0]=4 728 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,1,0,0,0|2,0,0]=4 729 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,1,0,0,0|1,0,1]=4 730 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,1,0,0,0|1,0,1]=4 731 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [1,0,1,0,0,0|1,0,1]=4 732 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,1,0,0,0|1,0,1]=4 733 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,1,0,0,0|1,0,1]=4 734 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,1,0,0,0|1,0,1]=4 735 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,1,0,0,0|1,0,1]=4 736 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,1,0,0,0|1,0,1]=4 737 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,1,0,0,0|0,0,1]=3 738 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,1,0,0,0|0,1,1]=4 739 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,1,0,0,0|0,1,1]=4 740 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,1,0,0,0|0,1,1]=4 741 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,1,0,0,0|1,0,1]=4 742 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,1,0,0,0|1,0,1]=4 743 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,1,0,0,0|1,0,1]=4 744 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,1,0,0,0|1,0,1]=4 745 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,1,0,0,0|1,0,1]=4 746 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,1,0,0,0|1,0,1]=4 747 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,1,0,0,0|1,0,1]=4 748 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,1,0,0,0|1,0,1]=4 749 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,1,0,0,0|1,0,1]=4 750 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,1,0,0,0|1,0,1]=4 751 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,1,0,0,0|1,0,1]=4 752 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,1,0,0,0|1,0,1]=4 753 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,1,0,0,0|1,0,1]=4 754 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,1,0,0,0|1,0,1]=4 755 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,1,0,0,0|1,0,1]=4 756 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,1,0,0,0|1,0,1]=4 757 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,1,0,0,0|1,0,1]=4 758 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,1,0,0,0|1,0,1]=4 759 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,1,0,0,0|1,0,0]=3 760 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,1,0,0,0|1,1,0]=4 761 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,1,0,0,0|1,1,0]=4 762 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,1,0,0,0|2,0,0]=4 763 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,1,0,0,0|1,1,0]=4 764 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,1,0,0,0|1,1,0]=4 765 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,1,0,0,0|1,0,0]=3 766 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,1,0,0,0|1,0,0]=3 767 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,1,0,0,0|1,0,0]=3 768 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,1,0,0,0|1,0,0]=3 769 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,1,0,0,0|1,0,0]=3 770 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 771 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 772 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 773 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,1,0,0,0|2,0,0]=4 774 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,1,0,0,0|2,0,0]=4 775 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,1,0,0,0|2,0,0]=4 776 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,1,0,0,0|2,0,0]=4 777 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,1,0,0,0|2,0,0]=4 778 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,1,0,0,0|2,0,0]=4 779 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,1,0,0,0|1,0,0]=3 780 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,1,0,0,0|2,0,0]=4 781 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,1,0,0,0|2,0,0]=4 782 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,1,0,0,0|1,0,0]=3 783 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,1,0,0,0|1,0,0]=3 784 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,1,0,0,0|1,0,0]=3 785 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,1,0,0,0|1,0,0]=3 786 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,1,0,0,0|2,0,0]=4 787 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,1,0,0,0|1,0,1]=4 788 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,1,0,0,0|0,0,1]=3 789 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,1,0,0,0|1,0,0]=3 790 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,1,0,0,0|1,0,0]=3 791 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,1,0,0,0|1,1,0]=4 792 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,1,0,0,0|1,1,0]=4 793 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,1,0,0,0|1,1,0]=4 794 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,1,0,0,0|1,1,0]=4 795 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,1,0,0,0|1,1,0]=4 796 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,1,0,0,0|1,1,0]=4 797 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,1,0,0,0|2,0,0]=4 798 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,1,0,0,0|2,0,0]=4 799 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,1,0,0,0|1,0,0]=3 800 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,1,0,0,0|1,0,0]=3 801 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,1,0,0,0|1,0,0]=3 802 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,1,0,0,0|0,0,1]=3 803 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,1,0,0,0|2,0,0]=4 804 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,0,1,0,0,0|1,0,1]=4 805 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,0,1,0,0,0|1,0,1]=4 806 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,0,1,0,0,0|1,0,1]=4 807 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,0,1,0,0,0|1,0,1]=4 808 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,0,1,0,0,0|1,0,0]=3 809 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,0,1,0,0,0|1,0,0]=3 810 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,0,1,0,0,0|1,0,0]=3 811 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,0,1,0,0,0|1,0,0]=3 812 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,0,1,0,0,0|1,0,1]=4 813 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,0,1,0,0,0|1,0,1]=4 814 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,0,1,0,0,0|1,0,1]=4 815 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,0,1,0,0,0|1,0,1]=4 816 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,0,1,0,0,0|1,0,1]=4 817 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,1,0,0,0|2,0,0]=4 818 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,1,0,0,0|2,0,0]=4 819 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,1,0,0,0|2,0,0]=4 820 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,1,0,0,0|2,0,0]=4 821 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,1,0,0,0|2,0,0]=4 822 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,1,0,0,0|2,0,0]=4 823 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,1,0,0,0|2,0,0]=4 824 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,1,0,0,0|1,0,1]=4 825 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,1,0,0,0|2,0,0]=4 826 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,1,0,0,0|2,0,0]=4 827 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,1,0,0,0|2,0,0]=4 828 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,1,0,0,0|2,0,0]=4 829 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,1,0,0,0|2,0,0]=4 830 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,1,0,0,0|2,0,0]=4 831 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,1,0,0,0|1,0,0]=3 832 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,1,0,0,0|1,0,1]=4 833 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,1,0,0,0|1,1,0]=4 834 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,1,0,0,0|1,1,0]=4 835 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,1,0,0,0|2,0,0]=4 836 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,1,0,0,0|2,0,0]=4 837 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,1,0,0,0|2,0,0]=4 838 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,1,0,0,0|2,0,0]=4 839 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,1,0,0,0|1,0,0]=3 840 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,1,0,0,0|1,0,0]=3 841 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,1,1,0,0,0|1,0,1]=4 842 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,1,0,0,0|2,0,0]=4 843 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,1,0,0,0|2,0,0]=4 844 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,1,0,0,0|2,0,0]=4 845 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,1,0,0,0|1,0,1]=4 846 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,1,0,0,0|1,0,1]=4 847 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,1,0,0,0|0,0,2]=4 848 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,1,0,0,0|1,0,0]=3 849 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,1,0,0,0|2,0,0]=4 850 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,1,0,0,0|2,0,0]=4 851 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,1,0,0,0|2,0,0]=4 852 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,1,0,0,0|1,0,0]=3 853 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,1,0,0,0|1,0,1]=4 854 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,1,1,0,0,0|0,0,2]=4 855 B8R0.6 C=C(C#N)COCCC 34a_100000210258_100000694840 [0,1,1,0,0,0|2,0,0]=4 856 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,1,0,0,0|2,0,0]=4 857 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,1,0,0,0|2,0,0]=4 858 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,1,0,0,0|1,0,0]=3 859 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,1,1,0,0,0|2,0,0]=4 860 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,1,1,0,0,0|1,0,1]=4 861 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,1,0,0,0|1,0,1]=4 862 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,1,1,0,0,0|0,0,2]=4 863 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,1,0,0,0|1,0,1]=4 864 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,1,0,0,0|1,0,1]=4 865 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,1,0,0,0|2,0,0]=4 866 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,1,0,0,0|1,0,0]=3 867 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,1,0,0,0|1,0,0]=3 868 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,1,0,0,0|2,0,0]=4 869 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,1,0,0,0|2,0,0]=4 870 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,1,0,0,0|2,0,0]=4 871 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,1,0,0,0|2,0,0]=4 872 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,1,0,0,0|2,0,0]=4 873 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,1,0,0,0|2,0,0]=4 874 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,1,0,0,0|2,0,0]=4 875 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,1,0,0,0|2,0,0]=4 876 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,1,0,0,0|2,0,0]=4 877 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,1,0,0,0|2,0,0]=4 878 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,1,0,0,0|2,0,0]=4 879 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|1,0,0]=3 880 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,1,0,0,0|2,0,0]=4 881 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 882 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 883 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 884 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,1,0,0,0|2,0,0]=4 885 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,1,0,0,0|2,0,0]=4 886 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,1,0,0,0|2,0,0]=4 887 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,1,0,0,0|2,0,0]=4 888 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,1,0,0,0|1,0,0]=3 889 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,1,0,0,0|1,0,0]=3 890 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,1,0,0,0|1,0,0]=3 891 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,1,0,0,0|1,0,0]=3 892 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 893 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 894 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,1,0,0,0|1,0,0]=3 895 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,1,0,0,0|1,0,0]=3 896 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 897 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|0,0,0]=2 898 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,1,1,0,0,0|1,0,1]=4 899 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,1,0,0,0|1,0,1]=4 900 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,1,1,0,0,0|0,0,2]=4 901 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,1,1,0,0,0|1,0,1]=4 902 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,1,1,0,0,0|1,0,1]=4 903 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,1,1,0,0,0|0,0,2]=4 904 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,1,0,0,0|1,1,0]=4 905 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,1,0,0,0|1,1,0]=4 906 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,1,0,0,0|1,1,0]=4 907 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,1,0,0,0|1,1,0]=4 908 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,1,0,0,0|1,1,0]=4 909 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,1,0,0,0|1,1,0]=4 910 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,1,0,0,0|1,1,0]=4 911 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,1,0,0,0|1,1,0]=4 912 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,1,0,0,0|1,1,0]=4 913 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,1,0,0,0|1,1,0]=4 914 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|0,1,0]=3 915 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|0,1,0]=3 916 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,1,0,0,0|2,0,0]=4 917 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,1,0,0,0|2,0,0]=4 918 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,1,0,0,0|2,0,0]=4 919 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,1,0,0,0|2,0,0]=4 920 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,1,0,0,0|2,0,0]=4 921 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,1,0,0,0|2,0,0]=4 922 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,1,0,0,0|1,0,0]=3 923 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,1,0,0,0|2,0,0]=4 924 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,1,0,0,0|2,0,0]=4 925 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,1,0,0,0|2,0,0]=4 926 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,1,0,0,0|2,0,0]=4 927 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,1,0,0,0|2,0,0]=4 928 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,1,0,0,0|2,0,0]=4 929 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,1,0,0,0|2,0,0]=4 930 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,1,0,0,0|2,0,0]=4 931 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,1,0,0,0|2,0,0]=4 932 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,1,0,0,0|2,0,0]=4 933 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,1,0,0,0|2,0,0]=4 934 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,1,0,0,0|2,0,0]=4 935 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,1,0,0,0|2,0,0]=4 936 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,1,0,0,0|2,0,0]=4 937 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,1,0,0,0|2,0,0]=4 938 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,1,0,0,0|2,0,0]=4 939 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 940 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,1,0,0,0|2,0,0]=4 941 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 942 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,1,0,0,0|2,0,0]=4 943 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,1,0,0,0|2,0,0]=4 944 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,1,0,0,0|2,0,0]=4 945 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,1,0,0,0|2,0,0]=4 946 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,1,0,0,0|2,0,0]=4 947 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,1,0,0,0|2,0,0]=4 948 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,1,0,0,0|2,0,0]=4 949 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,1,0,0,0|1,0,0]=3 950 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,1,0,0,0|1,0,0]=3 951 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,1,0,0,0|1,0,0]=3 952 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,1,0,0,0|1,0,0]=3 953 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,1,0,0,0|1,1,0]=4 954 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,1,0,0,0|1,1,0]=4 955 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,1,0,0,0|1,0,0]=3 956 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,1,0,0,0|1,0,0]=3 957 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,1,0,0,0|1,1,0]=4 958 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,1,0,0,0|1,1,0]=4 959 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,1,0,0,0|2,0,0]=4 960 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,1,0,0,0|2,0,0]=4 961 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,1,0,0,0|1,1,0]=4 962 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,1,0,0,0|1,1,0]=4 963 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,1,0,0,0|1,0,1]=4 964 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,1,0,0,0|1,0,0]=3 965 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,1,0,0,0|2,0,0]=4 966 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,1,1,0,0,0|0,0,2]=4 967 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,1,0,0,0|1,0,0]=3 968 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,1,0,0,0|0,0,0]=2 969 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 970 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 971 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,1,0,0,0|1,0,0]=3 972 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,1,0,0,0|1,0,0]=3 973 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,1,0,0,0|2,0,0]=4 974 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,1,1,0,0,0|2,0,0]=4 975 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,1,1,0,0,0|2,0,0]=4 976 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,1,1,0,0,0|2,0,0]=4 977 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,1,1,0,0,0|1,0,1]=4 978 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,1,1,0,0,0|1,0,1]=4 979 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,1,1,0,0,0|1,0,1]=4 980 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,1,1,0,0,0|0,0,2]=4 981 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,1,1,0,0,0|0,0,2]=4 982 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,1,0,0,0|1,0,1]=4 983 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,1,1,0,0,0|1,0,1]=4 984 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,1,1,0,0,0|1,0,1]=4 985 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,1,1,0,0,0|0,0,2]=4 986 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,1,1,0,0,0|2,0,0]=4 987 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,1,1,0,0,0|2,0,0]=4 988 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,1,1,0,0,0|2,0,0]=4 989 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,1,1,0,0,0|2,0,0]=4 990 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,1,1,0,0,0|2,0,0]=4 991 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,1,1,0,0,0|2,0,0]=4 992 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,1,1,0,0,0|2,0,0]=4 993 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,1,1,0,0,0|2,0,0]=4 994 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,1,1,0,0,0|2,0,0]=4 995 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,1,1,0,0,0|2,0,0]=4 996 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,1,1,0,0,0|2,0,0]=4 997 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,1,1,0,0,0|2,0,0]=4 998 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,1,1,0,0,0|2,0,0]=4 999 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,1,1,0,0,0|2,0,0]=4 1000 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,1,1,0,0,0|2,0,0]=4 1001 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,1,1,0,0,0|2,0,0]=4 1002 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,1,1,0,0,0|2,0,0]=4 1003 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,1,1,0,0,0|2,0,0]=4 1004 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,1,1,0,0,0|2,0,0]=4 1005 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,1,1,0,0,0|2,0,0]=4 1006 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,1,1,0,0,0|2,0,0]=4 1007 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,1,1,0,0,0|2,0,0]=4 1008 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,1,1,0,0,0|2,0,0]=4 1009 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,1,0,0,0|2,0,0]=4 1010 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,1,0,0,0|2,0,0]=4 1011 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [0,1,1,0,0,0|2,0,0]=4 1012 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,1,1,0,0,0|2,0,0]=4 1013 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,1,1,0,0,0|2,0,0]=4 1014 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,1,1,0,0,0|2,0,0]=4 1015 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [0,1,1,0,0,0|2,0,0]=4 1016 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [0,1,1,0,0,0|2,0,0]=4 1017 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [0,1,1,0,0,0|2,0,0]=4 1018 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,1,1,0,0,0|2,0,0]=4 1019 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,1,1,0,0,0|2,0,0]=4 1020 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [0,1,1,0,0,0|2,0,0]=4 1021 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [0,1,1,0,0,0|2,0,0]=4 1022 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,1,1,0,0,0|2,0,0]=4 1023 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,1,1,0,0,0|2,0,0]=4 1024 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,1,1,0,0,0|2,0,0]=4 1025 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,1,1,0,0,0|2,0,0]=4 1026 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,1,1,0,0,0|2,0,0]=4 1027 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,1,0,0,0|2,0,0]=4 1028 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,1,0,0,0|2,0,0]=4 1029 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,1,0,0,0|2,0,0]=4 1030 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,1,0,0,0|1,0,1]=4 1031 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,1,1,0,0,0|1,0,1]=4 1032 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,1,1,0,0,0|1,0,1]=4 1033 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,1,1,0,0,0|0,0,2]=4 1034 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,1,1,0,0,0|0,0,2]=4 1035 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,1,1,0,0,0|1,0,1]=4 1036 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,1,1,0,0,0|1,0,1]=4 1037 B8R0.7 CC#CCOCC(=O)N 34a_100000761923_100000187820 [0,1,1,0,0,0|1,0,1]=4 1038 B8R0.7 CC#CCOCC(=O)[O-] 34a_100000761923_100020667443 [0,1,1,0,0,0|0,0,2]=4 1039 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,1,1,0,0,0|2,0,0]=4 1040 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,1,1,0,0,0|2,0,0]=4 1041 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,1,0,0,0|1,0,0]=3 1042 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,1,0,0,0|1,0,0]=3 1043 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,1,0,0,0|1,1,0]=4 1044 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,1,0,0,0|1,1,0]=4 1045 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,1,1,0,0,0|2,0,0]=4 1046 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,1,1,0,0,0|2,0,0]=4 1047 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,1,1,0,0,0|2,0,0]=4 1048 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,1,1,0,0,0|2,0,0]=4 1049 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,1,1,0,0,0|2,0,0]=4 1050 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,1,1,0,0,0|2,0,0]=4 1051 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,1,1,0,0,0|1,0,0]=3 1052 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,1,1,0,0,0|1,0,0]=3 1053 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,1,1,0,0,0|1,0,0]=3 1054 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,1,1,0,0,0|1,0,0]=3 1055 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,1,0,0,0|2,0,0]=4 1056 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,1,0,0,0|2,0,0]=4 1057 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,1,0,0,0|1,0,0]=3 1058 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,1,0,0,0|1,0,0]=3 1059 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,1,1,0,0,0|1,0,0]=3 1060 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,1,0,0,0|1,0,0]=3 1061 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,1,0,0,0|1,0,0]=3 1062 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,1,0,0,0|1,0,0]=3 1063 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,1,1,0,0,0|2,0,0]=4 1064 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,1,1,0,0,0|2,0,0]=4 1065 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,1,1,0,0,0|2,0,0]=4 1066 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,1,1,0,0,0|2,0,0]=4 1067 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,1,1,0,0,0|2,0,0]=4 1068 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,1,1,0,0,0|2,0,0]=4 1069 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,1,1,0,0,0|1,0,1]=4 1070 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,1,1,0,0,0|1,0,1]=4 1071 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,1,1,0,0,0|1,0,1]=4 1072 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,1,1,0,0,0|1,0,1]=4 1073 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,1,1,0,0,0|1,0,1]=4 1074 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,1,1,0,0,0|1,0,1]=4 1075 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,1,1,0,0,0|1,0,1]=4 1076 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,1,1,0,0,0|1,0,1]=4 1077 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,1,1,0,0,0|1,0,1]=4 1078 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,1,1,0,0,0|1,0,1]=4 1079 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,1,1,0,0,0|1,0,1]=4 1080 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,1,1,0,0,0|1,0,1]=4 1081 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,1,1,0,0,0|1,0,1]=4 1082 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,1,1,0,0,0|1,0,1]=4 1083 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,1,0,0,0|2,0,0]=4 1084 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,1,0,0,0|2,0,0]=4 1085 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,1,0,0,0|2,0,0]=4 1086 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,1,0,0,0|2,0,0]=4 1087 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,1,0,0,0|2,0,0]=4 1088 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,1,0,0,0|2,0,0]=4 1089 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,1,0,0,0|2,0,0]=4 1090 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,1,0,0,0|2,0,0]=4 1091 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,1,0,0,0|2,0,0]=4 1092 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,1,0,0,0|2,0,0]=4 1093 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,1,0,0,0|2,0,0]=4 1094 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,1,0,0,0|2,0,0]=4 1095 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,1,0,0,0|1,0,0]=3 1096 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,1,0,0,0|1,0,0]=3 1097 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,1,0,0,0|1,0,0]=3 1098 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,1,0,0,0|1,0,0]=3 1099 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,1,0,0,0|1,0,0]=3 1100 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,1,0,0,0|1,0,0]=3 1101 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,1,0,0,0|1,0,0]=3 1102 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,1,0,0,0|0,0,1]=3 1103 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,1,1,0,0,0|1,0,1]=4 1104 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,1,1,0,0,0|1,0,1]=4 1105 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,1,1,0,0,0|1,0,1]=4 1106 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,1,1,0,0,0|1,0,1]=4 1107 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,1,1,0,0,0|1,0,1]=4 1108 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,1,0,0,0|1,1,0]=4 1109 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,1,0,0,0|1,1,0]=4 1110 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,1,0,0,0|1,1,0]=4 1111 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,1,0,0,0|1,1,0]=4 1112 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,1,0,0,0|0,1,1]=4 1113 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,1,0,0,0|0,1,1]=4 1114 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,1,0,0,0|0,0,0]=2 1115 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,1,1,0,0,0|2,0,0]=4 1116 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,1,1,0,0,0|2,0,0]=4 1117 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,1,0,0,0|1,0,0]=3 1118 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,1,0,0,0|1,0,0]=3 1119 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,1,0,0,0|1,0,0]=3 1120 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,1,0,0,0|1,0,0]=3 1121 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,1,0,0,0|1,0,0]=3 1122 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,1,0,0,0|1,0,0]=3 1123 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,1,0,0,0|1,0,1]=4 1124 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,1,1,0,0,0|1,0,0]=3 1125 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,1,0,0,0|1,1,0]=4 1126 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,1,0,0,0|1,1,0]=4 1127 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,1,0,0,0|1,1,0]=4 1128 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,1,0,0,0|1,1,0]=4 1129 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,1,0,0,0|1,1,0]=4 1130 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,1,0,0,0|1,1,0]=4 1131 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,1,0,0,0|2,0,0]=4 1132 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,1,1,0,0,0|2,0,0]=4 1133 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,1,1,0,0,0|2,0,0]=4 1134 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,1,1,0,0,0|2,0,0]=4 1135 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,1,1,0,0,0|2,0,0]=4 1136 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,1,1,0,0,0|2,0,0]=4 1137 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,1,0,0,0|1,0,0]=3 1138 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,1,1,0,0,0|1,1,0]=4 1139 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,1,1,0,0,0|1,1,0]=4 1140 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,1,1,0,0,0|0,1,1]=4 1141 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,1,1,0,0,0|0,1,1]=4 1142 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,1,0,0,0|2,0,0]=4 1143 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,1,0,0,0|2,0,0]=4 1144 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,1,0,0,0|2,0,0]=4 1145 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,1,0,0,0|2,0,0]=4 1146 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,1,0,0,0|2,0,0]=4 1147 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,1,0,0,0|2,0,0]=4 1148 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,1,0,0,0|2,0,0]=4 1149 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,1,1,0,0,0|1,0,0]=3 1150 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,1,1,0,0,0|1,0,0]=3 1151 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,1,1,0,0,0|1,0,0]=3 1152 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,1,0,0,0|0,0,0]=2 1153 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,1,1,0,0,0|1,0,1]=4 1154 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,1,1,0,0,0|1,0,0]=3 1155 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,1,1,0,0,0|1,0,0]=3 1156 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,1,1,0,0,0|1,0,0]=3 1157 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,1,1,0,0,0|1,0,0]=3 1158 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,1,1,0,0,0|1,0,1]=4 1159 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,1,1,0,0,0|1,0,1]=4 1160 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,1,1,0,0,0|2,0,0]=4 1161 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,1,1,0,0,0|2,0,0]=4 1162 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,1,1,0,0,0|2,0,0]=4 1163 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,1,1,0,0,0|2,0,0]=4 1164 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,1,1,0,0,0|2,0,0]=4 1165 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,1,1,0,0,0|2,0,0]=4 1166 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,1,0,0,0|2,0,0]=4 1167 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,1,0,0,0|2,0,0]=4 1168 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,1,0,0,0|1,0,0]=3 1169 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,1,1,0,0,0|1,0,0]=3 1170 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,1,1,0,0,0|1,0,0]=3 1171 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,1,1,0,0,0|1,0,0]=3 1172 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,1,1,0,0,0|1,0,0]=3 1173 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,1,1,0,0,0|1,0,0]=3 1174 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,1,1,0,0,0|0,0,1]=3 1175 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,1,1,0,0,0|1,0,1]=4 1176 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,1,1,0,0,0|1,0,1]=4 1177 B8R0.7 COCCOC[N+](=O)[O-] 34a_100000210237_100000761209 [0,1,1,0,0,0|1,0,1]=4 1178 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,1,1,0,0,0|1,1,0]=4 1179 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,1,1,0,0,0|1,1,0]=4 1180 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,1,1,0,0,0|0,1,1]=4 1181 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,1,1,0,0,0|0,1,1]=4 1182 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,1,1,0,0,0|1,0,0]=3 1183 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,1,1,0,0,0|2,0,0]=4 1184 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,1,1,0,0,0|2,0,0]=4 1185 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,1,1,0,0,0|2,0,0]=4 1186 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,1,1,0,0,0|2,0,0]=4 1187 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,1,0,0,0|1,1,0]=4 1188 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,1,0,0,0|1,1,0]=4 1189 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,1,0,0,0|2,0,0]=4 1190 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,1,0,0,0|2,0,0]=4 1191 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,1,0,0,0|1,0,0]=3 1192 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,1,0,0,0|1,0,0]=3 1193 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,1,1,0,0,0|1,0,0]=3 1194 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,1,1,0,0,0|1,0,0]=3 1195 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,1,1,0,0,0|1,0,0]=3 1196 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,1,1,0,0,0|1,0,0]=3 1197 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,1,1,0,0,0|0,0,1]=3 1198 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,1,1,0,0,0|1,0,1]=4 1199 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,1,1,0,0,0|1,0,1]=4 1200 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,1,1,0,0,0|1,0,1]=4 1201 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,1,1,0,0,0|1,0,1]=4 1202 B8R0.7 CSCCOC[N+](=O)[O-] 34a_100000230434_100000761209 [0,1,1,0,0,0|1,0,1]=4 1203 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,1,0,0,0|1,1,0]=4 1204 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,1,0,0,0|1,1,0]=4 1205 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,1,0,0,0|0,1,1]=4 1206 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,1,0,0,0|0,1,1]=4 1207 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,1,1,0,0,0|1,0,0]=3 1208 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,1,1,0,0,0|2,0,0]=4 1209 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,1,1,0,0,0|2,0,0]=4 1210 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,1,1,0,0,0|1,0,1]=4 1211 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,1,1,0,0,0|1,0,1]=4 1212 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,1,1,0,0,0|1,0,1]=4 1213 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,1,1,0,0,0|1,0,1]=4 1214 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,1,1,0,0,0|1,0,1]=4 1215 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,1,1,0,0,0|1,0,1]=4 1216 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,1,1,0,0,0|1,0,1]=4 1217 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,1,1,0,0,0|1,0,1]=4 1218 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,1,1,0,0,0|2,0,0]=4 1219 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,1,1,0,0,0|2,0,0]=4 1220 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,1,1,0,0,0|2,0,0]=4 1221 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,1,1,0,0,0|2,0,0]=4 1222 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,1,1,0,0,0|1,0,0]=3 1223 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,1,1,0,0,0|1,0,0]=3 1224 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,1,1,0,0,0|2,0,0]=4 1225 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 1226 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 1227 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,1,1,0,0,0|1,0,0]=3 1228 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,1,1,0,0,0|1,0,0]=3 1229 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,1,0,0,0|2,0,0]=4 1230 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,1,0,0,0|2,0,0]=4 1231 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,1,0,0,0|1,0,0]=3 1232 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,1,0,0,0|1,0,0]=3 1233 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,1,0,0,0|2,0,0]=4 1234 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,1,0,0,0|2,0,0]=4 1235 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,1,0,0,0|2,0,0]=4 1236 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,1,0,0,0|1,0,0]=3 1237 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,1,1,0,0,0|1,0,0]=3 1238 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,1,1,0,0,0|1,0,0]=3 1239 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,1,1,0,0,0|1,0,0]=3 1240 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,1,0,0,0|1,1,0]=4 1241 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,1,0,0,0|1,1,0]=4 1242 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,1,0,0,0|1,0,0]=3 1243 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,1,0,0,0|1,0,0]=3 1244 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,1,0,0,0|1,0,0]=3 1245 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,1,0,0,0|0,0,1]=3 1246 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,1,1,0,0,0|1,0,1]=4 1247 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,1,1,0,0,0|2,0,0]=4 1248 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,1,1,0,0,0|2,0,0]=4 1249 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,1,1,0,0,0|1,0,1]=4 1250 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,1,0,0,0|1,0,0]=3 1251 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,1,0,0,0|0,0,0]=2 1252 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,1,1,0,0,0|1,0,0]=3 1253 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,1,1,0,0,0|1,0,0]=3 1254 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,1,0,0,0|1,0,1]=4 1255 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,1,1,0,0,0|0,0,1]=3 1256 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,1,1,0,0,0|0,0,1]=3 1257 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,1,1,0,0,0|0,0,1]=3 1258 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,1,0,0,0|0,1,1]=4 1259 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,1,0,0,0|0,1,1]=4 1260 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,1,0,0,0|0,0,1]=3 1261 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,1,0,0,0|0,0,1]=3 1262 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,1,1,0,0,0|1,0,1]=4 1263 B8R0.7 O=[N+]([O-])COCCCBr 34a_100011217188_100000761209 [0,1,1,0,0,0|1,0,1]=4 1264 B8R0.7 O=[N+]([O-])COCCCCl 34a_100000230001_100000761209 [0,1,1,0,0,0|1,0,1]=4 1265 B8R0.7 O=[N+]([O-])COCCCF 34a_100000759539_100000761209 [0,1,1,0,0,0|1,0,1]=4 1266 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,1,1,0,0,0|1,0,1]=4 1267 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,1,0,0,0|1,0,0]=3 1268 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,1,1,0,0,0|1,0,0]=3 1269 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,1,0,0,0|2,0,0]=4 1270 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,1,0,0,0|0,0,0]=2 1271 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,1,1,0,0,0|1,0,0]=3 1272 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,1,1,0,0,0|1,0,0]=3 1273 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,1,1,0,0,0|1,0,1]=4 1274 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,1,1,0,0,0|1,0,1]=4 1275 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,1,1,0,0,0|1,0,0]=3 1276 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,1,1,0,0,0|1,0,0]=3 1277 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,1,0,0,0|2,0,0]=4 1278 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,1,0,0,0|2,0,0]=4 1279 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,1,0,0,0|2,0,0]=4 1280 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,1,0,0,0|2,0,0]=4 1281 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,1,0,0,0|2,0,0]=4 1282 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,1,1,0,0,0|2,0,0]=4 1283 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,1,1,0,0,0|2,0,0]=4 1284 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,1,1,0,0,0|2,0,0]=4 1285 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,1,1,0,0,0|2,0,0]=4 1286 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,1,1,0,0,0|2,0,0]=4 1287 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,1,1,0,0,0|2,0,0]=4 1288 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,1,0,0,0|2,0,0]=4 1289 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,1,1,0,0,0|2,0,0]=4 1290 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,1,1,0,0,0|2,0,0]=4 1291 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,1,0,0,0|2,0,0]=4 1292 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,1,0,0,0|2,0,0]=4 1293 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,1,0,0,0|2,0,0]=4 1294 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,1,0,0,0|2,0,0]=4 1295 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,1,0,0,0|2,0,0]=4 1296 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,1,0,0,0|1,0,0]=3 1297 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,1,0,0,0|2,0,0]=4 1298 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,1,0,0,0|2,0,0]=4 1299 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,1,0,0,0|1,0,0]=3 1300 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,1,0,0,0|1,0,0]=3 1301 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,1,0,0,0|1,0,0]=3 1302 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,1,0,0,0|0,0,1]=3 1303 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,1,0,0,0|0,0,1]=3 1304 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,1,0,0,0|1,0,0]=3 1305 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,1,0,0,0|1,0,0]=3 1306 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,1,0,0,0|1,1,0]=4 1307 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,1,0,0,0|1,1,0]=4 1308 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,1,0,0,0|1,1,0]=4 1309 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,1,0,0,0|1,1,0]=4 1310 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,1,0,0,0|1,1,0]=4 1311 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,1,0,0,0|1,1,0]=4 1312 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,1,0,0,0|0,1,1]=4 1313 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,1,0,0,0|0,1,1]=4 1314 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,1,0,0,0|2,0,0]=4 1315 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,1,0,0,0|2,0,0]=4 1316 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,1,0,0,0|2,0,0]=4 1317 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,1,0,0,0|2,0,0]=4 1318 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,1,0,0,0|2,0,0]=4 1319 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,1,1,0,0,0|2,0,0]=4 1320 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,1,1,0,0,0|2,0,0]=4 1321 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,1,1,0,0,0|2,0,0]=4 1322 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,1,1,0,0,0|2,0,0]=4 1323 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,1,1,0,0,0|2,0,0]=4 1324 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,1,0,0,0|2,0,0]=4 1325 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,1,0,0,0|2,0,0]=4 1326 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,1,0,0,0|2,0,0]=4 1327 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,1,0,0,0|1,0,0]=3 1328 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,1,1,0,0,0|1,0,1]=4 1329 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,1,1,0,0,0|1,0,1]=4 1330 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,1,1,0,0,0|2,0,0]=4 1331 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,1,1,0,0,0|2,0,0]=4 1332 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,1,1,0,0,0|2,0,0]=4 1333 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,1,1,0,0,0|2,0,0]=4 1334 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,1,1,0,0,0|2,0,0]=4 1335 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,1,1,0,0,0|2,0,0]=4 1336 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,1,1,0,0,0|1,0,1]=4 1337 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,1,1,0,0,0|2,0,0]=4 1338 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,1,1,0,0,0|1,0,1]=4 1339 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,1,1,0,0,0|1,0,1]=4 1340 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,1,1,0,0,0|1,0,1]=4 1341 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,1,1,0,0,0|1,0,1]=4 1342 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,1,0,0,0|2,0,0]=4 1343 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,1,0,0,0|2,0,0]=4 1344 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,1,1,0,0,0|2,0,0]=4 1345 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,1,1,0,0,0|2,0,0]=4 1346 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,1,0,0,0|2,0,0]=4 1347 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,1,0,0,0|2,0,0]=4 1348 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,1,0,0,0|2,0,0]=4 1349 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,1,0,0,0|2,0,0]=4 1350 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,1,0,0,0|2,0,0]=4 1351 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,1,0,0,0|2,0,0]=4 1352 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,1,0,0,0|2,0,0]=4 1353 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,1,0,0,0|2,0,0]=4 1354 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,1,0,0,0|2,0,0]=4 1355 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,1,0,0,0|1,0,1]=4 1356 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|2,0,0]=4 1357 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|1,0,1]=4 1358 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,1,0,0,0|2,0,0]=4 1359 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,1,0,0,0|2,0,0]=4 1360 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,1,0,0,0|1,0,1]=4 1361 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,1,0,0,0|2,0,0]=4 1362 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,1,0,0,0|2,0,0]=4 1363 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,1,0,0,0|2,0,0]=4 1364 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,1,0,0,0|2,0,0]=4 1365 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,1,0,0,0|1,0,0]=3 1366 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,1,0,0,0|1,0,0]=3 1367 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,1,0,0,0|1,0,0]=3 1368 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,1,0,0,0|1,0,1]=4 1369 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,1,0,0,0|1,0,1]=4 1370 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,1,0,0,0|1,1,0]=4 1371 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,1,0,0,0|1,1,0]=4 1372 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,1,0,0,0|0,1,1]=4 1373 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,1,0,0,0|0,1,1]=4 1374 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,1,0,0,0|2,0,0]=4 1375 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,1,0,0,0|2,0,0]=4 1376 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,1,0,0,0|1,0,0]=3 1377 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,1,0,0,0|2,0,0]=4 1378 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,1,0,0,0|2,0,0]=4 1379 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,1,0,0,0|1,0,1]=4 1380 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,1,0,0,0|1,0,1]=4 1381 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [0,1,1,0,0,0|1,0,1]=4 1382 B8R0.21 CCCOCS(=O)(=O)[O-] 34a_100000210258_100009817235 [0,1,1,0,0,0|1,0,1]=4 1383 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,1,0,0,0|1,0,1]=4 1384 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,1,1,0,0,0|1,0,1]=4 1385 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,1,1,0,0,0|1,0,1]=4 1386 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,1,1,0,0,0|0,0,2]=4 1387 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,1,1,0,0,0|2,0,0]=4 1388 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,1,1,0,0,0|2,0,0]=4 1389 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,1,1,0,0,0|2,0,0]=4 1390 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,1,1,0,0,0|2,0,0]=4 1391 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,1,1,0,0,0|2,0,0]=4 1392 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,1,1,0,0,0|2,0,0]=4 1393 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,1,1,0,0,0|2,0,0]=4 1394 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,1,1,0,0,0|2,0,0]=4 1395 B8R0.28 C=C(F)COCC(C)Br 34a_100012180447_100009893438 [0,1,1,0,0,0|2,0,0]=4 1396 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,1,1,0,0,0|2,0,0]=4 1397 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,1,1,0,0,0|2,0,0]=4 1398 B8R0.28 C=C(F)COCC(C)F 34a_100015925927_100009893438 [0,1,1,0,0,0|2,0,0]=4 1399 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [0,1,1,0,0,0|2,0,0]=4 1400 B8R0.28 C=C(F)COC[C@@H](C)Cl 34a_100016084084_100009893438 [0,1,1,0,0,0|2,0,0]=4 1401 B8R0.28 C=C(F)COC[C@@H](C)N 34a_100000737577_100009893438 [0,1,1,0,0,0|2,0,0]=4 1402 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [0,1,1,0,0,0|2,0,0]=4 1403 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,1,0,0,0|2,0,0]=4 1404 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,1,0,0,0|2,0,0]=4 1405 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,1,0,0,0|1,0,0]=3 1406 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,1,1,0,0,0|1,0,1]=4 1407 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,1,1,0,0,0|1,0,1]=4 1408 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,1,1,0,0,0|0,0,2]=4 1409 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,1,0,0,0|1,0,0]=3 1410 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,1,0,0,0|1,0,0]=3 1411 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,1,0,0,0|1,0,0]=3 1412 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,1,1,0,0,0|2,0,0]=4 1413 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,1,0,0,0|1,0,0]=3 1414 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,1,0,0,0|2,0,0]=4 1415 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,1,0,0,0|2,0,0]=4 1416 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,1,0,0,0|1,0,0]=3 1417 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,1,0,0,0|0,0,1]=3 1418 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,1,1,0,0,0|1,0,1]=4 1419 B8R0.28 CC(Br)COC[N+](=O)[O-] 34a_100012180447_100000761209 [0,1,1,0,0,0|1,0,1]=4 1420 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,1,0,0,0|2,0,0]=4 1421 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,1,0,0,0|2,0,0]=4 1422 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,1,0,0,0|2,0,0]=4 1423 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,1,0,0,0|2,0,0]=4 1424 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,1,0,0,0|1,0,0]=3 1425 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,1,0,0,0|1,0,1]=4 1426 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,1,0,0,0|1,0,0]=3 1427 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,1,0,0,0|1,0,0]=3 1428 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,1,0,0,0|0,0,1]=3 1429 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,1,1,0,0,0|1,0,1]=4 1430 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,1,1,0,0,0|1,0,1]=4 1431 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,1,1,0,0,0|1,0,1]=4 1432 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,1,0,0,0|1,1,0]=4 1433 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,1,0,0,0|1,1,0]=4 1434 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,1,0,0,0|0,1,1]=4 1435 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,1,0,0,0|0,1,1]=4 1436 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,1,1,0,0,0|1,0,0]=3 1437 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,1,0,0,0|1,0,0]=3 1438 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,1,0,0,0|0,0,1]=3 1439 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,1,1,0,0,0|1,0,1]=4 1440 B8R0.28 CC(F)COC[N+](=O)[O-] 34a_100015925927_100000761209 [0,1,1,0,0,0|1,0,1]=4 1441 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,1,0,0,0|2,0,0]=4 1442 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,1,0,0,0|2,0,0]=4 1443 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|2,0,0]=4 1444 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,1,0,0,0|1,0,0]=3 1445 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|1,0,1]=4 1446 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,1,1,0,0,0|1,0,1]=4 1447 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,1,1,0,0,0|1,0,1]=4 1448 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,1,1,0,0,0|1,0,1]=4 1449 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,1,1,0,0,0|1,0,1]=4 1450 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,1,0,0,0|1,1,0]=4 1451 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,1,0,0,0|1,1,0]=4 1452 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,1,0,0,0|0,1,1]=4 1453 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,1,0,0,0|0,1,1]=4 1454 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,1,0,0,0|2,0,0]=4 1455 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,1,0,0,0|2,0,0]=4 1456 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,1,0,0,0|1,0,0]=3 1457 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,1,0,0,0|0,0,1]=3 1458 B8R0.28 C[C@@H](Cl)COC[N+](=O)[O-] 34a_100016084084_100000761209 [0,1,1,0,0,0|1,0,1]=4 1459 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,1,0,0,0|1,0,0]=3 1460 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,1,0,0,0|0,0,1]=3 1461 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,1,1,0,0,0|1,0,1]=4 1462 B8R0.28 C[C@@H](N)COC[N+](=O)[O-] 34a_100000737577_100000761209 [0,1,1,0,0,0|1,0,1]=4 1463 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,1,0,0,0|2,0,0]=4 1464 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,1,0,0,0|1,0,0]=3 1465 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,1,1,0,0,0|1,0,1]=4 1466 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,1,0,0,0|1,1,0]=4 1467 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,1,0,0,0|1,1,0]=4 1468 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,1,0,0,0|0,1,1]=4 1469 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,1,0,0,0|0,1,1]=4 1470 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,1,1,0,0,0|2,0,0]=4 1471 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,1,1,0,0,0|2,0,0]=4 1472 B8R0.28 O=C([O-])COCC(F)F 34a_100000743014_100020667443 [0,1,1,0,0,0|1,0,1]=4 1473 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,1,1,0,0,0|1,0,1]=4 1474 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,1,0,0,0|2,0,0]=4 1475 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,1,0,0,0|2,0,0]=4 1476 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,1,0,0,0|2,0,0]=4 1477 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,1,0,0,0|2,0,0]=4 1478 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,1,0,0,0|2,0,0]=4 1479 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,1,0,0,0|2,0,0]=4 1480 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,1,0,0,0|2,0,0]=4 1481 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,1,0,0,0|2,0,0]=4 1482 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,1,0,0,0|2,0,0]=4 1483 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,1,0,0,0|2,0,0]=4 1484 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,1,0,0,0|2,0,0]=4 1485 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,1,0,0,0|2,0,0]=4 1486 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,1,0,0,0|1,0,0]=3 1487 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,1,0,0,0|2,0,0]=4 1488 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,1,0,0,0|2,0,0]=4 1489 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,1,0,0,0|2,0,0]=4 1490 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,1,0,0,0|2,0,0]=4 1491 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,1,0,0,0|2,0,0]=4 1492 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,1,0,0,0|2,0,0]=4 1493 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,1,0,0,0|2,0,0]=4 1494 B8R0.3 CC(OCF)C(=O)NN 34a_100000725659_100015361967 [0,1,1,0,0,0|2,0,0]=4 1495 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,1,0,0,0|2,0,0]=4 1496 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,1,0,0,0|2,0,0]=4 1497 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,1,0,0,0|2,0,0]=4 1498 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|1,0,0]=3 1499 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,1,0,0,0|2,0,0]=4 1500 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1501 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1502 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1503 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 1504 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 1505 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,1,0,0,0|1,0,0]=3 1506 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,1,0,0,0|1,0,0]=3 1507 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,1,0,0,0|1,0,0]=3 1508 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,1,0,0,0|2,0,0]=4 1509 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,1,0,0,0|2,0,0]=4 1510 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,1,0,0,0|1,0,0]=3 1511 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,1,0,0,0|2,0,0]=4 1512 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,1,0,0,0|2,0,0]=4 1513 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,1,0,0,0|1,0,0]=3 1514 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,1,0,0,0|1,0,0]=3 1515 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,1,0,0,0|1,0,0]=3 1516 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 1517 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 1518 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,1,0,0,0|1,0,0]=3 1519 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 1520 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,1,0,0,0|1,0,0]=3 1521 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,1,0,0,0|0,0,0]=2 1522 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,1,0,0,0|0,0,0]=2 1523 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,1,0,0,0|2,0,0]=4 1524 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,1,0,0,0|1,1,0]=4 1525 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,1,0,0,0|1,1,0]=4 1526 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,1,0,0,0|1,1,0]=4 1527 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,1,0,0,0|1,1,0]=4 1528 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,1,0,0,0|1,1,0]=4 1529 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,1,0,0,0|1,1,0]=4 1530 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,1,0,0,0|1,1,0]=4 1531 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,1,0,0,0|1,1,0]=4 1532 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,1,0,0,0|1,1,0]=4 1533 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,1,0,0,0|1,1,0]=4 1534 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,1,0,0,0|0,1,0]=3 1535 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,1,0,0,0|0,1,0]=3 1536 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,1,0,0,0|2,0,0]=4 1537 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,1,0,0,0|2,0,0]=4 1538 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,1,0,0,0|2,0,0]=4 1539 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,1,0,0,0|2,0,0]=4 1540 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,1,0,0,0|2,0,0]=4 1541 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,1,0,0,0|2,0,0]=4 1542 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,1,0,0,0|2,0,0]=4 1543 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,1,0,0,0|1,0,0]=3 1544 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,1,0,0,0|1,1,0]=4 1545 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,1,0,0,0|1,1,0]=4 1546 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,1,0,0,0|2,0,0]=4 1547 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,1,0,0,0|2,0,0]=4 1548 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,1,0,0,0|2,0,0]=4 1549 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,1,0,0,0|2,0,0]=4 1550 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,1,0,0,0|2,0,0]=4 1551 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,1,0,0,0|2,0,0]=4 1552 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,1,0,0,0|2,0,0]=4 1553 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,1,0,0,0|2,0,0]=4 1554 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,1,1,0,0,0|2,0,0]=4 1555 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,1,1,0,0,0|2,0,0]=4 1556 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,1,1,0,0,0|2,0,0]=4 1557 B8R0.12 CC(C)(OCF)C(=O)N 34a_100011626353_100015361967 [0,1,1,0,0,0|2,0,0]=4 1558 B8R0.12 CC(C)(OCF)C(=O)N 7a_100011626353_100015361967 [0,1,1,0,0,0|2,0,0]=4 1559 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,1,1,0,0,0|1,0,0]=3 1560 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,1,0,0,0|2,0,0]=4 1561 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,1,0,0,0|2,0,0]=4 1562 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,1,1,0,0,0|2,0,0]=4 1563 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,1,1,0,0,0|2,0,0]=4 1564 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,1,1,0,0,0|2,0,0]=4 1565 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,1,0,0,0|1,0,0]=3 1566 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,1,0,0,0|1,0,0]=3 1567 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,1,0,0,0|1,0,0]=3 1568 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,1,0,0,0|1,0,0]=3 1569 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,1,0,0,0|1,0,0]=3 1570 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,1,0,0,0|1,0,0]=3 1571 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,1,0,0,0|1,0,0]=3 1572 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,1,1,0,0,0|1,0,1]=4 1573 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,1,0,0,0|1,1,0]=4 1574 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,1,0,0,0|1,1,0]=4 1575 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,1,1,0,0,0|1,1,0]=4 1576 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,1,1,0,0,0|1,1,0]=4 1577 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,1,1,0,0,0|2,0,0]=4 1578 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,1,1,0,0,0|2,0,0]=4 1579 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,1,1,0,0,0|1,0,0]=3 1580 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,1,1,0,0,0|2,0,0]=4 1581 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,1,1,0,0,0|1,0,1]=4 1582 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,1,0,0,0|2,0,0]=4 1583 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,1,0,0,0|2,0,0]=4 1584 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,1,0,0,0|2,0,0]=4 1585 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,1,1,0,0,0|1,0,0]=3 1586 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,1,1,0,0,0|1,0,0]=3 1587 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,1,1,0,0,0|1,0,0]=3 1588 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,1,1,0,0,0|1,0,0]=3 1589 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,1,1,0,0,0|2,0,0]=4 1590 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,1,1,0,0,0|2,0,0]=4 1591 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,1,1,0,0,0|1,0,0]=3 1592 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,1,1,0,0,0|2,0,0]=4 1593 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,1,1,0,0,0|2,0,0]=4 1594 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,1,1,0,0,0|1,0,0]=3 1595 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,1,1,0,0,0|2,0,0]=4 1596 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,1,1,0,0,0|2,0,0]=4 1597 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,1,1,0,0,0|2,0,0]=4 1598 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,1,1,0,0,0|1,0,0]=3 1599 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,1,1,0,0,0|2,0,0]=4 1600 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,1,1,0,0,0|2,0,0]=4 1601 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,1,1,0,0,0|1,0,0]=3 1602 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,1,1,0,0,0|1,0,0]=3 1603 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,1,1,0,0,0|1,1,0]=4 1604 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,1,1,0,0,0|1,1,0]=4 1605 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,1,1,0,0,0|2,0,0]=4 1606 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,1,1,0,0,0|2,0,0]=4 1607 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,1,1,0,0,0|2,0,0]=4 1608 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,1,1,0,0,0|2,0,0]=4 1609 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,1,1,0,0,0|2,0,0]=4 1610 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,1,1,0,0,0|2,0,0]=4 1611 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,1,1,0,0,0|2,0,0]=4 1612 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,1,1,0,0,0|2,0,0]=4 1613 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,1,0,0,0|2,0,0]=4 1614 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,1,0,0,0|2,0,0]=4 1615 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,1,0,0,0|1,0,0]=3 1616 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,1,0,0,0|1,1,0]=4 1617 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,1,0,0,0|1,1,0]=4 1618 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,1,0,0,0|1,0,1]=4 1619 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,1,0,0,0|1,0,1]=4 1620 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,1,0,0,0|1,0,1]=4 1621 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,1,0,0,0|1,0,0]=3 1622 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,1,0,0,0|1,0,0]=3 1623 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,1,0,0,0|2,0,0]=4 1624 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,1,0,0,0|2,0,0]=4 1625 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,1,0,0,0|1,0,0]=3 1626 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,1,0,0,0|2,0,0]=4 1627 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,1,0,0,0|2,0,0]=4 1628 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,1,0,0,0|1,0,0]=3 1629 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,1,0,0,0|2,0,0]=4 1630 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,1,0,0,0|1,0,1]=4 1631 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,1,0,0,0|0,0,1]=3 1632 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,1,0,0,0|1,0,0]=3 1633 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,1,0,0,0|1,0,0]=3 1634 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,1,0,0,0|1,1,0]=4 1635 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,1,0,0,0|1,1,0]=4 1636 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,1,1,0,0,0|1,1,0]=4 1637 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,1,1,0,0,0|1,1,0]=4 1638 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,1,0,0,0|1,0,0]=3 1639 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,1,0,0,0|1,0,0]=3 1640 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,1,1,0,0,0|2,0,0]=4 1641 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,1,1,0,0,0|2,0,0]=4 1642 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,1,1,0,0,0|2,0,0]=4 1643 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,1,1,0,0,0|2,0,0]=4 1644 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,1,1,0,0,0|2,0,0]=4 1645 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1646 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1647 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1648 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1649 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,1,0,0,0|2,0,0]=4 1650 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,1,0,0,0|2,0,0]=4 1651 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,1,0,0,0|2,0,0]=4 1652 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,1,0,0,0|2,0,0]=4 1653 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,1,0,0,0|1,0,0]=3 1654 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,1,0,0,0|1,0,0]=3 1655 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,1,1,0,0,0|2,0,0]=4 1656 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,1,0,0,0|1,0,0]=3 1657 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,1,1,0,0,0|1,1,0]=4 1658 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,1,1,0,0,0|1,1,0]=4 1659 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,1,1,0,0,0|2,0,0]=4 1660 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,1,1,0,0,0|2,0,0]=4 1661 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,1,1,0,0,0|2,0,0]=4 1662 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,1,1,0,0,0|2,0,0]=4 1663 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,1,1,0,0,0|2,0,0]=4 1664 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,1,1,0,0,0|1,0,0]=3 1665 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,1,1,0,0,0|1,0,0]=3 1666 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,1,1,0,0,0|1,0,0]=3 1667 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,1,1,0,0,0|1,0,0]=3 1668 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,1,1,0,0,0|1,0,0]=3 1669 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,1,1,0,0,0|2,0,0]=4 1670 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,1,1,0,0,0|2,0,0]=4 1671 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,1,1,0,0,0|1,0,0]=3 1672 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,1,1,0,0,0|2,0,0]=4 1673 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1674 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1675 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1676 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,1,1,0,0,0|1,0,0]=3 1677 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,1,1,0,0,0|1,0,0]=3 1678 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,1,1,0,0,0|1,0,0]=3 1679 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,1,1,0,0,0|1,0,0]=3 1680 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,1,1,0,0,0|1,0,0]=3 1681 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,1,1,0,0,0|1,0,0]=3 1682 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,1,1,0,0,0|1,0,0]=3 1683 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,1,1,0,0,0|1,0,0]=3 1684 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,1,1,0,0,0|0,0,0]=2 1685 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,1,1,0,0,0|0,0,0]=2 1686 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,1,1,0,0,0|0,0,0]=2 1687 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,1,1,0,0,0|0,0,0]=2 1688 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,1,1,0,0,0|0,0,0]=2 1689 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,1,1,0,0,0|0,1,0]=3 1690 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,1,1,0,0,0|0,1,0]=3 1691 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,1,1,0,0,0|0,1,0]=3 1692 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,1,1,0,0,0|0,1,0]=3 1693 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,1,1,0,0,0|2,0,0]=4 1694 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,1,1,0,0,0|2,0,0]=4 1695 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,1,1,0,0,0|2,0,0]=4 1696 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,1,1,0,0,0|2,0,0]=4 1697 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,1,1,0,0,0|2,0,0]=4 1698 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,1,1,0,0,0|2,0,0]=4 1699 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [0,1,1,0,0,0|2,0,0]=4 1700 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [0,1,1,0,0,0|2,0,0]=4 1701 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [0,1,1,0,0,0|2,0,0]=4 1702 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,1,1,0,0,0|2,0,0]=4 1703 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,1,1,0,0,0|1,0,0]=3 1704 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,1,1,0,0,0|1,0,1]=4 1705 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,1,1,0,0,0|1,0,0]=3 1706 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,1,1,0,0,0|1,0,0]=3 1707 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,1,1,0,0,0|1,0,0]=3 1708 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,1,1,0,0,0|1,1,0]=4 1709 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,1,1,0,0,0|1,1,0]=4 1710 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,1,1,0,0,0|1,1,0]=4 1711 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,1,1,0,0,0|1,1,0]=4 1712 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,1,1,0,0,0|1,0,0]=3 1713 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,1,1,0,0,0|1,0,0]=3 1714 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,1,1,0,0,0|1,0,0]=3 1715 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,1,1,0,0,0|1,0,0]=3 1716 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,1,1,0,0,0|1,0,0]=3 1717 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,1,1,0,0,0|1,0,0]=3 1718 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,1,1,0,0,0|1,0,0]=3 1719 B8R0.20 COC(OC)C(=O)CF 1458a_100000046285_100015361967 [0,1,1,0,0,0|2,0,0]=4 1720 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,1,1,0,0,0|2,0,0]=4 1721 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,1,1,0,0,0|2,0,0]=4 1722 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,1,1,0,0,0|2,0,0]=4 1723 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,1,1,0,0,0|1,0,0]=3 1724 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,1,1,0,0,0|1,0,0]=3 1725 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,1,0,0,0,0|1,0,1]=4 1726 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,1,0,0,0,0|1,0,1]=4 1727 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,1,0,0,0,0|1,0,1]=4 1728 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,1,0,0,0,0|1,0,1]=4 1729 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,1,0,0,0,0|1,0,1]=4 1730 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1731 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,1,0,0,0,0|1,0,1]=4 1732 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1733 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,1,0,0,0,0|0,0,1]=3 1734 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,1,0,0,0,0|0,0,1]=3 1735 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [1,1,0,0,0,0|1,0,1]=4 1736 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [1,1,0,0,0,0|1,0,1]=4 1737 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [1,1,0,0,0,0|1,0,1]=4 1738 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 1739 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,1,0,0,0,0|0,1,1]=4 1740 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,1,0,0,0,0|0,1,1]=4 1741 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [1,1,0,0,0,0|1,0,1]=4 1742 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,1,0,0,0,0|2,0,0]=4 1743 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,1,0,0,0,0|2,0,0]=4 1744 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,1,0,0,0,0|1,0,1]=4 1745 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,1,0,0,0,0|1,0,1]=4 1746 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1747 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1748 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,1,0,0,0,0|0,0,1]=3 1749 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,1,0,0,0,0|0,0,1]=3 1750 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [1,1,0,0,0,0|1,0,1]=4 1751 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [1,1,0,0,0,0|1,0,1]=4 1752 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1753 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,1,0,0,0,0|0,1,1]=4 1754 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,1,0,0,0,0|0,1,1]=4 1755 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 1756 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 1757 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 1758 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1759 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1760 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1761 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,0,1,0|1,0,1]=4 1762 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,0,1,0|1,0,1]=4 1763 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,0,1,0|1,0,0]=3 1764 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,0,1,0|1,0,0]=3 1765 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,1,0,0,1,0|2,0,0]=4 1766 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,0,1,0|2,0,0]=4 1767 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,0,1,0|2,0,0]=4 1768 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,0,1,0|2,0,0]=4 1769 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,0,1,0|2,0,0]=4 1770 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,0,1,0|2,0,0]=4 1771 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,0,1,0|2,0,0]=4 1772 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,0,1,0|2,0,0]=4 1773 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,0,1,0|2,0,0]=4 1774 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,0,1,0|2,0,0]=4 1775 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,0,1,0|1,0,0]=3 1776 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,0,1,0|1,0,0]=3 1777 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,1,0,0,1,0|2,0,0]=4 1778 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,1,0,0,1,0|2,0,0]=4 1779 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,0,1,0|1,0,0]=3 1780 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,0,1,0|1,0,0]=3 1781 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,1,0,0,1,0|2,0,0]=4 1782 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,0,1,0|1,0,1]=4 1783 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,0,1,0|2,0,0]=4 1784 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,0,1,0|2,0,0]=4 1785 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,0,1,0|2,0,0]=4 1786 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,0,1,0|1,0,0]=3 1787 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,0,1,0|1,0,0]=3 1788 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,0,1,0|1,0,0]=3 1789 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,1,0,0,1,0|2,0,0]=4 1790 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,0,1,0|1,0,0]=3 1791 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,1,0,0,1,0|2,0,0]=4 1792 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,1,0,0,1,0|2,0,0]=4 1793 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,0,1,0|1,0,1]=4 1794 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,0,1,0|1,0,1]=4 1795 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,0,1,0|1,0,0]=3 1796 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,0,1,0|1,0,0]=3 1797 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,0,1,0|1,0,0]=3 1798 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,0,1,0|2,0,0]=4 1799 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,0,1,0|2,0,0]=4 1800 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 1801 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 1802 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 1803 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,0,1,0|1,0,0]=3 1804 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,0,1,0|1,0,0]=3 1805 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,0,1,0|1,0,0]=3 1806 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,0,1,0|1,0,0]=3 1807 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,0,1,0|1,0,0]=3 1808 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,0,1,0|1,0,0]=3 1809 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,0,1,0|1,0,0]=3 1810 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,0,1,0|1,0,0]=3 1811 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,0,1,0|2,0,0]=4 1812 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,0,1,0|2,0,0]=4 1813 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,0,1,0|2,0,0]=4 1814 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,0,1,0|2,0,0]=4 1815 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,0,1,0|2,0,0]=4 1816 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,0,1,0|2,0,0]=4 1817 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,0,1,0|1,0,1]=4 1818 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,0,1,0|1,0,1]=4 1819 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,0,1,0|1,0,0]=3 1820 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,0,1,0|1,0,0]=3 1821 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,0,1,0|2,0,0]=4 1822 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,0,1,0|0,0,0]=2 1823 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,0,1,0|1,0,0]=3 1824 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,0,1,0|1,0,0]=3 1825 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,0,1,0|1,0,0]=3 1826 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,0,1,0|1,0,0]=3 1827 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,0,1,0|1,0,0]=3 1828 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,1,0,0,1,0|2,0,0]=4 1829 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,0,1,0|2,0,0]=4 1830 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,0,1,0|1,0,0]=3 1831 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,1,0,0,1,0|2,0,0]=4 1832 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,0,1,0|1,0,0]=3 1833 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,0,1,0|2,0,0]=4 1834 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,1,0,0,0,1|2,0,0]=4 1835 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,1,0,0,0,1|2,0,0]=4 1836 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,0,0,1|2,0,0]=4 1837 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,0,0,1|2,0,0]=4 1838 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,0,0,1|2,0,0]=4 1839 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,0,0,1|2,0,0]=4 1840 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1841 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1842 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1843 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,0,0,1|1,0,0]=3 1844 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,0,0,1|2,0,0]=4 1845 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,0,0,1|2,0,0]=4 1846 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,0,0,1|2,0,0]=4 1847 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1848 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1849 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1850 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,0,0,1|1,0,0]=3 1851 B10R1.15 C#CC(=O)C1C=CCCC1 1458a_100000211873_100000751183 [0,1,0,0,0,1|2,0,0]=4 1852 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,0,0,1|2,0,0]=4 1853 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,0,0,1|1,0,0]=3 1854 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,0,0,1|2,0,0]=4 1855 B10R1.15 C=CC(=O)C1C=CCCC1 1458a_100000185746_100000751183 [0,1,0,0,0,1|2,0,0]=4 1856 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,0,0,1|2,0,0]=4 1857 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,0,0,1|1,0,0]=3 1858 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,0,0,1|2,0,0]=4 1859 B10R1.15 C=CC(=O)N1CCCOC1 240690a_100000131196_200121576911 [0,1,0,0,0,1|2,0,0]=4 1860 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,0,0,1|1,0,1]=4 1861 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,0,0,1|1,0,1]=4 1862 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,0,0,1|2,0,0]=4 1863 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,0,0,1|2,0,0]=4 1864 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,0,0,1|2,0,0]=4 1865 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,0,0,1|1,0,0]=3 1866 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,0,0,1|1,0,0]=3 1867 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,0,0,1|1,0,0]=3 1868 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,0,0,1|2,0,0]=4 1869 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,0,0,1|2,0,0]=4 1870 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,0,0,1|2,0,0]=4 1871 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,0,0,1|1,0,0]=3 1872 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,1,0,0,0,1|1,1,0]=4 1873 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,1,0,0,0,1|2,0,0]=4 1874 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,1,0,0,0,1|2,0,0]=4 1875 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,1,0,0,0,1|1,0,1]=4 1876 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,1,0,0,0,1|1,0,1]=4 1877 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,1,0,0,0,1|1,0,1]=4 1878 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,1,0,0,0,1|1,0,1]=4 1879 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,1,0,0,0,1|1,0,1]=4 1880 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,1,0,0,0,1|1,0,1]=4 1881 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,0,0,1|2,0,0]=4 1882 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,0,0,1|2,0,0]=4 1883 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,0,0,1|2,0,0]=4 1884 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,0,0,1|2,0,0]=4 1885 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,0,0,1|1,0,0]=3 1886 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,0,0,1|1,0,0]=3 1887 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,0,0,1|1,0,0]=3 1888 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,0,0,1|1,0,0]=3 1889 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,0,0,1|1,0,0]=3 1890 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,0,0,1|1,0,0]=3 1891 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,0,0,1|1,0,0]=3 1892 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,0,0,1|1,0,0]=3 1893 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,0,0,1|2,0,0]=4 1894 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,0,0,1|2,0,0]=4 1895 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,0,0,1|2,0,0]=4 1896 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,0,0,1|2,0,0]=4 1897 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,0,0,1|2,0,0]=4 1898 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1899 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1900 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1901 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,0,0,1|1,0,0]=3 1902 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,0,0,1|1,0,0]=3 1903 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,0,0,1|1,0,0]=3 1904 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,0,0,1|1,0,0]=3 1905 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,1,0,0,0,1|1,1,0]=4 1906 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,1,0,0,0,1|1,1,0]=4 1907 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,1,0,0,0,1|1,1,0]=4 1908 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,1,0,0,0,1|1,1,0]=4 1909 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,1,0,0,0,1|2,0,0]=4 1910 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,1,0,0,0,1|2,0,0]=4 1911 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,1,0,0,0,1|1,0,1]=4 1912 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,1,0,0,0,1|1,0,1]=4 1913 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,0,0,1|2,0,0]=4 1914 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,0,0,1|1,0,0]=3 1915 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,0,0,1|1,0,0]=3 1916 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,0,0,1|2,0,0]=4 1917 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,0,0,1|2,0,0]=4 1918 B10R1.15 O=C(CF)C1COCCO1 1458a_100000045528_100015361967 [0,1,0,0,0,1|1,0,0]=3 1919 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,1,0,0,0,1|1,1,0]=4 1920 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,0,0,1|1,0,0]=3 1921 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,1|1,0,0]=3 1922 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,0,0,1|0,0,0]=2 1923 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,0,0,1|1,0,0]=3 1924 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,0,0,1|1,0,0]=3 1925 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,0,0,1|2,0,0]=4 1926 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,0,0,1|2,0,0]=4 1927 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,0,0,1|2,0,0]=4 1928 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,0,0,1|2,0,0]=4 1929 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,0,0,1|2,0,0]=4 1930 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,0,0,1|2,0,0]=4 1931 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,0,0,1|2,0,0]=4 1932 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,0,0,1|2,0,0]=4 1933 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,0,0,1|2,0,0]=4 1934 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,0,0,1|1,0,1]=4 1935 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,0,0,1|2,0,0]=4 1936 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,0,0,1|2,0,0]=4 1937 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,0,0,1|2,0,0]=4 1938 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,0,0,1|2,0,0]=4 1939 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,0,0,1|2,0,0]=4 1940 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,0,0,1|1,0,0]=3 1941 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,0,0,1|2,0,0]=4 1942 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,0,0,1|1,0,0]=3 1943 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,0,0,1|1,0,0]=3 1944 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,0,0,1|1,0,0]=3 1945 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,0,0,1|2,0,0]=4 1946 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,0,0,1|2,0,0]=4 1947 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,0,0,1|2,0,0]=4 1948 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,0,0,1|2,0,0]=4 1949 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,0,0,1|2,0,0]=4 1950 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,0,0,1|1,0,0]=3 1951 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,0,0,1|1,0,0]=3 1952 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,0,0,1|1,0,0]=3 1953 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,0,0,1|1,0,0]=3 1954 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,0,0,1|2,0,0]=4 1955 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,0,0,1|2,0,0]=4 1956 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,0,0,1|2,0,0]=4 1957 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,1,0,0,0,1|1,0,0]=3 1958 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,0,0,1|2,0,0]=4 1959 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,0,0,1|2,0,0]=4 1960 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,0,0,1|2,0,0]=4 1961 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,0,0,1|2,0,0]=4 1962 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,0,0,1|2,0,0]=4 1963 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,0,0,1|2,0,0]=4 1964 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,1,0,0,0,1|1,0,0]=3 1965 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,1,0,0,0,1|1,0,0]=3 1966 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,1,0,0,0,1|1,0,0]=3 1967 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,0,0,1|2,0,0]=4 1968 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,0,0,1|2,0,0]=4 1969 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1970 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1971 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1972 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,1,0,0,0,1|1,0,0]=3 1973 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,1,0,0,0,1|1,0,0]=3 1974 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,0,0,1|2,0,0]=4 1975 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,0,0,1|2,0,0]=4 1976 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,0,0,1|2,0,0]=4 1977 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,0,0,1|2,0,0]=4 1978 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,0,0,1|2,0,0]=4 1979 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,0,0,1|2,0,0]=4 1980 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,0,0,1|2,0,0]=4 1981 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,0,0,1|2,0,0]=4 1982 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,0,0,1|2,0,0]=4 1983 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,0,0,1|2,0,0]=4 1984 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,0,0,1|2,0,0]=4 1985 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,0,0,1|2,0,0]=4 1986 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,0,0,1|2,0,0]=4 1987 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,0,0,1|2,0,0]=4 1988 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,0,0,1|2,0,0]=4 1989 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,0,0,1|2,0,0]=4 1990 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,1,0,0,0,1|2,0,0]=4 1991 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,0,0,1|1,0,0]=3 1992 B10R1.27 C#CC(=O)CC1OCCO1 1458a_100000211873_100000755774 [0,1,0,0,0,1|2,0,0]=4 1993 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,0,0,1|2,0,0]=4 1994 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,0,0,1|1,0,0]=3 1995 B10R1.27 C=CC(=O)CC1OCCO1 1458a_100000185746_100000755774 [0,1,0,0,0,1|2,0,0]=4 1996 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,1,0,0,0,1|2,0,0]=4 1997 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,1,0,0,0,1|2,0,0]=4 1998 B10R1.27 CC(CO)OC1CCCO1 34a_100000085407_100012180447 [0,1,0,0,0,1|1,0,1]=4 1999 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,0,0,1|2,0,0]=4 2000 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,0,0,1|2,0,0]=4 2001 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,0,0,1|1,0,0]=3 2002 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,1,0,0,0,1|2,0,0]=4 2003 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,0,0,1|2,0,0]=4 2004 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,0,0,1|2,0,0]=4 2005 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,0,0,1|2,0,0]=4 2006 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,0,0,1|2,0,0]=4 2007 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,0,0,1|2,0,0]=4 2008 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,0,0,1|2,0,0]=4 2009 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,0,0,1|2,0,0]=4 2010 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,0,0,1|2,0,0]=4 2011 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,0,0,1|2,0,0]=4 2012 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,0,0,1|2,0,0]=4 2013 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,0,0,1|2,0,0]=4 2014 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,0,0,1|2,0,0]=4 2015 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,0,0,1|2,0,0]=4 2016 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,0,0,1|2,0,0]=4 2017 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,0,0,1|2,0,0]=4 2018 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,0,0,1|2,0,0]=4 2019 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,0,0,1|2,0,0]=4 2020 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,0,0,1|1,0,0]=3 2021 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,0,0,1|0,0,0]=2 2022 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,0,0,1|2,0,0]=4 2023 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,1,0,0,0,1|1,0,0]=3 2024 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,0,0,1|1,0,0]=3 2025 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,0,0,1|1,0,0]=3 2026 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,1,0,0,0,1|2,0,0]=4 2027 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,1,0,0,0,1|2,0,0]=4 2028 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,1,0,0,0,1|2,0,0]=4 2029 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,1,0,0,0,1|2,0,0]=4 2030 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,1,0,0,0,1|2,0,0]=4 2031 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,1,0,0,0,1|2,0,0]=4 2032 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,1,0,0,0,1|2,0,0]=4 2033 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,1,0,0,0,1|2,0,0]=4 2034 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,0,0,1|2,0,0]=4 2035 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,0,0,1|2,0,0]=4 2036 B10R1.370 CC(=O)CC1(OCCO1)C 1458a_100000137474_200000210301 [0,1,0,0,0,1|2,0,0]=4 2037 B10R1.370 CC1(OCCO1)CC(=O)[13CH3] 1458a_100000137474_200025704644 [0,1,0,0,0,1|2,0,0]=4 2038 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,2,0,0,0,0|2,0,0]=4 2039 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,2,0,0,0,0|2,0,0]=4 2040 B10R1.11 C#CCC(=O)C1CCCS1 1458a_100012002731_100000184674 [0,2,0,0,0,0|1,1,0]=4 2041 B10R1.11 C#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000184674 [0,2,0,0,0,0|1,0,0]=3 2042 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,2,0,0,0,0|2,0,0]=4 2043 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,2,0,0,0,0|2,0,0]=4 2044 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,2,0,0,0,0|1,1,0]=4 2045 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [0,2,0,0,0,0|1,0,0]=3 2046 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,2,0,0,0,0|2,0,0]=4 2047 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,2,0,0,0,0|2,0,0]=4 2048 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,2,0,0,0,0|2,0,0]=4 2049 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,2,0,0,0,0|2,0,0]=4 2050 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,2,0,0,0,0|1,1,0]=4 2051 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,2,0,0,0,0|1,0,0]=3 2052 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,2,0,0,0,0|2,0,0]=4 2053 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,2,0,0,0,0|2,0,0]=4 2054 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,2,0,0,0,0|2,0,0]=4 2055 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,2,0,0,0,0|1,1,0]=4 2056 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,2,0,0,0,0|1,1,0]=4 2057 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,2,0,0,0,0|1,1,0]=4 2058 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,2,0,0,0,0|1,0,0]=3 2059 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,2,0,0,0,0|1,0,0]=3 2060 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,2,0,0,0,0|1,0,0]=3 2061 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,2,0,0,0,0|2,0,0]=4 2062 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,2,0,0,0,0|1,1,0]=4 2063 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,2,0,0,0,0|1,0,0]=3 2064 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,2,0,0,0,0|1,0,0]=3 2065 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,2,0,0,0,0|2,0,0]=4 2066 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,2,0,0,0,0|2,0,0]=4 2067 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,2,0,0,0,0|2,0,0]=4 2068 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,2,0,0,0,0|2,0,0]=4 2069 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,2,0,0,0,0|2,0,0]=4 2070 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,2,0,0,0,0|1,1,0]=4 2071 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,2,0,0,0,0|2,0,0]=4 2072 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,2,0,0,0,0|2,0,0]=4 2073 B10R1.11 N#CCC(=O)C1CCCS1 1458a_100012002731_100011214920 [0,2,0,0,0,0|1,1,0]=4 2074 B10R1.11 N#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011214920 [0,2,0,0,0,0|1,0,0]=3 2075 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,2,0,0,0,0|2,0,0]=4 2076 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,2,0,0,0,0|2,0,0]=4 2077 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,2,0,0,0,0|2,0,0]=4 2078 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,2,0,0,0,0|2,0,0]=4 2079 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,2,0,0,0,0|1,1,0]=4 2080 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,2,0,0,0,0|1,0,0]=3 2081 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,2,0,0,0,0|1,0,1]=4 2082 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,2,0,0,0,0|1,0,0]=3 2083 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,2,0,0,0,0|1,0,0]=3 2084 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,2,0,0,0,0|0,1,0]=3 2085 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,2,0,0,0,0|2,0,0]=4 2086 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,2,0,0,0,0|2,0,0]=4 2087 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,2,0,0,0,0|2,0,0]=4 2088 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,2,0,0,0,0|0,0,0]=2 2089 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,2,0,0,0,0|2,0,0]=4 2090 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,2,0,0,0,0|2,0,0]=4 2091 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,2,0,0,0,0|1,0,1]=4 2092 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,2,0,0,0,0|2,0,0]=4 2093 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,2,0,0,0,0|2,0,0]=4 2094 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,2,0,0,0,0|1,0,1]=4 2095 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,2,0,0,0,0|1,0,1]=4 2096 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,2,0,0,0,0|1,0,1]=4 2097 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,2,0,0,0,0|1,0,1]=4 2098 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,2,0,0,0,0|2,0,0]=4 2099 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,2,0,0,0,0|2,0,0]=4 2100 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,2,0,0,0,0|2,0,0]=4 2101 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,2,0,0,0,0|2,0,0]=4 2102 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,2,0,0,0,0|2,0,0]=4 2103 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,2,0,0,0,0|2,0,0]=4 2104 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,2,0,0,0,0|2,0,0]=4 2105 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,2,0,0,0,0|2,0,0]=4 2106 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,2,0,0,0,0|2,0,0]=4 2107 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,2,0,0,0,0|2,0,0]=4 2108 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,2,0,0,0,0|2,0,0]=4 2109 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,2,0,0,0,0|1,0,1]=4 2110 B10R1.149 C#CC(=O)C1CCCC1=O 1458a_100000211873_100000211823 [0,2,0,0,0,0|2,0,0]=4 2111 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [0,2,0,0,0,0|2,0,0]=4 2112 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,2,0,0,0,0|2,0,0]=4 2113 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,2,0,0,0,0|2,0,0]=4 2114 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,2,0,0,0,0|2,0,0]=4 2115 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,2,0,0,0,0|2,0,0]=4 2116 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,2,0,0,0,0|2,0,0]=4 2117 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,2,0,0,0,0|2,0,0]=4 2118 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,2,0,0,0,0|2,0,0]=4 2119 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,2,0,0,0,0|2,0,0]=4 2120 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,2,0,0,0,0|2,0,0]=4 2121 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,2,0,0,0,0|2,0,0]=4 2122 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,2,0,0,0,0|2,0,0]=4 2123 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,2,0,0,0,0|2,0,0]=4 2124 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,2,0,0,0,0|2,0,0]=4 2125 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,2,0,0,0,0|2,0,0]=4 2126 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,2,0,0,0,0|2,0,0]=4 2127 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,2,0,0,0,0|2,0,0]=4 2128 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,2,0,0,0,0|2,0,0]=4 2129 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,2,0,0,0,0|2,0,0]=4 2130 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,2,0,0,0,0|2,0,0]=4 2131 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,2,0,0,0,0|2,0,0]=4 2132 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,2,0,0,0,0|1,1,0]=4 2133 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,2,0,0,0,0|1,1,0]=4 2134 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,2,0,0,0,0|1,1,0]=4 2135 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,2,0,0,0,0|1,1,0]=4 2136 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,2,0,0,0,0|1,0,0]=3 2137 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,2,0,0,0,0|1,0,0]=3 2138 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,2,0,0,0,0|1,0,0]=3 2139 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,2,0,0,0,0|1,0,0]=3 2140 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,2,0,0,0,0|2,0,0]=4 2141 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,2,0,0,0,0|2,0,0]=4 2142 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,2,0,0,0,0|2,0,0]=4 2143 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,2,0,0,0,0|2,0,0]=4 2144 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,2,0,0,0,0|1,0,0]=3 2145 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,2,0,0,0,0|2,0,0]=4 2146 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,2,0,0,0,0|2,0,0]=4 2147 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [0,2,0,0,0,0|1,0,0]=3 2148 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,2,0,0,0,0|2,0,0]=4 2149 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,2,0,0,0,0|2,0,0]=4 2150 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,2,0,0,0,0|1,0,0]=3 2151 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,2,0,0,0,0|2,0,0]=4 2152 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,2,0,0,0,0|2,0,0]=4 2153 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,2,0,0,0,0|2,0,0]=4 2154 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,2,0,0,0,0|2,0,0]=4 2155 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,2,0,0,0,0|2,0,0]=4 2156 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,2,0,0,0,0|2,0,0]=4 2157 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,2,0,0,0,0|1,0,0]=3 2158 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,2,0,0,0,0|1,0,0]=3 2159 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,2,0,0,0,0|1,0,0]=3 2160 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,2,0,0,0,0|1,0,0]=3 2161 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,2,0,0,0,0|2,0,0]=4 2162 B10R1.31 CN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200000210301 [0,2,0,0,0,0|1,0,1]=4 2163 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,2,0,0,0,0|1,0,0]=3 2164 B10R1.31 [13CH3]N[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200025704644 [0,2,0,0,0,0|1,0,1]=4 2165 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,2,0,0,0,0|1,0,0]=3 2166 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,2,0,0,0,0|2,0,0]=4 2167 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [0,2,0,0,0,0|2,0,0]=4 2168 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [0,2,0,0,0,0|2,0,0]=4 2169 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,2,0,0,0,0|2,0,0]=4 2170 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2171 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2172 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2173 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,2,0,0,0,0|1,0,0]=3 2174 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,2,0,0,0,0|1,0,0]=3 2175 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [0,2,0,0,0,0|2,0,0]=4 2176 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [0,2,0,0,0,0|2,0,0]=4 2177 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [0,2,0,0,0,0|2,0,0]=4 2178 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [0,2,0,0,0,0|2,0,0]=4 2179 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [0,2,0,0,0,0|2,0,0]=4 2180 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,2,0,0,0,0|1,0,0]=3 2181 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,2,0,0,0,0|1,0,0]=3 2182 B10R1.359 CC(=O)C1CCC(C1)(F)F 1458a_100000696201_200000210301 [0,2,0,0,0,0|2,0,0]=4 2183 B10R1.359 CC(=O)C1COC(O1)(C)C 1458a_100015188449_200000210301 [0,2,0,0,0,0|2,0,0]=4 2184 B10R1.359 CC1(OCC(O1)C(=O)[13CH3])C 1458a_100015188449_200025704644 [0,2,0,0,0,0|2,0,0]=4 2185 B10R1.359 [13CH3]C(=O)C1CCC(C1)(F)F 1458a_100000696201_200025704644 [0,2,0,0,0,0|2,0,0]=4 2186 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,2,0,0,0,0|2,0,0]=4 2187 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,2,0,0,0,0|2,0,0]=4 2188 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,2,0,0,0,0|2,0,0]=4 2189 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,2,0,0,0,0|1,0,0]=3 2190 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,2,0,0,0,0|1,1,0]=4 2191 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,2,0,0,0,0|2,0,0]=4 2192 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [0,2,0,0,0,0|1,1,0]=4 2193 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,2,0,0,0,0|1,0,0]=3 2194 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [0,2,0,0,0,0|2,0,0]=4 2195 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_200000210301 [0,2,0,0,0,0|2,0,0]=4 2196 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[13CH3])C 1458a_100016991750_200025704644 [0,2,0,0,0,0|2,0,0]=4 2197 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,2,0,0,0,0|1,0,0]=3 2198 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,2,0,0,0,0|1,0,0]=3 2199 B10R1.477 CC(=O)C1(CCCC1)C#N 1458a_100000209868_200000210301 [0,2,0,0,0,0|2,0,0]=4 2200 B10R1.477 CNC1(CCCC1)C(=O)N 2230a_100000755618_200000210301 [0,2,0,0,0,0|2,0,0]=4 2201 B10R1.477 CNC1(CCCC1)C(=O)N 34a_100000755618_200000210301 [0,2,0,0,0,0|2,0,0]=4 2202 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,2,0,0,0,0|1,0,0]=3 2203 B10R1.477 [13CH3]C(=O)C1(CCCC1)C#N 1458a_100000209868_200025704644 [0,2,0,0,0,0|2,0,0]=4 2204 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 2230a_100000755618_200025704644 [0,2,0,0,0,0|2,0,0]=4 2205 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 34a_100000755618_200025704644 [0,2,0,0,0,0|2,0,0]=4 2206 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,2,0,0,0,0|1,0,0]=3 2207 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,1,1,0,0|2,0,0]=4 2208 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,1,1,0,0|2,0,0]=4 2209 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,1,1,0,0|1,0,0]=3 2210 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,1,1,0,0|2,0,0]=4 2211 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,1,1,0,0|1,0,1]=4 2212 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,1,1,0,0|2,0,0]=4 2213 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,1,1,0,0|2,0,0]=4 2214 B8R1.35 C=C(F)COC1CC1 34a_200010262243_100000211595 [0,0,1,1,0,0|2,0,0]=4 2215 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,1,1,0,0|2,0,0]=4 2216 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,1,1,0,0|2,0,0]=4 2217 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,1,1,0,0|1,0,0]=3 2218 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,1,1,0,0|1,0,0]=3 2219 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,1,1,0,0|2,0,0]=4 2220 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,1,1,0,0|1,1,0]=4 2221 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|1,0,0]=3 2222 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,1,1,0,0|1,0,1]=4 2223 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,1,1,0,0|0,1,1]=4 2224 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,1,1,0,0|2,0,0]=4 2225 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [0,0,1,1,0,0|1,0,1]=4 2226 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [0,0,1,1,0,0|1,0,1]=4 2227 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,1,1,0,0|2,0,0]=4 2228 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,1,1,0,0|2,0,0]=4 2229 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,1,1,0,0|1,0,0]=3 2230 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,1,1,0,0|1,1,0]=4 2231 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,1,1,0,0|1,1,0]=4 2232 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,0,1,1,0,0|1,1,0]=4 2233 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,0,1,1,0,0|1,1,0]=4 2234 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,0,1,1,0,0|2,0,0]=4 2235 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,0,1,1,0,0|2,0,0]=4 2236 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,0,1,1,0,0|2,0,0]=4 2237 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,0,1,1,0,0|1,0,0]=3 2238 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,0,1,1,0,0|1,0,0]=3 2239 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,0,1,1,0,0|1,0,0]=3 2240 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,0,1,1,0,0|1,0,0]=3 2241 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,0,1,1,0,0|1,1,0]=4 2242 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,0,1,1,0,0|1,1,0]=4 2243 B8R1.63 CSC1(CC1)C(=O)N 62a_100010760883_200000210301 [0,0,1,1,0,0|1,1,0]=4 2244 B8R1.63 CSC1(CC1)C(=O)N 62a_200000210301_100010760883 [0,0,1,1,0,0|1,1,0]=4 2245 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,0,1,1,0,0|2,0,0]=4 2246 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,0,1,1,0,0|1,0,0]=3 2247 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_100010760883_200025704644 [0,0,1,1,0,0|1,1,0]=4 2248 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_200025704644_100010760883 [0,0,1,1,0,0|1,1,0]=4 2249 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,1,0,1|2,0,0]=4 2250 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,1,0,1|2,0,0]=4 2251 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,0,1,0|2,0,0]=4 2252 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,0,1,0|2,0,0]=4 2253 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,0,1,0|2,0,0]=4 2254 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,0,1,0|2,0,0]=4 2255 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,0,1,0|2,0,0]=4 2256 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,0,1,0|2,0,0]=4 2257 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,0,1,0|2,0,0]=4 2258 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,0,1,0|2,0,0]=4 2259 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,0,1,0|2,0,0]=4 2260 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,0,1,0|2,0,0]=4 2261 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,0,1,0|2,0,0]=4 2262 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,0,2,0|1,0,0]=3 2263 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,0,2,0|1,0,0]=3 2264 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,0,2,0|1,0,0]=3 2265 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,0,2,0|1,0,0]=3 2266 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,0,1,0,0,1|2,0,0]=4 2267 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,0,1,0,0,1|2,0,0]=4 2268 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,0,1,0,0,1|2,0,0]=4 2269 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,0,1,0,0,1|2,0,0]=4 2270 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,0,1,0,0,1|2,0,0]=4 2271 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,0,1,0,0,1|2,0,0]=4 2272 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,0,1,0,0,1|1,0,0]=3 2273 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,0,1,0,0,1|1,0,0]=3 2274 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,0,1,0,0,1|2,0,0]=4 2275 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,0,1,0,0,1|2,0,0]=4 2276 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,0,1,0,0,1|2,0,0]=4 2277 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,0,1,0,0,1|2,0,0]=4 2278 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,0,1,0,0,1|2,0,0]=4 2279 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,0,0,1|2,0,0]=4 2280 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,0,0,1|2,0,0]=4 2281 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,0,0,1|2,0,0]=4 2282 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,0,0,1|2,0,0]=4 2283 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,0,0,1|2,0,0]=4 2284 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,0,0,1|2,0,0]=4 2285 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,0,0,1|2,0,0]=4 2286 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,0,0,1|2,0,0]=4 2287 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,0,0,1|2,0,0]=4 2288 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,0,0,1|2,0,0]=4 2289 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,0,0,1|2,0,0]=4 2290 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,0,0,1|2,0,0]=4 2291 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,0,0,1|2,0,0]=4 2292 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,0,0,1|2,0,0]=4 2293 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,0,0,2|2,0,0]=4 2294 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,0,0,2|2,0,0]=4 2295 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,0,0,2|1,0,0]=3 2296 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,0,0,2|1,0,0]=3 2297 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,0,0,2|1,0,0]=3 2298 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,0,0,2|1,0,0]=3 2299 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,0,0,2|2,0,0]=4 2300 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,0,0,2|2,0,0]=4 2301 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,0,0,2|2,0,0]=4 2302 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,0,0,2|2,0,0]=4 2303 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,0,0,2|2,0,0]=4 2304 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,0,0,2|2,0,0]=4 2305 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,0,0,2|1,0,0]=3 2306 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,0,0,2|1,0,0]=3 2307 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,0,0,2|1,0,0]=3 2308 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,0,0,2|1,0,0]=3 2309 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,0,0,0,0,2|2,0,0]=4 2310 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,0,0,0,0,2|2,0,0]=4 2311 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,0,0,0,0,2|2,0,0]=4 2312 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,0,0,0,0,2|2,0,0]=4 2313 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 2314 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 2315 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 2316 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,0,0,2|2,0,0]=4 2317 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,0,0,0,0,2|2,0,0]=4 2318 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,0,0,0,0,2|2,0,0]=4 2319 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,0,0,0,0,2|2,0,0]=4 2320 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,0,0,0,0,2|1,0,1]=4 2321 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,0,0,0,0,2|1,0,1]=4 2322 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,0,0,2|2,0,0]=4 2323 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,0,0,2|1,0,0]=3 2324 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,0,0,2|1,0,0]=3 2325 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,0,0,2|2,0,0]=4 2326 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,0,0,2|2,0,0]=4 2327 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,0,0,2|2,0,0]=4 2328 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,0,0,2|2,0,0]=4 2329 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,0,0,2|2,0,0]=4 2330 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,0,0,2|2,0,0]=4 2331 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,0,0,2|2,0,0]=4 2332 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,0,0,2|2,0,0]=4 2333 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,0,0,2|2,0,0]=4 2334 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,0,0,2|2,0,0]=4 2335 B10R1.66 C=C(C)COC1CCCO1 34a_100000085407_100000748629 [0,0,0,0,0,2|2,0,0]=4 2336 B10R1.66 C=C(F)COC1CCCO1 34a_100000085407_100009893438 [0,0,0,0,0,2|2,0,0]=4 2337 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,0,0,2|2,0,0]=4 2338 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,0,0,2|2,0,0]=4 2339 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,0,0,2|1,0,0]=3 2340 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,0,0,2|2,0,0]=4 2341 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,0,0,2|2,0,0]=4 2342 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,0,0,2|2,0,0]=4 2343 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,0,0,2|2,0,0]=4 2344 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,0,0,2|2,0,0]=4 2345 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,0,0,2|2,0,0]=4 2346 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,0,0,2|2,0,0]=4 2347 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,0,0,2|2,0,0]=4 2348 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,0,0,2|2,0,0]=4 2349 B10R1.66 CC(=O)NCC1OCCO1 11a_100000036311_100015343762 [0,0,0,0,0,2|2,0,0]=4 2350 B10R1.66 CC(=O)NCC1OCCO1 1626a_100000036311_100015343762 [0,0,0,0,0,2|2,0,0]=4 2351 B10R1.66 CC(=O)NCC1OCCO1 527a_100000036311_100103153847 [0,0,0,0,0,2|2,0,0]=4 2352 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,0,0,2|1,0,0]=3 2353 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,0,0,2|1,0,0]=3 2354 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,0,0,2|1,0,0]=3 2355 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,0,0,2|1,0,0]=3 2356 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,0,0,0,0,2|2,0,0]=4 2357 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [0,0,0,0,0,2|1,0,1]=4 2358 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [0,0,0,0,0,2|1,0,1]=4 2359 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,0,0,0,0,2|2,0,0]=4 2360 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,0,0,0,0,2|2,0,0]=4 2361 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,0,0,0,0,2|2,0,0]=4 2362 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,0,0,0,0,2|2,0,0]=4 2363 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,0,0,0,0,2|2,0,0]=4 2364 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,0,0,0,0,2|1,0,0]=3 2365 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,0,0,0,0,2|2,0,0]=4 2366 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,0,0,0,0,2|2,0,0]=4 2367 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,0,0,2|1,0,0]=3 2368 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,0,0,0,0,2|2,0,0]=4 2369 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,0,0,0,0,2|1,0,1]=4 2370 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,0,0,0,0,2|1,0,1]=4 2371 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,0,0,0,0,2|0,0,1]=3 2372 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,0,0,0,0,2|1,0,1]=4 2373 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,0,0,0,0,2|1,0,1]=4 2374 B10R1.66 O=[N+]([O-])COC1CCCO1 34a_100000085407_100000761209 [0,0,0,0,0,2|1,0,1]=4 2375 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,0,0,2|2,0,0]=4 2376 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,0,0,2|1,0,0]=3 2377 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,0,0,2|2,0,0]=4 2378 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,0,0,2|2,0,0]=4 2379 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,0,0,2|2,0,0]=4