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|2,0,0]=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|2,0,0]=2 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|2,0,0]=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|2,0,0]=2 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|3,0,0]=4 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|3,0,0]=4 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(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,0,0,0|1,0,1]=3 121 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,0,0,0|0,0,2]=3 145 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,0,0,0|0,0,0]=1 147 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,0,0,0|0,0,2]=3 151 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,0,0,0|0,0,0]=1 153 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,0,1,0,0,0|2,0,1]=4 162 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,0,1,0,0,0|2,0,1]=4 164 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,0,1,0,0,0|1,0,2]=4 165 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,0,1,0,0,0|1,0,2]=4 166 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,0,1,0,0,0|0,0,2]=3 167 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,0,1,0,0,0|0,0,3]=4 168 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,0,1,0,0,0|3,0,0]=4 169 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,0,1,0,0,0|3,0,0]=4 170 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,0,1,0,0,0|3,0,0]=4 171 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,0,1,0,0,0|3,0,0]=4 172 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,0,1,0,0,0|3,0,0]=4 173 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,0,1,0,0,0|3,0,0]=4 174 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,1,0,0,0|3,0,0]=4 175 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,1,0,0,0|3,0,0]=4 176 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,0,1,0,0,0|3,0,0]=4 178 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,0,1,0,0,0|3,0,0]=4 179 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,0,1,0,0,0|3,0,0]=4 180 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,0,1,0,0,0|3,0,0]=4 181 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,0,1,0,0,0|3,0,0]=4 182 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,0,1,0,0,0|3,0,0]=4 183 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,0,1,0,0,0|3,0,0]=4 184 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,1,0,0,0|2,0,1]=4 185 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,1,0,0,0|2,0,1]=4 186 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,1,0,0,0|2,0,1]=4 187 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,0,1,0,0,0|1,0,2]=4 188 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,0,1,0,0,0|1,0,2]=4 189 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,1,0,0,0|0,0,2]=3 190 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,0,1,0,0,0|1,0,2]=4 191 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,0,1,0,0,0|1,0,2]=4 192 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,1,0,0,0|2,0,0]=3 193 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,1,0,0,0|2,0,0]=3 194 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,1,0,0,0|2,0,0]=3 195 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,1,0,0,0|3,0,0]=4 196 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,1,0,0,0|3,0,0]=4 197 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,1,0,0,0|3,0,0]=4 198 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,1,0,0,0|3,0,0]=4 199 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,1,0,0,0|3,0,0]=4 200 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,1,0,0,0|3,0,0]=4 201 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,0,1,0,0,0|3,0,0]=4 202 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,0,1,0,0,0|3,0,0]=4 203 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,1,0,0,0|3,0,0]=4 204 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,1,0,0,0|3,0,0]=4 205 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,1,0,0,0|3,0,0]=4 206 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 207 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 208 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,1,0,0,0|3,0,0]=4 210 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,1,0,0,0|3,0,0]=4 211 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,1,0,0,0|3,0,0]=4 212 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,0,1,0,0,0|3,0,0]=4 213 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,0,1,0,0,0|2,0,1]=4 214 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,0,1,0,0,0|2,0,1]=4 215 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,0,1,0,0,0|2,0,1]=4 216 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,0,1,0,0,0|2,0,1]=4 217 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,0,1,0,0,0|2,0,1]=4 218 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,0,1,0,0,0|2,0,1]=4 219 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,0,1,0,0,0|2,0,1]=4 220 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,0,1,0,0,0|2,0,1]=4 221 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,1,0,0,0|2,0,1]=4 222 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,1,0,0,0|2,0,1]=4 223 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,1,0,0,0|2,0,1]=4 224 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,0,1,0,0,0|2,0,1]=4 225 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,1,0,0,0|2,0,1]=4 226 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,1,0,0,0|2,0,1]=4 227 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|2,0,1]=4 229 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|2,0,0]=3 230 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|2,0,0]=3 231 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|2,0,0]=3 232 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 233 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 234 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 235 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|3,0,0]=4 236 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,1,0,0,0|1,0,0]=2 237 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,1,0,0,0|0,0,0]=1 238 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,0,1,0,0,0|2,0,1]=4 239 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,0,1,0,0,0|2,0,1]=4 241 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,0,1,0,0,0|1,0,1]=3 242 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,0,1,0,0,0|1,0,1]=3 243 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|2,0,0]=3 245 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|2,0,0]=3 246 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|2,0,0]=3 247 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,1,0,0,0|2,0,0]=3 248 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|2,0,0]=3 249 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,1,0,0,0|1,0,1]=3 250 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,0,1,0,0,0|2,0,1]=4 251 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,0,1,0,0,0|2,0,1]=4 252 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,0,1,0,0,0|2,0,1]=4 253 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|2,0,0]=3 254 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|2,0,0]=3 255 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|2,0,0]=3 256 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|2,0,0]=3 257 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|1,0,1]=3 258 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|1,0,1]=3 259 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,0,1,0,0,0|2,0,1]=4 260 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,0,1,0,0,0|2,0,1]=4 261 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,0,1,0,0,0|2,0,1]=4 262 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,0,1,0,0,0|2,0,1]=4 263 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,0,1,0,0,0|2,0,1]=4 264 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,1,0,0,0|3,0,0]=4 265 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,1,0,0,0|3,0,0]=4 267 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,1,0,0,0|3,0,0]=4 268 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,1,0,0,0|3,0,0]=4 269 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,1,0,0,0|3,0,0]=4 270 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,1,0,0,0|3,0,0]=4 271 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,1,0,0,0|3,0,0]=4 272 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,1,0,0,0|3,0,0]=4 273 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,1,0,0,0|3,0,0]=4 274 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,1,0,0,0|3,0,0]=4 275 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,1,0,0,0|3,0,0]=4 276 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,1,0,0,0|3,0,0]=4 277 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,1,0,0,0|3,0,0]=4 278 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,1,0,0,0|3,0,0]=4 279 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,1,0,0,0|3,0,0]=4 280 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,1,0,0,0|3,0,0]=4 281 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,1,0,0,0|3,0,0]=4 282 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,1,0,0,0|3,0,0]=4 283 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,1,0,0,0|3,0,0]=4 284 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,1,0,0,0|3,0,0]=4 285 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,1,0,0,0|3,0,0]=4 286 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,1,0,0,0|3,0,0]=4 287 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,1,0,0,0|3,0,0]=4 288 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,1,0,0,0|3,0,0]=4 289 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,1,0,0,0|3,0,0]=4 290 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,1,0,0,0|3,0,0]=4 291 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,1,0,0,0|3,0,0]=4 292 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,1,0,0,0|3,0,0]=4 293 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,1,0,0,0|2,0,0]=3 294 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,1,0,0,0|1,0,0]=2 295 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,0,1,0,0,0|2,0,1]=4 296 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,1,0,0,0|3,0,0]=4 297 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,1,0,0,0|3,0,0]=4 298 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,1,0,0,0|2,0,1]=4 299 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,1,0,0,0|2,0,1]=4 300 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,1,0,0,0|3,0,0]=4 301 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,1,0,0,0|3,0,0]=4 302 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,1,0,0,0|3,0,0]=4 303 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,1,0,0,0|3,0,0]=4 304 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,1,0,0,0|3,0,0]=4 305 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,1,0,0,0|3,0,0]=4 306 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,1,0,0,0|2,0,0]=3 307 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,1,0,0,0|1,0,0]=2 308 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,0,1,0,0,0|2,0,1]=4 309 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,0,1,0,0,0|2,0,1]=4 310 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,1,0,0,0|3,0,0]=4 311 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,1,0,0,0|3,0,0]=4 312 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,1,0,0,0|3,0,0]=4 313 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,1,0,0,0|2,0,1]=4 314 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,1,0,0,0|2,0,1]=4 315 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,0,1,0,0,0|2,0,1]=4 316 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,0,1,0,0,0|2,0,1]=4 317 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,0,1,0,0,0|2,0,1]=4 318 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,0,1,0,0,0|2,0,1]=4 319 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,0,1,0,0,0|2,0,1]=4 320 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,0,1,0,0,0|1,0,1]=3 321 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,1,0,0,0|3,0,0]=4 322 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,1,0,0,0|3,0,0]=4 323 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,1,0,0,0|3,0,0]=4 324 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,1,0,0,0|3,0,0]=4 325 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,0,1,0,0,0|2,0,1]=4 326 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,1,0,0,0|2,0,0]=3 327 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,1,0,0,0|2,0,0]=3 328 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,1,0,0,0|2,0,0]=3 329 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,1,0,0,0|2,0,0]=3 330 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,1,0,0,0|2,0,0]=3 331 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,0,1,0,0,0|3,0,0]=4 332 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,1,0,0,0|3,0,0]=4 333 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,1,0,0,0|3,0,0]=4 334 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,1,0,0,0|3,0,0]=4 335 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,1,0,0,0|3,0,0]=4 336 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,1,0,0,0|2,0,0]=3 337 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,1,0,0,0|1,0,1]=3 338 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,0,1,0,0,0|2,0,1]=4 339 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,1,0,0,0|1,0,0]=2 340 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,1,0,0,0|1,0,0]=2 341 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,0,1,0,0,0|3,0,0]=4 342 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,1,0,0,0|1,0,1]=3 343 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,1,0,0,0|1,0,1]=3 344 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,0,1,0,0,0|2,0,1]=4 345 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,1,0,0,0|2,0,1]=4 346 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,1,0,0,0|2,0,1]=4 347 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,1,0,0,0|2,0,1]=4 348 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,1,0,0,0|2,0,1]=4 349 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,1,0,0,0|1,0,1]=3 350 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,0,1,0,0,0|2,0,1]=4 351 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,0,1,0,0,0|2,0,1]=4 352 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,0,1,0,0,0|1,0,2]=4 353 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,1,0,0,0|2,0,0]=3 354 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,1,0,0,0|3,0,0]=4 355 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,1,0,0,0|3,0,0]=4 356 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,1,0,0,0|3,0,0]=4 357 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,1,0,0,0|3,0,0]=4 358 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,1,0,0,0|2,0,0]=3 359 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,1,0,0,0|3,0,0]=4 360 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,1,0,0,0|3,0,0]=4 361 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,1,0,0,0|3,0,0]=4 362 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,1,0,0,0|3,0,0]=4 363 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,1,0,0,0|3,0,0]=4 364 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,1,0,0,0|3,0,0]=4 365 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,1,0,0,0|2,0,0]=3 366 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,0,1,0,0,0|3,0,0]=4 367 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,0,1,0,0,0|3,0,0]=4 368 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,1,0,0,0|2,0,1]=4 369 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,1,0,0,0|2,0,1]=4 370 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,1,0,0,0|2,0,0]=3 371 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,1,0,0,0|2,0,0]=3 372 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,1,0,0,0|2,0,0]=3 373 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 374 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 375 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 376 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,1,0,0,0|3,0,0]=4 377 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,1,0,0,0|2,0,0]=3 378 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,1,0,0,0|2,0,0]=3 379 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,1,0,0,0|2,0,1]=4 380 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,1,0,0,0|2,0,1]=4 381 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,1,0,0,0|2,0,1]=4 382 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,1,0,0,0|1,0,0]=2 383 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,1,0,0,0|1,0,0]=2 384 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,0,1,0,0,0|2,0,1]=4 385 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,0,1,0,0,0|2,0,0]=3 386 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,1,0,0,0|0,0,0]=1 387 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,1,0,0,0|1,0,0]=2 388 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,1,0,0,0|1,0,0]=2 389 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,1,0,0,0|2,0,0]=3 390 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,1,0,0,0|2,0,0]=3 391 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,1,0,0,0|2,0,0]=3 392 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,1,0,0,0|2,0,0]=3 393 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,1,0,0,0|3,0,0]=4 394 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,1,0,0,0|2,0,1]=4 395 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,1,0,0,0|1,0,1]=3 396 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,1,0,0,0|2,0,0]=3 397 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,1,0,0,0|2,0,0]=3 398 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,1,0,0,0|2,0,0]=3 399 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,1,0,0,0|2,0,0]=3 400 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,1,0,0,0|2,0,0]=3 401 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,1,0,0,0|2,0,0]=3 402 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,1,0,0,0|2,0,0]=3 403 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,1,0,0,0|2,0,0]=3 404 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,0,1,0,0,0|3,0,0]=4 405 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,0,1,0,0,0|3,0,0]=4 406 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,0,1,0,0,0|2,0,1]=4 407 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,0,1,0,0,0|2,0,1]=4 408 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,1,0,0,0|2,0,0]=3 409 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,0,1,0,0,0|2,0,0]=3 410 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,1,0,0,0|3,0,0]=4 411 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,1,0,0,0|3,0,0]=4 412 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,1,0,0,0|3,0,0]=4 413 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,1,0,0,0|3,0,0]=4 414 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,1,0,0,0|3,0,0]=4 415 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,0,1,0,0,0|2,0,0]=3 416 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,1,0,0,0|3,0,0]=4 417 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,1,0,0,0|3,0,0]=4 418 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,0,1,0,0,0|2,0,0]=3 419 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,0,1,0,0,0|3,0,0]=4 420 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,0,1,0,0,0|3,0,0]=4 421 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,0,1,0,0,0|1,0,0]=2 422 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,0,1,0,0,0|2,0,1]=4 423 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,0,1,0,0,0|2,0,0]=3 424 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,0,1,0,0,0|2,0,0]=3 425 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,0,1,0,0,0|0,0,2]=3 426 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,0,1,0,0,0|0,0,2]=3 427 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,0,1,0,0,0|2,0,0]=3 428 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,0,1,0,0,0|2,0,0]=3 429 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,0,1,0,0,0|2,0,0]=3 430 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,0,1,0,0,0|1,0,0]=2 431 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,0,1,0,0,0|1,0,0]=2 432 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,0,1,0,0,0|1,0,0]=2 433 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,0,1,0,0,0|1,0,0]=2 434 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,0,1,0,0,0|1,0,0]=2 435 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,0,1,0,0,0|2,0,1]=4 436 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,0,1,0,0,0|1,0,0]=2 437 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,0,1,0,0,0|1,0,0]=2 438 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,0,1,0,0,0|2,0,0]=3 439 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,0,1,0,0,0|2,0,0]=3 440 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,0,1,0,0,0|2,0,0]=3 441 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,0,1,0,0,0|2,0,0]=3 442 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,0,1,0,0,0|2,0,0]=3 443 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,0,1,0,0,0|2,0,0]=3 444 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,0,1,0,0,0|2,0,0]=3 445 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 446 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 447 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 448 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,0,1,0,0,0|3,0,0]=4 449 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,0,1,0,0,0|0,0,0]=1 450 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,0,1,0,0,0|0,0,0]=1 451 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,0,1,0,0,0|1,0,1]=3 452 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,0,1,0,0,0|1,0,1]=3 453 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,0,1,0,0,0|1,0,1]=3 454 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,0,1,0,0,0|1,0,1]=3 455 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,0,1,0,0,0|2,0,1]=4 456 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,0,1,0,0,0|1,0,0]=2 457 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,0,1,0,0,0|2,0,0]=3 458 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,0,1,0,0,0|2,0,0]=3 459 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,0,1,0,0,0|2,0,1]=4 460 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,0,1,0,0,0|2,0,1]=4 461 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,0,1,0,0,0|3,0,0]=4 462 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,0,1,0,0,0|3,0,0]=4 463 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,0,1,0,0,0|2,0,1]=4 464 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,0,1,0,0,0|2,0,1]=4 465 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,0,1,0,0,0|2,0,1]=4 466 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,0,1,0,0,0|1,0,0]=2 467 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,0,1,0,0,0|2,0,0]=3 468 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,0,1,0,0,0|2,0,0]=3 469 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,0,1,0|1,0,0]=2 470 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,0,1,0|1,0,0]=2 471 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,0,1,0|2,0,0]=3 472 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,0,1,0|2,0,0]=3 473 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,0,1,0|2,0,0]=3 474 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,0,1,0|2,0,0]=3 475 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,0,1,0|2,0,0]=3 476 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,0,1,0|2,0,0]=3 477 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,0,0,1,0|3,0,0]=4 478 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,0,0,1,0|3,0,0]=4 479 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,0,0,1,0|3,0,0]=4 480 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,0,0,1,0|3,0,0]=4 481 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,0,0,1,0|3,0,0]=4 482 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,0,0,1,0|3,0,0]=4 483 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,0,0,1,0|3,0,0]=4 484 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,0,0,1,0|3,0,0]=4 485 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,0,1,0|1,0,0]=2 486 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,0,1,0|2,0,0]=3 487 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,0,1,0|2,0,0]=3 488 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,1|2,0,1]=4 489 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,1|2,0,1]=4 490 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,1|2,0,1]=4 491 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,1|2,0,0]=3 492 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,0,1|2,0,0]=3 493 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,0,1|2,0,0]=3 494 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,0,1|2,0,0]=3 495 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,0,1|2,0,0]=3 496 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,0,1|2,0,0]=3 497 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,0,0,1|2,0,0]=3 498 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,0,0,1|2,0,0]=3 499 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,0,0,1|2,0,0]=3 500 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,0,0,1|2,0,0]=3 501 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,0,0,1|2,0,0]=3 502 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,0,0,1|3,0,0]=4 503 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,0,0,1|3,0,0]=4 504 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 505 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 506 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 507 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,0,0,1|3,0,0]=4 508 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 509 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 510 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,0,0,1|3,0,0]=4 511 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,1|2,0,1]=4 512 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,1|2,0,1]=4 513 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,1|2,0,1]=4 514 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,1|2,0,1]=4 515 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,0,1|2,0,0]=3 516 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,0,1|2,0,0]=3 517 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,0,1|2,0,0]=3 518 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,0,0,1|2,0,0]=3 519 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,0,0,1|2,0,0]=3 520 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,0,0,1|2,0,0]=3 521 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,0,0,1|2,0,0]=3 522 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,1|2,0,1]=4 523 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,0,0,1|2,0,1]=4 524 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,0,1|2,0,1]=4 525 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,0,0,1|2,0,1]=4 526 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,0,0,1|2,0,0]=3 527 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,0,0,1|2,0,0]=3 528 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,0,0,1|2,0,0]=3 529 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,0,0,1|3,0,0]=4 530 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,0,0,1|3,0,0]=4 531 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,0,0,1|3,0,0]=4 532 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,0,0,1|3,0,0]=4 533 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,0,0,1|2,0,0]=3 534 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,0,0,1|2,0,0]=3 535 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,0,0,1|2,0,0]=3 536 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,0,0,1|2,0,0]=3 537 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,0,0,1|3,0,0]=4 538 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,0,0,1|3,0,0]=4 539 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,0,0,1|3,0,0]=4 540 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,0,0,1|3,0,0]=4 541 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,0,0,1|3,0,0]=4 542 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,0,0,1|3,0,0]=4 543 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,0,0,1|3,0,0]=4 544 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,0,0,1|3,0,0]=4 545 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,0,0,1|2,0,1]=4 546 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,0,0,1|2,0,1]=4 547 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,0,1|2,0,1]=4 548 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,0,0,1|2,0,1]=4 549 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,0,0,1|2,0,0]=3 550 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,0,0,1|3,0,0]=4 551 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,0,0,1|3,0,0]=4 552 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,1,0,0,0|2,0,0]=4 553 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,1,0,0,0|2,0,0]=4 554 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|2,0,0]=4 555 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|2,0,0]=4 556 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,1,0,0,0|2,0,0]=4 557 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,1,0,0,0|2,0,0]=4 558 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,1,0,0,0|2,0,0]=4 559 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,1,0,0,0|2,0,0]=4 560 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 561 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 562 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 563 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,1,0,0,0|2,0,0]=4 564 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,1,0,0,0|2,0,0]=4 565 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,1,0,0,0|2,0,0]=4 566 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|1,0,0]=3 567 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|1,0,0]=3 568 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|1,0,0]=3 569 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 570 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 571 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 572 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|1,0,0]=3 573 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|1,0,0]=3 574 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|1,0,0]=3 575 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|0,0,0]=2 576 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,1,0,0,0|1,0,1]=4 577 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,1,0,0,0|1,0,1]=4 578 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,1,0,0,0|1,0,1]=4 579 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,1,0,0,0|1,0,1]=4 580 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,1,0,0,0|2,0,0]=4 581 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|2,0,0]=4 582 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|2,0,0]=4 583 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|2,0,0]=4 584 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|2,0,0]=4 585 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|1,0,1]=4 586 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|2,0,0]=4 587 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|2,0,0]=4 588 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|2,0,0]=4 589 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|2,0,0]=4 590 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|1,0,1]=4 591 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|1,0,1]=4 592 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|2,0,0]=4 593 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 594 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|2,0,0]=4 595 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 596 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,1,0,0,0|2,0,0]=4 597 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,1,0,0,0|2,0,0]=4 598 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,1,0,0,0|2,0,0]=4 599 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,1,0,0,0|2,0,0]=4 600 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,1,0,0,0|2,0,0]=4 601 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 602 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|2,0,0]=4 603 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 604 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,1,0,0,0|2,0,0]=4 605 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,1,0,0,0|2,0,0]=4 606 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,1,0,0,0|2,0,0]=4 607 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,1,0,0,0|2,0,0]=4 608 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,1,0,0,0|2,0,0]=4 609 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|2,0,0]=4 610 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|2,0,0]=4 611 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,1,0,0,0|2,0,0]=4 612 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,1,0,0,0|1,0,0]=3 613 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,1,0,0,0|2,0,0]=4 614 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 615 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 616 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|2,0,0]=4 617 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|2,0,0]=4 618 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,0,1,0,0,0|0,0,2]=4 619 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,0,1,0,0,0|1,0,1]=4 620 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,1,0,0,0|0,0,2]=4 621 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,1,0,0,0|1,0,0]=3 622 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,0,1,0,0,0|2,0,0]=4 623 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,0,1,0,0,0|2,0,0]=4 624 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,1,0,0,0|2,0,0]=4 625 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,1,0,0,0|2,0,0]=4 626 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,1,0,0,0|2,0,0]=4 627 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,0,1,0,0,0|2,0,0]=4 628 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,1,0,0,0|2,0,0]=4 629 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,1,0,0,0|2,0,0]=4 630 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,1,0,0,0|2,0,0]=4 631 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,1,0,0,0|2,0,0]=4 632 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,1,0,0,0|2,0,0]=4 633 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,1,0,0,0|2,0,0]=4 634 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,1,0,0,0|2,0,0]=4 635 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,1,0,0,0|1,0,1]=4 636 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|0,0,1]=3 637 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|0,0,1]=3 638 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|1,0,0]=3 639 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,1,0,0,0|1,0,1]=4 640 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,0]=3 641 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,0]=3 642 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,1,0,0,0|1,0,1]=4 643 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,1,0,0,0|1,0,1]=4 644 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,1,0,0,0|2,0,0]=4 645 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,1,0,0,0|2,0,0]=4 646 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 647 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,1,0,0,0|1,0,1]=4 648 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,1,0,0,0|2,0,0]=4 649 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,1,0,0,0|2,0,0]=4 650 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,1,0,0,0|2,0,0]=4 651 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,1,0,0,0|2,0,0]=4 652 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,1,0,0,0|1,0,1]=4 653 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,1,0,0,0|1,0,1]=4 654 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,1,0,0,0|2,0,0]=4 655 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,1,0,0,0|2,0,0]=4 656 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,1,0,0,0|1,0,0]=3 657 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,1,0,0,0|1,0,1]=4 658 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,1,0,0,0|1,0,0]=3 659 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,1,0,0,0|1,0,0]=3 660 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,1,0,0,0|1,0,0]=3 661 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,1,0,0,0|2,0,0]=4 662 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,1,0,0,0|2,0,0]=4 663 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,1,0,0,0|2,0,0]=4 664 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|2,0,0]=4 665 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|2,0,0]=4 666 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,1,0,0,0|1,0,1]=4 667 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,1,0,0,0|1,0,1]=4 668 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,1,0,0,0|1,0,1]=4 669 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,1,0,0,0|1,0,1]=4 670 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,1,0,0,0|1,0,1]=4 671 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 672 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,1,0,0,0|2,0,0]=4 673 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,1,0,0,0|2,0,0]=4 674 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [1,0,1,0,0,0|1,0,1]=4 675 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [1,0,1,0,0,0|1,0,1]=4 676 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,1,0,0,0|2,0,0]=4 677 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,1,0,0,0|2,0,0]=4 678 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [1,0,1,0,0,0|2,0,0]=4 679 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [1,0,1,0,0,0|2,0,0]=4 680 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [1,0,1,0,0,0|1,0,1]=4 681 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [1,0,1,0,0,0|1,0,1]=4 682 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,1,0,0,0|1,0,1]=4 683 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,1,0,0,0|1,0,1]=4 684 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,1,0,0,0|0,0,1]=3 685 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,1,0,0,0|0,0,1]=3 686 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,1,0,0,0|1,0,1]=4 687 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,1,0,0,0|1,0,1]=4 688 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,1,0,0,0|1,0,1]=4 689 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,1,0,0,0|1,0,1]=4 690 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,0,1,0,0,0|2,0,0]=4 691 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,1,0,0,0|2,0,0]=4 692 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,1,0,0,0|2,0,0]=4 693 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,1,0,0,0|2,0,0]=4 694 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,1,0,0,0|2,0,0]=4 695 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,1,0,0,0|2,0,0]=4 696 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,1,0,0,0|1,0,0]=3 697 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,1,0,0,0|1,0,0]=3 698 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,1,0,0,0|1,0,0]=3 699 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,1,0,0,0|2,0,0]=4 700 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,1,0,0,0|2,0,0]=4 701 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 702 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 703 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 704 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,1,0,0,0|2,0,0]=4 705 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,1,0,0,0|1,0,0]=3 706 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,1,0,0,0|1,0,0]=3 707 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,1,0,0,0|1,0,0]=3 708 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,1,0,0,0|1,0,0]=3 709 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,1,0,0,0|1,0,0]=3 710 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,1,0,0,0|2,0,0]=4 711 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,1,0,0,0|2,0,0]=4 712 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,1,0,0,0|2,0,0]=4 713 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,1,0,0,0|1,0,1]=4 714 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,1,0,0,0|0,0,0]=2 715 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,1,0,0,0|1,0,0]=3 716 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,1,0,0,0|1,0,0]=3 717 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,1,0,0,0|2,0,0]=4 718 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,1,0,0,0|2,0,0]=4 719 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,1,0,0,0|2,0,0]=4 720 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,1,0,0,0|2,0,0]=4 721 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,1,0,0,0|1,0,1]=4 722 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,1,0,0,0|2,0,0]=4 723 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,1,0,0,0|2,0,0]=4 724 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,1,0,0,0|2,0,0]=4 725 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,1,0,0,0|2,0,0]=4 726 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,1,0,0,0|2,0,0]=4 727 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,1,0,0,0|2,0,0]=4 728 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,1,0,0,0|2,0,0]=4 729 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,1,0,0,0|2,0,0]=4 730 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,1,0,0,0|1,0,0]=3 731 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,1,0,0,0|1,0,0]=3 732 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,1,0,0,0|2,0,0]=4 733 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,1,0,0,0|2,0,0]=4 734 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,1,0,0,0|0,0,0]=2 735 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,1,0,0,0|1,0,1]=4 736 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,0,1,0,0,0|2,0,0]=4 737 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,0,1,0,0,0|2,0,0]=4 738 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,0,1,0,0,0|2,0,0]=4 739 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,0,1,0,0,0|2,0,0]=4 740 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,0,1,0,0,0|2,0,0]=4 741 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,0,1,0,0,0|2,0,0]=4 742 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,0,1,0,0,0|2,0,0]=4 743 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,0,1,0,0,0|2,0,0]=4 744 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,0,1,0,0,0|1,0,1]=4 745 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,0,1,0,0,0|1,0,1]=4 746 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,0,1,0,0,0|1,0,1]=4 747 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,0,1,0,0,0|1,0,1]=4 748 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,0,1,0,0,0|0,0,1]=3 749 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,0,1,0,0,0|0,0,1]=3 750 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,0,1,0,0,0|1,0,1]=4 751 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,0,1,0,0,0|1,0,1]=4 752 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,0,1,0,0,0|1,0,1]=4 753 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,0,1,0,0,0|1,0,1]=4 754 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,1,1,0,0,0|0,0,2]=4 755 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,1,1,0,0,0|0,0,2]=4 756 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,1,1,0,0,0|0,0,2]=4 757 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,1,1,0,0,0|2,0,0]=4 758 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,1,1,0,0,0|2,0,0]=4 759 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,1,1,0,0,0|2,0,0]=4 760 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,1,1,0,0,0|2,0,0]=4 761 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,1,0,0,0|2,0,0]=4 762 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,1,0,0,0|2,0,0]=4 763 B8R0.5 C=C(F)CN(C)CCC 2230a_100000747261_100009893438 [0,1,1,0,0,0|2,0,0]=4 764 B8R0.5 C=C(F)CN(C)CCC 269982a_100000747261_100009893438 [0,1,1,0,0,0|2,0,0]=4 765 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,1,0,0,0|0,0,2]=4 766 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,1,0,0,0|0,0,2]=4 767 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,1,0,0,0|0,0,2]=4 768 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,1,0,0,0|2,0,0]=4 769 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,1,0,0,0|2,0,0]=4 770 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,1,0,0,0|2,0,0]=4 771 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,1,0,0,0|1,0,1]=4 772 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,1,0,0,0|2,0,0]=4 773 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,1,0,0,0|2,0,0]=4 774 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,1,0,0,0|2,0,0]=4 775 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,1,0,0,0|1,0,0]=3 776 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,1,0,0,0|1,0,0]=3 777 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,1,0,0,0|1,0,0]=3 778 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,1,0,0,0|0,0,0]=2 779 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,1,0,0,0|0,0,1]=3 780 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,1,1,0,0,0|1,0,1]=4 781 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,1,1,0,0,0|1,0,1]=4 782 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,1,1,0,0,0|1,0,1]=4 783 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,1,1,0,0,0|1,0,1]=4 784 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,1,1,0,0,0|1,0,1]=4 785 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,1,1,0,0,0|1,0,1]=4 786 B8R0.5 CCCN(C)C[N+](=O)[O-] 269982a_100000747261_100000761209 [0,1,1,0,0,0|1,0,1]=4 787 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,1,0,0,0|2,0,0]=4 788 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,1,0,0,0|2,0,0]=4 789 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,1,1,0,0,0|1,0,1]=4 790 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,1,1,0,0,0|1,0,1]=4 791 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,1,1,0,0,0|2,0,0]=4 792 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,1,0,0,0|1,0,0]=3 793 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,1,0,0,0|2,0,0]=4 794 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,1,0,0,0|2,0,0]=4 795 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,1,0,0,0|1,0,0]=3 797 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,1,0,0,0|1,0,0]=3 798 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,1,1,0,0,0|1,0,1]=4 799 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,1,0,0,0|2,0,0]=4 800 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,1,1,0,0,0|2,0,0]=4 801 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,1,0,0,0|1,0,0]=3 802 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,1,0,0,0|2,0,0]=4 803 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,1,0,0,0|1,0,0]=3 804 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,1,0,0,0|1,0,0]=3 805 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,1,0,0,0|2,0,0]=4 806 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,1,0,0,0|2,0,0]=4 807 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,1,0,0,0|2,0,0]=4 808 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,1,0,0,0|2,0,0]=4 809 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,1,0,0,0|1,0,1]=4 810 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,1,1,0,0,0|0,0,2]=4 811 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,1,0,0,0|2,0,0]=4 812 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,1,0,0,0|2,0,0]=4 813 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,1,0,0,0|2,0,0]=4 814 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,1,1,0,0,0|2,0,0]=4 815 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,1,0,0,0|1,0,1]=4 816 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,1,0,0,0|0,0,2]=4 817 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,1,0,0,0|1,0,1]=4 818 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,1,0,0,0|1,0,1]=4 819 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,1,0,0,0|2,0,0]=4 820 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,1,0,0,0|2,0,0]=4 821 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,1,0,0,0|2,0,0]=4 822 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,1,0,0,0|2,0,0]=4 823 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,1,0,0,0|2,0,0]=4 824 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,1,0,0,0|2,0,0]=4 825 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|1,0,0]=3 826 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,1,0,0,0|2,0,0]=4 827 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 828 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 829 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 830 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,1,0,0,0|2,0,0]=4 831 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,1,0,0,0|2,0,0]=4 832 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,1,0,0,0|1,0,0]=3 833 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,1,1,0,0,0|1,0,1]=4 834 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,1,0,0,0|1,0,1]=4 835 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,1,1,0,0,0|1,0,1]=4 836 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,1,1,0,0,0|1,0,1]=4 837 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,1,1,0,0,0|0,0,2]=4 838 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,1,1,0,0,0|2,0,0]=4 839 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,1,0,0,0|2,0,0]=4 840 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,1,0,0,0|1,0,0]=3 841 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,1,0,0,0|2,0,0]=4 842 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,1,0,0,0|2,0,0]=4 843 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,1,0,0,0|2,0,0]=4 844 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,1,0,0,0|2,0,0]=4 845 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,1,0,0,0|2,0,0]=4 846 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,1,0,0,0|2,0,0]=4 847 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,1,0,0,0|2,0,0]=4 848 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,1,0,0,0|2,0,0]=4 849 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,1,0,0,0|2,0,0]=4 850 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,1,0,0,0|2,0,0]=4 851 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,1,0,0,0|2,0,0]=4 852 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,1,0,0,0|2,0,0]=4 853 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|1,0,0]=3 854 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,1,0,0,0|2,0,0]=4 855 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,1,0,0,0|2,0,0]=4 856 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,1,0,0,0|2,0,0]=4 857 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,1,0,0,0|2,0,0]=4 858 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,1,0,0,0|2,0,0]=4 859 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,1,0,0,0|2,0,0]=4 860 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,1,0,0,0|2,0,0]=4 861 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,1,0,0,0|2,0,0]=4 862 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,1,0,0,0|2,0,0]=4 863 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,1,0,0,0|2,0,0]=4 864 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|1,0,0]=3 865 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|1,0,0]=3 866 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,1,0,0,0|2,0,0]=4 867 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,1,0,0,0|2,0,0]=4 868 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,1,0,0,0|2,0,0]=4 869 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,1,0,0,0|2,0,0]=4 870 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,1,0,0,0|2,0,0]=4 871 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,1,0,0,0|2,0,0]=4 872 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,1,0,0,0|2,0,0]=4 873 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,1,0,0,0|2,0,0]=4 874 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,1,0,0,0|2,0,0]=4 875 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,1,0,0,0|2,0,0]=4 876 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,1,0,0,0|2,0,0]=4 877 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,1,0,0,0|2,0,0]=4 878 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,1,0,0,0|2,0,0]=4 879 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,1,0,0,0|2,0,0]=4 880 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,1,0,0,0|2,0,0]=4 881 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 882 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,1,0,0,0|2,0,0]=4 883 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 884 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,1,0,0,0|2,0,0]=4 885 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,1,0,0,0|2,0,0]=4 886 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,1,0,0,0|2,0,0]=4 887 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,1,0,0,0|2,0,0]=4 888 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,1,0,0,0|2,0,0]=4 889 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,1,0,0,0|2,0,0]=4 890 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,1,0,0,0|1,0,0]=3 891 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,1,0,0,0|1,0,0]=3 892 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,1,0,0,0|1,0,0]=3 893 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,1,0,0,0|2,0,0]=4 894 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,1,0,0,0|1,0,0]=3 895 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,1,0,0,0|2,0,0]=4 896 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,1,0,0,0|2,0,0]=4 897 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,1,0,0,0|2,0,0]=4 898 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,1,0,0,0|2,0,0]=4 899 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,1,0,0,0|2,0,0]=4 900 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,1,0,0,0|2,0,0]=4 901 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,1,0,0,0|2,0,0]=4 902 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,1,0,0,0|2,0,0]=4 903 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,1,0,0,0|2,0,0]=4 904 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,1,0,0,0|2,0,0]=4 905 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,1,0,0,0|0,0,2]=4 906 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,1,0,0,0|2,0,0]=4 907 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,1,0,0,0|1,0,0]=3 908 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,1,0,0,0|1,0,0]=3 909 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 910 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 911 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 912 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 913 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,1,0,0,0|2,0,0]=4 914 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,1,1,0,0,0|2,0,0]=4 915 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,1,1,0,0,0|2,0,0]=4 916 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,1,1,0,0,0|2,0,0]=4 917 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,1,1,0,0,0|1,0,1]=4 918 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,1,1,0,0,0|1,0,1]=4 919 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,1,1,0,0,0|0,0,1]=3 920 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,1,1,0,0,0|0,0,2]=4 921 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,1,1,0,0,0|0,0,2]=4 922 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,1,0,0,0|0,0,1]=3 923 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,1,1,0,0,0|2,0,0]=4 924 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,1,1,0,0,0|2,0,0]=4 925 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,1,1,0,0,0|2,0,0]=4 926 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,1,1,0,0,0|2,0,0]=4 927 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,1,1,0,0,0|2,0,0]=4 928 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,1,1,0,0,0|2,0,0]=4 929 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,1,1,0,0,0|2,0,0]=4 930 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,1,1,0,0,0|2,0,0]=4 931 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,1,1,0,0,0|2,0,0]=4 932 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,1,1,0,0,0|2,0,0]=4 933 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [0,1,1,0,0,0|2,0,0]=4 934 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [0,1,1,0,0,0|2,0,0]=4 935 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,1,1,0,0,0|2,0,0]=4 936 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,1,1,0,0,0|2,0,0]=4 937 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,1,1,0,0,0|2,0,0]=4 938 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,1,0,0,0|2,0,0]=4 939 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,1,0,0,0|2,0,0]=4 940 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,1,0,0,0|2,0,0]=4 941 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,1,1,0,0,0|1,0,1]=4 942 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,1,1,0,0,0|1,0,1]=4 943 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,1,0,0,0|0,0,1]=3 944 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,1,1,0,0,0|0,0,2]=4 945 B8R0.7 CC#CCNCC(=O)N 2230a_100000685387_100000747473 [0,1,1,0,0,0|1,0,1]=4 946 B8R0.7 CC#CCNCC(=O)N 2230a_100000711301_100000748600 [0,1,1,0,0,0|1,0,1]=4 947 B8R0.7 CC#CCNCC(=O)N 34a_100000685387_100000187820 [0,1,1,0,0,0|1,0,1]=4 948 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,1,1,0,0,0|0,0,1]=3 949 B8R0.7 CC#CCNCC(=O)[O-] 34a_100000685387_100020667443 [0,1,1,0,0,0|0,0,2]=4 950 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,1,1,0,0,0|1,0,1]=4 951 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,1,1,0,0,0|2,0,0]=4 952 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,1,0,0,0|2,0,0]=4 953 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,1,0,0,0|2,0,0]=4 954 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,1,0,0,0|2,0,0]=4 955 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,1,0,0,0|2,0,0]=4 956 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,1,1,0,0,0|2,0,0]=4 957 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,1,1,0,0,0|2,0,0]=4 958 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,1,1,0,0,0|2,0,0]=4 959 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,1,1,0,0,0|2,0,0]=4 960 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,1,1,0,0,0|2,0,0]=4 961 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,1,1,0,0,0|2,0,0]=4 962 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,1,1,0,0,0|2,0,0]=4 963 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,1,1,0,0,0|2,0,0]=4 964 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,1,1,0,0,0|2,0,0]=4 965 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,1,1,0,0,0|2,0,0]=4 966 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,1,0,0,0|2,0,0]=4 967 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,1,0,0,0|2,0,0]=4 968 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,1,0,0,0|2,0,0]=4 969 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,1,0,0,0|2,0,0]=4 970 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,1,1,0,0,0|2,0,0]=4 971 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,1,0,0,0|2,0,0]=4 972 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,1,0,0,0|2,0,0]=4 973 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,1,0,0,0|2,0,0]=4 974 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,1,1,0,0,0|2,0,0]=4 975 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,1,1,0,0,0|2,0,0]=4 976 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,1,1,0,0,0|2,0,0]=4 977 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,1,1,0,0,0|2,0,0]=4 978 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,1,1,0,0,0|1,0,1]=4 979 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,1,1,0,0,0|1,0,1]=4 980 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,1,1,0,0,0|1,0,1]=4 981 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,1,1,0,0,0|1,0,1]=4 982 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,1,1,0,0,0|1,0,1]=4 983 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,1,1,0,0,0|1,0,1]=4 984 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,1,1,0,0,0|1,0,1]=4 985 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,1,1,0,0,0|1,0,1]=4 986 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,1,1,0,0,0|1,0,1]=4 987 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,1,0,0,0|2,0,0]=4 988 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,1,0,0,0|2,0,0]=4 989 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,1,0,0,0|2,0,0]=4 990 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,1,0,0,0|2,0,0]=4 991 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,1,0,0,0|2,0,0]=4 992 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,1,0,0,0|2,0,0]=4 993 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,1,0,0,0|2,0,0]=4 994 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,1,0,0,0|2,0,0]=4 995 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,1,0,0,0|2,0,0]=4 996 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,1,0,0,0|1,0,0]=3 997 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,1,0,0,0|1,0,0]=3 998 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,1,0,0,0|1,0,0]=3 999 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,1,0,0,0|0,0,0]=2 1000 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,1,1,0,0,0|1,0,1]=4 1001 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,1,1,0,0,0|1,0,1]=4 1002 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,1,1,0,0,0|1,0,1]=4 1003 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,1,1,0,0,0|1,0,1]=4 1004 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,1,1,0,0,0|1,0,1]=4 1005 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,1,1,0,0,0|1,0,1]=4 1006 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,1,1,0,0,0|2,0,0]=4 1007 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,1,0,0,0|2,0,0]=4 1008 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,1,0,0,0|2,0,0]=4 1009 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,1,0,0,0|2,0,0]=4 1010 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,1,0,0,0|2,0,0]=4 1011 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,1,0,0,0|2,0,0]=4 1012 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,1,0,0,0|2,0,0]=4 1013 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,1,0,0,0|1,0,1]=4 1014 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,1,0,0,0|2,0,0]=4 1015 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,1,0,0,0|2,0,0]=4 1016 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,1,0,0,0|2,0,0]=4 1017 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,1,0,0,0|2,0,0]=4 1018 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,1,0,0,0|1,0,1]=4 1019 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,1,0,0,0|1,0,1]=4 1020 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,1,1,0,0,0|2,0,0]=4 1021 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,1,1,0,0,0|1,0,1]=4 1022 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,1,0,0,0|0,0,0]=2 1023 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,1,0,0,0|2,0,0]=4 1024 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,1,0,0,0|2,0,0]=4 1025 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,1,0,0,0|2,0,0]=4 1026 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,1,0,0,0|2,0,0]=4 1027 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,1,0,0,0|2,0,0]=4 1028 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,1,0,0,0|2,0,0]=4 1029 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,1,1,0,0,0|2,0,0]=4 1030 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,1,0,0,0|2,0,0]=4 1031 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,1,0,0,0|2,0,0]=4 1032 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,1,0,0,0|2,0,0]=4 1033 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,1,0,0,0|2,0,0]=4 1034 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,1,0,0,0|2,0,0]=4 1035 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,1,0,0,0|2,0,0]=4 1036 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,1,0,0,0|2,0,0]=4 1037 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,1,1,0,0,0|2,0,0]=4 1038 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,1,1,0,0,0|2,0,0]=4 1039 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,1,1,0,0,0|2,0,0]=4 1040 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,1,1,0,0,0|2,0,0]=4 1041 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,1,1,0,0,0|2,0,0]=4 1042 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,1,0,0,0|0,0,0]=2 1043 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,1,1,0,0,0|2,0,0]=4 1044 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,1,1,0,0,0|2,0,0]=4 1045 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,1,1,0,0,0|1,0,1]=4 1046 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,1,1,0,0,0|1,0,1]=4 1047 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,1,0,0,0|2,0,0]=4 1048 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,1,0,0,0|2,0,0]=4 1049 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,1,0,0,0|2,0,0]=4 1050 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,1,0,0,0|2,0,0]=4 1051 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,1,1,0,0,0|1,0,1]=4 1052 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,1,1,0,0,0|1,0,1]=4 1053 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,1,1,0,0,0|1,0,1]=4 1054 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,1,0,0,0|1,0,0]=3 1055 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,1,0,0,0|1,0,0]=3 1056 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,1,0,0,0|1,0,0]=3 1057 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,1,1,0,0,0|2,0,0]=4 1058 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,1,1,0,0,0|2,0,0]=4 1059 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,1,1,0,0,0|2,0,0]=4 1060 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,1,1,0,0,0|2,0,0]=4 1061 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,1,1,0,0,0|2,0,0]=4 1062 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,1,1,0,0,0|2,0,0]=4 1063 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,1,1,0,0,0|2,0,0]=4 1064 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,1,1,0,0,0|2,0,0]=4 1065 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,1,1,0,0,0|2,0,0]=4 1066 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,1,0,0,0|1,0,0]=3 1067 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,1,1,0,0,0|2,0,0]=4 1068 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,1,1,0,0,0|2,0,0]=4 1069 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,1,1,0,0,0|2,0,0]=4 1070 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,1,1,0,0,0|2,0,0]=4 1071 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,1,0,0,0|1,0,0]=3 1072 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,1,0,0,0|1,0,0]=3 1073 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,1,0,0,0|0,0,0]=2 1074 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,1,1,0,0,0|1,0,1]=4 1075 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,1,1,0,0,0|1,0,1]=4 1076 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,1,1,0,0,0|1,0,1]=4 1077 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,1,1,0,0,0|1,0,1]=4 1078 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,1,1,0,0,0|2,0,0]=4 1079 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,1,1,0,0,0|2,0,0]=4 1080 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,1,1,0,0,0|2,0,0]=4 1081 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,1,1,0,0,0|2,0,0]=4 1082 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,1,1,0,0,0|2,0,0]=4 1083 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,1,1,0,0,0|2,0,0]=4 1084 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,1,1,0,0,0|1,0,1]=4 1085 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,1,1,0,0,0|2,0,0]=4 1086 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,1,1,0,0,0|2,0,0]=4 1087 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,1,1,0,0,0|1,0,1]=4 1088 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,1,1,0,0,0|1,0,1]=4 1089 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,1,1,0,0,0|1,0,0]=3 1090 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,1,0,0,0|2,0,0]=4 1091 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,1,0,0,0|2,0,0]=4 1092 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,1,0,0,0|1,0,0]=3 1093 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,1,0,0,0|1,0,0]=3 1094 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,1,0,0,0|0,0,0]=2 1095 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,1,1,0,0,0|1,0,1]=4 1096 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,1,1,0,0,0|1,0,1]=4 1097 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,1,1,0,0,0|1,0,1]=4 1098 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,1,1,0,0,0|1,0,1]=4 1099 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,1,0,0,0|2,0,0]=4 1100 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,1,1,0,0,0|2,0,0]=4 1101 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,1,1,0,0,0|2,0,0]=4 1102 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,1,1,0,0,0|2,0,0]=4 1103 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,1,1,0,0,0|2,0,0]=4 1104 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,1,1,0,0,0|1,0,1]=4 1105 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,1,0,0,0|2,0,0]=4 1106 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,1,0,0,0|2,0,0]=4 1107 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,1,0,0,0|1,0,1]=4 1108 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,1,0,0,0|1,0,1]=4 1109 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,1,1,0,0,0|1,0,0]=3 1110 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,1,1,0,0,0|1,0,1]=4 1111 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,1,1,0,0,0|1,0,1]=4 1112 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,1,1,0,0,0|1,0,1]=4 1113 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,1,1,0,0,0|1,0,1]=4 1114 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,1,1,0,0,0|0,0,1]=3 1115 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,1,1,0,0,0|1,0,1]=4 1116 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,1,1,0,0,0|1,0,1]=4 1117 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,1,1,0,0,0|2,0,0]=4 1118 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,1,1,0,0,0|2,0,0]=4 1119 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,1,1,0,0,0|2,0,0]=4 1120 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,1,1,0,0,0|2,0,0]=4 1121 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,1,1,0,0,0|2,0,0]=4 1122 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,1,1,0,0,0|2,0,0]=4 1123 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,1,1,0,0,0|2,0,0]=4 1124 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 1125 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 1126 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,1,1,0,0,0|2,0,0]=4 1127 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,1,1,0,0,0|2,0,0]=4 1128 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,1,0,0,0|2,0,0]=4 1129 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,1,0,0,0|2,0,0]=4 1130 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,1,0,0,0|2,0,0]=4 1131 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,1,0,0,0|2,0,0]=4 1132 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,1,0,0,0|1,0,0]=3 1133 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,1,0,0,0|1,0,0]=3 1134 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,1,0,0,0|1,0,0]=3 1135 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,1,0,0,0|1,0,0]=3 1136 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,1,1,0,0,0|2,0,0]=4 1137 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,1,1,0,0,0|2,0,0]=4 1138 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,1,1,0,0,0|2,0,0]=4 1139 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,1,0,0,0|2,0,0]=4 1140 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,1,0,0,0|2,0,0]=4 1141 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,1,0,0,0|2,0,0]=4 1142 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,1,0,0,0|2,0,0]=4 1143 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,1,0,0,0|1,0,0]=3 1144 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,1,0,0,0|0,0,1]=3 1145 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,1,1,0,0,0|1,0,1]=4 1146 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,1,1,0,0,0|1,0,0]=3 1147 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,1,1,0,0,0|2,0,0]=4 1148 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,1,1,0,0,0|1,0,1]=4 1149 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,1,0,0,0|0,0,0]=2 1150 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,1,0,0,0|0,0,0]=2 1151 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,1,1,0,0,0|1,0,0]=3 1152 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,1,1,0,0,0|1,0,0]=3 1153 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,1,0,0,0|0,0,1]=3 1154 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,1,1,0,0,0|1,0,1]=4 1155 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,1,1,0,0,0|1,0,1]=4 1156 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,1,1,0,0,0|1,0,1]=4 1157 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,1,0,0,0|1,0,1]=4 1158 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,1,0,0,0|1,0,1]=4 1159 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,1,0,0,0|1,0,1]=4 1160 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,1,0,0,0|1,0,1]=4 1161 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,1,1,0,0,0|1,0,1]=4 1162 B8R0.7 O=[N+]([O-])CNCCCF 34a_100015189416_100000761209 [0,1,1,0,0,0|1,0,1]=4 1163 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,1,0,0,0|2,0,0]=4 1164 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,1,1,0,0,0|2,0,0]=4 1165 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,1,0,0,0|1,0,0]=3 1166 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,1,0,0,0|1,0,0]=3 1167 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,1,1,0,0,0|2,0,0]=4 1168 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,1,1,0,0,0|2,0,0]=4 1169 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,1,1,0,0,0|2,0,0]=4 1170 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,1,1,0,0,0|2,0,0]=4 1171 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,1,1,0,0,0|0,0,2]=4 1172 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,1,1,0,0,0|2,0,0]=4 1173 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,1,1,0,0,0|0,0,2]=4 1174 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,1,0,0,0|2,0,0]=4 1175 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,1,1,0,0,0|2,0,0]=4 1176 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,1,1,0,0,0|2,0,0]=4 1177 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,1,1,0,0,0|2,0,0]=4 1178 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,1,1,0,0,0|2,0,0]=4 1179 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,1,0,0,0|2,0,0]=4 1180 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,1,0,0,0|2,0,0]=4 1181 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,1,0,0,0|2,0,0]=4 1182 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,1,0,0,0|2,0,0]=4 1183 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,1,0,0,0|2,0,0]=4 1184 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,1,0,0,0|2,0,0]=4 1185 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|1,0,1]=4 1186 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,1,0,0,0|1,0,1]=4 1187 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|1,0,1]=4 1188 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,1,0,0,0|0,0,0]=2 1189 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,1,0,0,0|1,0,0]=3 1190 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,1,0,0,0|1,0,0]=3 1191 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,1,0,0,0|2,0,0]=4 1192 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,1,0,0,0|2,0,0]=4 1193 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,1,0,0,0|2,0,0]=4 1194 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,1,0,0,0|1,0,1]=4 1195 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,1,0,0,0|1,0,1]=4 1196 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,1,0,0,0|2,0,0]=4 1197 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,1,0,0,0|2,0,0]=4 1198 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,1,0,0,0|2,0,0]=4 1199 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,1,0,0,0|2,0,0]=4 1200 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,1,0,0,0|2,0,0]=4 1201 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,1,0,0,0|2,0,0]=4 1202 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,1,0,0,0|2,0,0]=4 1203 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,1,0,0,0|2,0,0]=4 1204 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,1,0,0,0|1,0,1]=4 1205 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,1,0,0,0|1,0,1]=4 1206 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,1,0,0,0|2,0,0]=4 1207 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,1,0,0,0|2,0,0]=4 1208 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,1,0,0,0|1,0,0]=3 1209 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,1,1,0,0,0|2,0,0]=4 1210 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,1,0,0,0|1,0,0]=3 1211 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,1,1,0,0,0|2,0,0]=4 1212 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,1,1,0,0,0|2,0,0]=4 1213 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,1,1,0,0,0|2,0,0]=4 1214 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,1,1,0,0,0|2,0,0]=4 1215 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,1,1,0,0,0|2,0,0]=4 1216 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,1,1,0,0,0|2,0,0]=4 1217 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,1,1,0,0,0|1,0,1]=4 1218 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,1,1,0,0,0|1,0,1]=4 1219 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,1,0,0,0|1,0,0]=3 1220 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,1,0,0,0|1,0,0]=3 1221 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,1,1,0,0,0|2,0,0]=4 1222 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,1,1,0,0,0|2,0,0]=4 1223 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,1,1,0,0,0|2,0,0]=4 1224 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,1,1,0,0,0|2,0,0]=4 1225 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,1,1,0,0,0|1,0,1]=4 1226 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,1,1,0,0,0|2,0,0]=4 1227 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,1,1,0,0,0|1,0,1]=4 1228 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,1,1,0,0,0|1,0,1]=4 1229 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,1,1,0,0,0|0,0,2]=4 1230 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,1,1,0,0,0|2,0,0]=4 1231 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,1,1,0,0,0|2,0,0]=4 1232 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,1,0,0,0|0,0,2]=4 1233 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,1,1,0,0,0|1,0,1]=4 1234 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|2,0,0]=4 1235 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|1,0,1]=4 1236 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,1,0,0,0|2,0,0]=4 1237 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,1,0,0,0|1,0,1]=4 1238 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,1,1,0,0,0|1,0,1]=4 1239 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,1,1,0,0,0|1,0,1]=4 1240 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,1,1,0,0,0|1,0,1]=4 1241 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,1,0,0,0|1,0,1]=4 1242 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,1,0,0,0|2,0,0]=4 1243 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,1,0,0,0|2,0,0]=4 1244 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,1,0,0,0|1,0,0]=3 1245 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,1,0,0,0|1,0,0]=3 1246 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,1,0,0,0|0,0,0]=2 1247 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,1,0,0,0|1,0,1]=4 1248 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,1,0,0,0|1,0,1]=4 1249 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,1,0,0,0|1,0,1]=4 1250 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,1,0,0,0|1,0,1]=4 1251 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,1,0,0,0|2,0,0]=4 1252 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,1,0,0,0|2,0,0]=4 1253 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,1,0,0,0|2,0,0]=4 1254 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,1,0,0,0|2,0,0]=4 1255 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,1,0,0,0|2,0,0]=4 1256 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,1,0,0,0|1,0,1]=4 1257 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,1,0,0,0|1,0,1]=4 1258 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,1,0,0,0|1,0,0]=3 1259 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,1,0,0,0|2,0,0]=4 1260 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,1,0,0,0|1,0,0]=3 1261 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [0,1,1,0,0,0|1,0,1]=4 1262 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,1,1,0,0,0|1,0,1]=4 1263 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,1,0,0,0|0,0,1]=3 1264 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,1,1,0,0,0|2,0,0]=4 1265 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,1,1,0,0,0|2,0,0]=4 1266 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,1,1,0,0,0|2,0,0]=4 1267 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,1,1,0,0,0|2,0,0]=4 1268 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,1,1,0,0,0|0,0,2]=4 1269 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,1,1,0,0,0|2,0,0]=4 1270 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,1,1,0,0,0|2,0,0]=4 1271 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,1,1,0,0,0|2,0,0]=4 1272 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,1,1,0,0,0|2,0,0]=4 1273 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,1,0,0,0|1,0,1]=4 1274 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,1,0,0,0|2,0,0]=4 1275 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,1,0,0,0|2,0,0]=4 1276 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,1,0,0,0|2,0,0]=4 1277 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,1,0,0,0|2,0,0]=4 1278 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,1,0,0,0|2,0,0]=4 1279 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,1,0,0,0|2,0,0]=4 1280 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,1,0,0,0|2,0,0]=4 1281 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,1,1,0,0,0|2,0,0]=4 1282 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,1,1,0,0,0|2,0,0]=4 1283 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,1,0,0,0|2,0,0]=4 1284 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,1,0,0,0|1,0,1]=4 1285 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,1,0,0,0|2,0,0]=4 1286 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,1,0,0,0|1,0,0]=3 1287 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,1,0,0,0|1,0,0]=3 1288 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,1,0,0,0|1,0,0]=3 1289 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,1,0,0,0|0,0,0]=2 1290 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,1,0,0,0|0,0,1]=3 1291 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,1,1,0,0,0|1,0,1]=4 1292 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,1,1,0,0,0|1,0,1]=4 1293 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,1,1,0,0,0|1,0,1]=4 1294 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,1,1,0,0,0|1,0,1]=4 1295 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,1,1,0,0,0|1,0,1]=4 1296 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,1,1,0,0,0|1,0,1]=4 1297 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,1,1,0,0,0|1,0,1]=4 1298 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,1,1,0,0,0|1,0,1]=4 1299 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,1,0,0,0|2,0,0]=4 1300 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,1,0,0,0|2,0,0]=4 1301 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,1,0,0,0|1,0,1]=4 1302 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,1,0,0,0|2,0,0]=4 1303 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,1,0,0,0|2,0,0]=4 1304 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,1,0,0,0|1,0,1]=4 1305 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,1,0,0,0|1,0,1]=4 1306 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,1,1,0,0,0|2,0,0]=4 1307 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,1,0,0,0|2,0,0]=4 1308 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,1,0,0,0|1,0,1]=4 1309 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,1,0,0,0|1,0,0]=3 1310 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,1,0,0,0|1,0,0]=3 1311 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|1,0,0]=3 1312 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,1,0,0,0|0,0,0]=2 1313 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|0,0,1]=3 1314 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,1,1,0,0,0|1,0,1]=4 1315 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,1,1,0,0,0|1,0,1]=4 1316 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,1,1,0,0,0|1,0,1]=4 1317 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,1,1,0,0,0|1,0,1]=4 1318 B8R0.28 CC(O)CNC[N+](=O)[O-] 34a_100000210904_100000761209 [0,1,1,0,0,0|1,0,1]=4 1319 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,1,0,0,0|2,0,0]=4 1320 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,1,0,0,0|2,0,0]=4 1321 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,1,0,0,0|1,0,1]=4 1322 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,1,0,0,0|1,0,1]=4 1323 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,1,0,0,0|2,0,0]=4 1324 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,1,0,0,0|2,0,0]=4 1325 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,1,0,0,0|2,0,0]=4 1326 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,1,0,0,0|1,0,1]=4 1327 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,1,0,0,0|2,0,0]=4 1328 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,1,0,0,0|1,0,1]=4 1329 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,1,0,0,0|1,0,0]=3 1330 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,1,0,0,0|0,0,0]=2 1331 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,1,0,0,0|2,0,0]=4 1332 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,1,0,0,0|2,0,0]=4 1333 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,1,0,0,0|1,0,1]=4 1334 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,1,0,0,0|1,0,1]=4 1335 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,1,1,0,0,0|1,0,1]=4 1336 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,1,1,0,0,0|2,0,0]=4 1337 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,1,1,0,0,0|2,0,0]=4 1338 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,1,1,0,0,0|1,0,0]=3 1339 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,1,1,0,0,0|2,0,0]=4 1340 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,1,1,0,0,0|1,0,1]=4 1341 B8R0.28 O=C([O-])CNCC(F)F 34a_100000765723_100020667443 [0,1,1,0,0,0|1,0,1]=4 1342 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,1,0,0,0|1,0,0]=3 1343 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,1,0,0,0|2,0,0]=4 1344 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,1,0,0,0|2,0,0]=4 1345 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,1,0,0,0|2,0,0]=4 1346 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,1,0,0,0|1,0,0]=3 1347 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,1,0,0,0|1,0,0]=3 1348 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,1,0,0,0|1,0,0]=3 1349 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,1,0,0,0|1,0,0]=3 1350 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,1,0,0,0|1,0,0]=3 1351 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,1,0,0,0|1,0,0]=3 1352 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,1,0,0,0|1,0,0]=3 1353 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,1,0,0,0|0,0,0]=2 1354 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,1,0,0,0|1,0,0]=3 1355 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,1,1,0,0,0|2,0,0]=4 1356 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,1,1,0,0,0|2,0,0]=4 1357 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,1,0,0,0|1,0,0]=3 1358 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,1,0,0,0|1,0,0]=3 1359 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,1,0,0,0|2,0,0]=4 1360 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,1,0,0,0|2,0,0]=4 1361 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,1,0,0,0|2,0,0]=4 1362 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,1,1,0,0,0|2,0,0]=4 1363 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,1,0,0,0|2,0,0]=4 1364 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,1,0,0,0|2,0,0]=4 1365 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,1,0,0,0|2,0,0]=4 1366 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,1,0,0,0|2,0,0]=4 1367 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,1,0,0,0|2,0,0]=4 1368 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|1,0,0]=3 1369 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,1,0,0,0|2,0,0]=4 1370 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1371 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1372 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 1373 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 1374 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 1375 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,1,0,0,0|2,0,0]=4 1376 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,1,0,0,0|2,0,0]=4 1377 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,1,0,0,0|2,0,0]=4 1378 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,1,0,0,0|1,0,1]=4 1379 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,1,0,0,0|1,0,1]=4 1380 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,1,0,0,0|1,0,1]=4 1381 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,1,0,0,0|1,0,0]=3 1382 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,1,0,0,0|1,0,0]=3 1383 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,1,0,0,0|0,0,0]=2 1384 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,1,0,0,0|2,0,0]=4 1385 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,1,0,0,0|1,0,0]=3 1386 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,1,0,0,0|1,0,0]=3 1387 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,1,0,0,0|2,0,0]=4 1388 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,1,0,0,0|2,0,0]=4 1389 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,1,0,0,0|2,0,0]=4 1390 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,1,0,0,0|2,0,0]=4 1391 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,1,0,0,0|2,0,0]=4 1392 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,1,0,0,0|2,0,0]=4 1393 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,1,0,0,0|2,0,0]=4 1394 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,1,0,0,0|2,0,0]=4 1395 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,1,0,0,0|1,0,0]=3 1396 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,1,0,0,0|1,0,0]=3 1397 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,1,0,0,0|2,0,0]=4 1398 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,1,0,0,0|2,0,0]=4 1399 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,1,0,0,0|2,0,0]=4 1400 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,1,0,0,0|2,0,0]=4 1401 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,1,0,0,0|2,0,0]=4 1402 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,1,0,0,0|2,0,0]=4 1403 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,1,0,0,0|2,0,0]=4 1404 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,1,0,0,0|2,0,0]=4 1405 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,1,0,0,0|2,0,0]=4 1406 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,1,0,0,0|2,0,0]=4 1407 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,1,0,0,0|1,0,0]=3 1408 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,1,0,0,0|1,0,0]=3 1409 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,1,1,0,0,0|2,0,0]=4 1410 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,1,0,0,0|2,0,0]=4 1411 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,1,0,0,0|2,0,0]=4 1412 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,1,0,0,0|2,0,0]=4 1413 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,1,0,0,0|2,0,0]=4 1414 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,1,0,0,0|2,0,0]=4 1415 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,1,0,0,0|2,0,0]=4 1416 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,1,0,0,0|2,0,0]=4 1417 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,1,0,0,0|2,0,0]=4 1418 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,1,0,0,0|2,0,0]=4 1419 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,1,0,0,0|2,0,0]=4 1420 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,1,0,0,0|2,0,0]=4 1421 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,1,0,0,0|1,0,0]=3 1422 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,1,0,0,0|2,0,0]=4 1423 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,1,0,0,0|2,0,0]=4 1424 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,1,0,0,0|2,0,0]=4 1425 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,1,0,0,0|2,0,0]=4 1426 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,1,0,0,0|2,0,0]=4 1427 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,1,0,0,0|2,0,0]=4 1428 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,1,0,0,0|1,0,0]=3 1429 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,1,0,0,0|2,0,0]=4 1430 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,1,1,0,0,0|2,0,0]=4 1431 B8R0.12 CC(C)(NCF)C(=O)N 34a_100000743658_100015361967 [0,1,1,0,0,0|2,0,0]=4 1432 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,1,1,0,0,0|2,0,0]=4 1433 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,1,0,0,0|2,0,0]=4 1434 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,1,0,0,0|2,0,0]=4 1435 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,1,1,0,0,0|1,0,0]=3 1436 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,1,1,0,0,0|1,0,0]=3 1437 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,1,1,0,0,0|1,0,0]=3 1438 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,1,0,0,0|2,0,0]=4 1439 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,1,0,0,0|2,0,0]=4 1440 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,1,0,0,0|2,0,0]=4 1441 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,1,0,0,0|2,0,0]=4 1442 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,1,0,0,0|2,0,0]=4 1443 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,1,0,0,0|2,0,0]=4 1444 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,1,0,0,0|2,0,0]=4 1445 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,1,0,0,0|2,0,0]=4 1446 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,1,0,0,0|2,0,0]=4 1447 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,1,1,0,0,0|2,0,0]=4 1448 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,1,1,0,0,0|2,0,0]=4 1449 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,1,1,0,0,0|2,0,0]=4 1450 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,1,1,0,0,0|2,0,0]=4 1451 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,1,1,0,0,0|2,0,0]=4 1452 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,1,1,0,0,0|2,0,0]=4 1453 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [0,1,1,0,0,0|1,0,1]=4 1454 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [0,1,1,0,0,0|1,0,1]=4 1455 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,1,1,0,0,0|0,0,1]=3 1456 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,1,1,0,0,0|1,0,1]=4 1457 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,1,1,0,0,0|2,0,0]=4 1458 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,1,0,0,0|2,0,0]=4 1459 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,1,0,0,0|2,0,0]=4 1460 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,1,0,0,0|2,0,0]=4 1461 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,1,1,0,0,0|2,0,0]=4 1462 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,1,1,0,0,0|2,0,0]=4 1463 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,1,1,0,0,0|2,0,0]=4 1464 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,1,1,0,0,0|2,0,0]=4 1465 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,1,1,0,0,0|1,0,0]=3 1466 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,1,1,0,0,0|1,0,0]=3 1467 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,1,1,0,0,0|0,0,0]=2 1468 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,1,1,0,0,0|1,0,0]=3 1469 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,1,1,0,0,0|1,0,0]=3 1470 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,1,1,0,0,0|0,0,0]=2 1471 B8R0.15 CCNC(C#N)C(=O)N 2230a_100000039599_100000210202 [0,1,1,0,0,0|1,0,1]=4 1472 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,1,1,0,0,0|1,0,0]=3 1473 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,1,1,0,0,0|1,0,0]=3 1474 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,1,1,0,0,0|1,0,0]=3 1475 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,1,1,0,0,0|0,0,0]=2 1476 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,1,1,0,0,0|1,0,1]=4 1477 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,1,1,0,0,0|1,0,1]=4 1478 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,1,1,0,0,0|1,0,0]=3 1479 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,1,1,0,0,0|1,0,0]=3 1480 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,1,1,0,0,0|0,0,0]=2 1481 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [0,1,1,0,0,0|1,0,1]=4 1482 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [0,1,1,0,0,0|1,0,1]=4 1483 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,1,1,0,0,0|2,0,0]=4 1484 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,1,1,0,0,0|2,0,0]=4 1485 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,1,1,0,0,0|2,0,0]=4 1486 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,1,1,0,0,0|1,0,0]=3 1487 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,1,1,0,0,0|1,0,0]=3 1488 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,1,1,0,0,0|1,0,0]=3 1489 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,1,1,0,0,0|1,0,0]=3 1490 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,1,1,0,0,0|1,0,0]=3 1491 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,1,1,0,0,0|1,0,0]=3 1492 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,1,1,0,0,0|1,0,0]=3 1493 B8R0.15 NC(=O)[C@H](CO)NCF 34a_100000729942_100015361967 [0,1,1,0,0,0|2,0,0]=4 1494 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,1,1,0,0,0|1,0,0]=3 1495 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,1,0,0,0|2,0,0]=4 1496 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,1,0,0,0|1,0,0]=3 1497 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,1,0,0,0|2,0,0]=4 1498 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,1,0,0,0|2,0,0]=4 1499 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,1,0,0,0|2,0,0]=4 1500 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,1,0,0,0|1,0,1]=4 1501 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,1,1,0,0,0|1,0,1]=4 1502 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,1,1,0,0,0|1,0,1]=4 1503 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,1,1,0,0,0|1,0,1]=4 1504 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,1,0,0,0|1,0,1]=4 1505 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,1,0,0,0|2,0,0]=4 1506 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,1,0,0,0|2,0,0]=4 1507 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,1,0,0,0|1,0,0]=3 1508 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,1,0,0,0|1,0,0]=3 1509 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,1,0,0,0|2,0,0]=4 1510 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,1,0,0,0|2,0,0]=4 1511 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,1,0,0,0|1,0,1]=4 1512 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,1,0,0,0|0,0,0]=2 1513 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,1,0,0,0|1,0,0]=3 1514 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,1,0,0,0|1,0,0]=3 1515 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,1,0,0,0|2,0,0]=4 1516 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,1,0,0,0|1,0,1]=4 1517 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,1,0,0,0|2,0,0]=4 1518 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,1,0,0,0|2,0,0]=4 1519 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,1,0,0,0|2,0,0]=4 1520 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,1,0,0,0|2,0,0]=4 1521 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,1,1,0,0,0|2,0,0]=4 1522 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,1,1,0,0,0|2,0,0]=4 1523 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,1,0,0,0|0,0,0]=2 1524 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,1,0,0,0|0,0,0]=2 1525 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,1,1,0,0,0|2,0,0]=4 1526 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,1,1,0,0,0|1,0,0]=3 1527 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,1,1,0,0,0|1,0,0]=3 1528 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,1,1,0,0,0|1,0,0]=3 1529 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,1,1,0,0,0|1,0,0]=3 1530 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,1,1,0,0,0|1,0,0]=3 1531 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,1,1,0,0,0|1,0,0]=3 1532 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,1,1,0,0,0|1,0,0]=3 1533 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,1,1,0,0,0|1,0,0]=3 1534 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,1,0,0,0|1,0,0]=3 1535 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,1,0,0,0|1,0,0]=3 1536 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,1,0,0,0|1,0,0]=3 1537 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,1,0,0,0|1,0,0]=3 1538 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,1,0,0,0|0,0,0]=2 1539 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,1,0,0,0|0,0,0]=2 1540 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,1,1,0,0,0|1,0,0]=3 1541 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,1,0,0,0|2,0,0]=4 1542 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,1,1,0,0,0|2,0,0]=4 1543 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,1,1,0,0,0|2,0,0]=4 1544 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,1,1,0,0,0|1,0,0]=3 1545 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,1,1,0,0,0|2,0,0]=4 1546 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,1,1,0,0,0|2,0,0]=4 1547 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,1,1,0,0,0|2,0,0]=4 1548 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,1,1,0,0,0|2,0,0]=4 1549 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,1,1,0,0,0|2,0,0]=4 1550 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,1,1,0,0,0|2,0,0]=4 1551 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,1,1,0,0,0|2,0,0]=4 1552 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,1,1,0,0,0|2,0,0]=4 1553 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,1,1,0,0,0|2,0,0]=4 1554 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,1,1,0,0,0|2,0,0]=4 1555 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,1,1,0,0,0|1,0,0]=3 1556 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,1,1,0,0,0|2,0,0]=4 1557 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1558 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1559 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1560 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,1,1,0,0,0|0,0,0]=2 1561 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,1,1,0,0,0|0,0,0]=2 1562 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,1,1,0,0,0|0,0,0]=2 1563 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,1,1,0,0,0|2,0,0]=4 1564 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,1,1,0,0,0|2,0,0]=4 1565 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,1,1,0,0,0|2,0,0]=4 1566 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,1,1,0,0,0|2,0,0]=4 1567 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,1,1,0,0,0|2,0,0]=4 1568 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,1,1,0,0,0|1,0,0]=3 1569 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,1,1,0,0,0|1,0,0]=3 1570 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,1,1,0,0,0|1,0,0]=3 1571 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,1,1,0,0,0|1,0,0]=3 1572 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,1,1,0,0,0|1,0,0]=3 1573 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,1,1,0,0,0|1,0,0]=3 1574 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,1,1,0,0,0|1,0,0]=3 1575 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,1,1,0,0,0|1,0,0]=3 1576 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,1,1,0,0,0|1,0,0]=3 1577 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,1,1,0,0,0|2,0,0]=4 1578 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,1,1,0,0,0|2,0,0]=4 1579 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,1,1,0,0,0|1,0,0]=3 1580 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,1,1,0,0,0|1,0,0]=3 1581 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,1,1,0,0,0|1,0,0]=3 1582 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,1,1,0,0,0|1,0,0]=3 1583 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,1,1,0,0,0|1,0,1]=4 1584 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,1,1,0,0,0|1,0,0]=3 1585 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,1,1,0,0,0|1,0,0]=3 1586 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,1,1,0,0,0|2,0,0]=4 1587 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,1,1,0,0,0|2,0,0]=4 1588 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,1,1,0,0,0|2,0,0]=4 1589 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,1,1,0,0,0|2,0,0]=4 1590 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,1,1,0,0,0|2,0,0]=4 1591 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,1,1,0,0,0|2,0,0]=4 1592 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,1,1,0,0,0|2,0,0]=4 1593 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,1,1,0,0,0|2,0,0]=4 1594 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,1,1,0,0,0|2,0,0]=4 1595 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,1,1,0,0,0|2,0,0]=4 1596 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,1,1,0,0,0|2,0,0]=4 1597 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,1,1,0,0,0|2,0,0]=4 1598 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,1,1,0,0,0|2,0,0]=4 1599 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,1,1,0,0,0|2,0,0]=4 1600 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,1,1,0,0,0|2,0,0]=4 1601 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,1,1,0,0,0|2,0,0]=4 1602 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,1,1,0,0,0|2,0,0]=4 1603 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,1,1,0,0,0|0,0,0]=2 1604 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,1,1,0,0,0|0,0,0]=2 1605 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1606 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,1,0,0,0,0|1,0,1]=4 1607 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1608 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,1,0,0,0,0|1,0,1]=4 1609 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,1,0,0,0,0|1,0,1]=4 1610 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,1,0,0,0,0|0,0,1]=3 1611 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,1,0,0,0,0|2,0,0]=4 1612 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,1,0,0,0,0|2,0,0]=4 1613 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1614 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1615 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,1,0,0,0,0|1,0,1]=4 1616 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,1,0,0,0,0|1,0,1]=4 1617 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,1,0,0,0,0|0,0,1]=3 1618 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,1,0,0,0,0|1,0,1]=4 1619 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,1,0,0,0,0|1,0,1]=4 1620 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,1,0,0,0,0|1,0,1]=4 1621 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,1,0,0,0,0|1,0,1]=4 1622 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,1,0,0,0,0|1,0,1]=4 1623 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,1,0,0,0,0|1,0,1]=4 1624 B8R1.11 CN1CCCC1C#N 2230a_100000701862_200000210301 [1,1,0,0,0,0|1,0,1]=4 1625 B8R1.11 CN1CCC[C@@H]1C#N 2230a_106645074975_200000210301 [1,1,0,0,0,0|1,0,1]=4 1626 B8R1.11 CN1CCC[C@@H]1C#N 269982a_106645074975_200000210301 [1,1,0,0,0,0|1,0,1]=4 1627 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,1,0,0,0,0|0,0,1]=3 1628 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,1,0,0,0,0|0,0,1]=3 1629 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,1,0,0,0,0|0,0,1]=3 1630 B8R1.11 [13CH3]N1CCCC1C#N 2230a_100000701862_200025704644 [1,1,0,0,0,0|1,0,1]=4 1631 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 2230a_106645074975_200025704644 [1,1,0,0,0,0|1,0,1]=4 1632 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 269982a_106645074975_200025704644 [1,1,0,0,0,0|1,0,1]=4 1633 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,1,0,0,0,0|0,0,1]=3 1634 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,1,0,0,0,0|0,0,1]=3 1635 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,1,0,0,0,0|0,0,1]=3 1636 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,0,1,0|1,0,1]=4 1637 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,0,1,0|1,0,1]=4 1638 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,0,1,0|1,0,0]=3 1639 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,0,1,0|1,0,0]=3 1640 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,1,0,0,1,0|2,0,0]=4 1641 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,0,1,0|2,0,0]=4 1642 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,0,1,0|2,0,0]=4 1643 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,0,1,0|2,0,0]=4 1644 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,0,1,0|2,0,0]=4 1645 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,0,1,0|2,0,0]=4 1646 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,0,1,0|2,0,0]=4 1647 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,0,1,0|2,0,0]=4 1648 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,0,1,0|2,0,0]=4 1649 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,0,1,0|2,0,0]=4 1650 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,0,1,0|1,0,1]=4 1651 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,0,1,0|1,0,0]=3 1652 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,0,1,0|1,0,0]=3 1653 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,1,0,0,1,0|2,0,0]=4 1654 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,1,0,0,1,0|2,0,0]=4 1655 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,0,1,0|1,0,0]=3 1656 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,0,1,0|1,0,1]=4 1657 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 1658 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,1,0,0,1,0|2,0,0]=4 1659 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,0,1,0|1,0,1]=4 1660 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,0,1,0|2,0,0]=4 1661 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,0,1,0|2,0,0]=4 1662 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,0,1,0|2,0,0]=4 1663 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,0,1,0|0,0,0]=2 1664 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,0,1,0|0,0,0]=2 1665 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,0,1,0|1,0,0]=3 1666 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,1,0,0,1,0|2,0,0]=4 1667 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,0,1,0|1,0,0]=3 1668 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,1,0,0,1,0|2,0,0]=4 1669 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,1,0,0,1,0|2,0,0]=4 1670 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,0,1,0|1,0,1]=4 1671 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,0,1,0|1,0,1]=4 1672 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,0,1,0|1,0,0]=3 1673 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,0,1,0|1,0,0]=3 1674 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,0,1,0|2,0,0]=4 1675 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,0,1,0|2,0,0]=4 1676 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,0,1,0|2,0,0]=4 1677 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 1678 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 1679 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 1680 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,0,1,0|1,0,0]=3 1681 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,0,1,0|1,0,0]=3 1682 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,0,1,0|1,0,0]=3 1683 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,0,1,0|1,0,0]=3 1684 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,0,1,0|2,0,0]=4 1685 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,0,1,0|2,0,0]=4 1686 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,0,1,0|2,0,0]=4 1687 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,0,1,0|2,0,0]=4 1688 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,0,1,0|2,0,0]=4 1689 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,0,1,0|2,0,0]=4 1690 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,0,1,0|2,0,0]=4 1691 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,0,1,0|2,0,0]=4 1692 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,0,1,0|2,0,0]=4 1693 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,0,1,0|2,0,0]=4 1694 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,0,1,0|1,0,1]=4 1695 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,0,1,0|1,0,1]=4 1696 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,0,1,0|1,0,0]=3 1697 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,0,1,0|2,0,0]=4 1698 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,0,1,0|2,0,0]=4 1699 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,0,1,0|0,0,0]=2 1700 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,0,1,0|1,0,0]=3 1701 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,0,1,0|1,0,0]=3 1702 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,0,1,0|1,0,0]=3 1703 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,0,1,0|1,0,0]=3 1704 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,0,1,0|1,0,0]=3 1705 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,1,0,0,1,0|2,0,0]=4 1706 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,0,1,0|2,0,0]=4 1707 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,0,1,0|1,0,0]=3 1708 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,1,0,0,1,0|2,0,0]=4 1709 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,0,1,0|1,0,0]=3 1710 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,0,1,0|2,0,0]=4 1711 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,1,0,0,0,1|2,0,0]=4 1712 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,1,0,0,0,1|2,0,0]=4 1713 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,1,0,0,0,1|1,0,1]=4 1714 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,0,0,1|2,0,0]=4 1715 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,0,0,1|2,0,0]=4 1716 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,0,0,1|2,0,0]=4 1717 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,0,0,1|2,0,0]=4 1718 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1719 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1720 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1721 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,0,0,1|1,0,0]=3 1722 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,0,0,1|2,0,0]=4 1723 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 1724 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,1,0,0,0,1|1,0,1]=4 1725 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,0,0,1|2,0,0]=4 1726 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1727 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1728 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1729 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,0,0,1|1,0,0]=3 1730 B10R1.15 C#CC(=O)C1C=CCCC1 1458a_100000211873_100000751183 [0,1,0,0,0,1|2,0,0]=4 1731 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,0,0,1|2,0,0]=4 1732 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,0,0,1|2,0,0]=4 1733 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,0,0,1|2,0,0]=4 1734 B10R1.15 C=CC(=O)C1C=CCCC1 1458a_100000185746_100000751183 [0,1,0,0,0,1|2,0,0]=4 1735 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,0,0,1|2,0,0]=4 1736 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,0,0,1|2,0,0]=4 1737 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,0,0,1|2,0,0]=4 1738 B10R1.15 CC(O[13CH3])C1CCCNC1 34a_100000740858_200025704644 [0,1,0,0,0,1|1,0,1]=4 1739 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,0,0,1|2,0,0]=4 1740 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,0,0,1|2,0,0]=4 1741 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,0,0,1|2,0,0]=4 1742 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,0,0,1|2,0,0]=4 1743 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,0,0,1|2,0,0]=4 1744 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,0,0,1|2,0,0]=4 1745 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,0,0,1|2,0,0]=4 1746 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,0,0,1|2,0,0]=4 1747 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,0,0,1|2,0,0]=4 1748 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,0,0,1|2,0,0]=4 1749 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,1,0,0,0,1|2,0,0]=4 1750 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,0,0,1|2,0,0]=4 1751 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,0,0,1|2,0,0]=4 1752 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,0,0,1|2,0,0]=4 1753 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,0,0,1|2,0,0]=4 1754 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,0,0,1|2,0,0]=4 1755 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,0,0,1|2,0,0]=4 1756 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,0,0,1|2,0,0]=4 1757 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,0,0,1|2,0,0]=4 1758 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,0,0,1|2,0,0]=4 1759 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,0,0,1|2,0,0]=4 1760 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,0,0,1|2,0,0]=4 1761 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,0,0,1|2,0,0]=4 1762 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,0,0,1|2,0,0]=4 1763 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,0,0,1|2,0,0]=4 1764 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,0,0,1|2,0,0]=4 1765 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,0,0,1|2,0,0]=4 1766 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,0,0,1|2,0,0]=4 1767 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1768 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1769 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1770 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,0,0,1|2,0,0]=4 1771 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,0,0,1|2,0,0]=4 1772 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,0,0,1|2,0,0]=4 1773 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,0,0,1|2,0,0]=4 1774 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,1,0,0,0,1|2,0,0]=4 1775 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,1,0,0,0,1|2,0,0]=4 1776 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,1,0,0,0,1|2,0,0]=4 1777 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,1,0,0,0,1|2,0,0]=4 1778 B10R1.15 COC(C)C1CCCNC1 34a_100000740858_200000210301 [0,1,0,0,0,1|1,0,1]=4 1779 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,0,0,1|2,0,0]=4 1780 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,0,0,1|2,0,0]=4 1781 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,0,0,1|2,0,0]=4 1782 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,0,0,1|2,0,0]=4 1783 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,0,0,1|2,0,0]=4 1784 B10R1.15 O=C(CF)C1COCCO1 1458a_100000045528_100015361967 [0,1,0,0,0,1|2,0,0]=4 1785 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,1,0,0,0,1|2,0,0]=4 1786 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,0,0,1|1,0,0]=3 1787 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,1|1,0,0]=3 1788 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,0,0,1|1,0,0]=3 1789 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,0,0,1|1,0,0]=3 1790 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,0,0,1|2,0,0]=4 1791 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,0,0,1|2,0,0]=4 1792 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,0,0,1|2,0,0]=4 1793 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,0,0,1|2,0,0]=4 1794 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,0,0,1|2,0,0]=4 1795 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,0,0,1|2,0,0]=4 1796 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,0,0,1|2,0,0]=4 1797 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,0,0,1|2,0,0]=4 1798 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,0,0,1|1,0,0]=3 1799 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,0,0,1|1,0,0]=3 1800 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,0,0,1|2,0,0]=4 1801 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,0,0,1|1,0,0]=3 1802 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,0,0,1|2,0,0]=4 1803 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,0,0,1|1,0,0]=3 1804 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,0,0,1|1,0,0]=3 1805 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,0,0,1|1,0,0]=3 1806 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,0,0,1|0,0,0]=2 1807 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,0,0,1|1,0,0]=3 1808 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,0,0,1|0,0,0]=2 1809 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,0,0,1|0,0,0]=2 1810 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,0,0,1|0,0,0]=2 1811 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,0,0,1|2,0,0]=4 1812 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,0,0,1|1,0,0]=3 1813 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,0,0,1|1,0,0]=3 1814 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,0,0,1|1,0,0]=3 1815 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,0,0,1|1,0,0]=3 1816 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,0,0,1|0,0,0]=2 1817 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,0,0,1|0,0,0]=2 1818 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,0,0,1|0,0,0]=2 1819 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,0,0,1|0,0,0]=2 1820 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,0,0,1|2,0,0]=4 1821 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,0,0,1|2,0,0]=4 1822 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,0,0,1|1,0,0]=3 1823 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,1,0,0,0,1|2,0,0]=4 1824 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,1,0,0,0,1|1,0,1]=4 1825 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,1,0,0,0,1|1,0,1]=4 1826 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,0,0,1|1,0,0]=3 1827 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,1,0,0,0,1|1,0,1]=4 1828 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,1,0,0,0,1|1,0,1]=4 1829 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,1,0,0,0,1|1,0,1]=4 1830 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,1,0,0,0,1|1,0,1]=4 1831 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,1,0,0,0,1|1,0,1]=4 1832 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,1,0,0,0,1|1,0,1]=4 1833 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,1,0,0,0,1|1,0,1]=4 1834 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,0,0,1|2,0,0]=4 1835 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,0,0,1|1,0,0]=3 1836 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,0,0,1|1,0,0]=3 1837 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,0,0,1|1,0,0]=3 1838 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,0,0,1|1,0,0]=3 1839 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,1,0,0,0,1|2,0,0]=4 1840 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,1,0,0,0,1|2,0,0]=4 1841 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,1,0,0,0,1|2,0,0]=4 1842 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,0,0,1|2,0,0]=4 1843 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,1,0,0,0,1|1,0,1]=4 1844 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,0,0,1|1,0,0]=3 1845 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,0,0,1|1,0,0]=3 1846 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,0,0,1|1,0,0]=3 1847 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,0,0,1|1,0,0]=3 1848 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,1,0,0,0,1|2,0,0]=4 1849 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,1,0,0,0,1|2,0,0]=4 1850 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,0,0,1|2,0,0]=4 1851 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,0,0,1|2,0,0]=4 1852 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,0,0,1|2,0,0]=4 1853 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,0,0,1|2,0,0]=4 1854 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,0,0,1|2,0,0]=4 1855 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,0,0,1|2,0,0]=4 1856 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,0,0,1|2,0,0]=4 1857 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,0,0,1|2,0,0]=4 1858 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,0,0,1|2,0,0]=4 1859 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,0,0,1|2,0,0]=4 1860 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,0,0,1|2,0,0]=4 1861 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,0,0,1|2,0,0]=4 1862 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,0,0,1|2,0,0]=4 1863 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,0,0,1|2,0,0]=4 1864 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,0,0,1|2,0,0]=4 1865 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,0,0,1|2,0,0]=4 1866 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,1,0,0,0,1|2,0,0]=4 1867 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,0,0,1|2,0,0]=4 1868 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,0,0,1|2,0,0]=4 1869 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,0,0,1|2,0,0]=4 1870 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,1,0,0,0,1|2,0,0]=4 1871 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,1,0,0,0,1|2,0,0]=4 1872 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,0,0,1|2,0,0]=4 1873 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,0,0,1|2,0,0]=4 1874 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,0,0,1|2,0,0]=4 1875 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,0,0,1|2,0,0]=4 1876 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,0,0,1|2,0,0]=4 1877 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,0,0,1|2,0,0]=4 1878 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,0,0,1|2,0,0]=4 1879 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,0,0,1|2,0,0]=4 1880 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,0,0,1|2,0,0]=4 1881 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,0,0,1|2,0,0]=4 1882 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,0,0,1|2,0,0]=4 1883 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,0,0,1|2,0,0]=4 1884 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,0,0,1|2,0,0]=4 1885 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,0,0,1|2,0,0]=4 1886 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,0,0,1|2,0,0]=4 1887 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,0,0,1|2,0,0]=4 1888 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,0,0,1|2,0,0]=4 1889 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,0,0,1|2,0,0]=4 1890 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,0,0,1|2,0,0]=4 1891 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,0,0,1|2,0,0]=4 1892 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,0,0,1|1,0,0]=3 1893 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,0,0,1|1,0,0]=3 1894 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,0,0,1|2,0,0]=4 1895 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,1,0,0,0,1|2,0,0]=4 1896 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,0,0,1|1,0,0]=3 1897 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,0,0,1|1,0,0]=3 1898 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,1,0,0,0,1|2,0,0]=4 1899 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,1,0,0,0,1|2,0,0]=4 1900 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,1,0,0,0,1|2,0,0]=4 1901 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,1,0,0,0,1|2,0,0]=4 1902 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,0,0,1|1,0,1]=4 1903 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,0,0,1|1,0,1]=4 1904 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 1905 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 1906 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,1,0,0,0,1|2,0,0]=4 1907 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,0,0,1|1,0,1]=4 1908 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,1,0,0,0,1|2,0,0]=4 1909 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,0,0,1|2,0,0]=4 1910 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,0,0,1|2,0,0]=4 1911 B10R1.6 CC(C)(O[13CH3])[C@H]1CCCN1 34a_100020587339_200025704644 [0,2,0,0,0,0|1,0,1]=4 1912 B10R1.6 COC(C)(C)[C@H]1CCCN1 34a_100020587339_200000210301 [0,2,0,0,0,0|1,0,1]=4 1913 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,2,0,0,0,0|2,0,0]=4 1914 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,2,0,0,0,0|2,0,0]=4 1915 B10R1.11 C#CCC(=O)C1CCCS1 1458a_100012002731_100000184674 [0,2,0,0,0,0|2,0,0]=4 1916 B10R1.11 C#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000184674 [0,2,0,0,0,0|2,0,0]=4 1917 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,2,0,0,0,0|2,0,0]=4 1918 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,2,0,0,0,0|2,0,0]=4 1919 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,2,0,0,0,0|2,0,0]=4 1920 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [0,2,0,0,0,0|2,0,0]=4 1921 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,2,0,0,0,0|2,0,0]=4 1922 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,2,0,0,0,0|2,0,0]=4 1923 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,2,0,0,0,0|2,0,0]=4 1924 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,2,0,0,0,0|2,0,0]=4 1925 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,2,0,0,0,0|2,0,0]=4 1926 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,2,0,0,0,0|2,0,0]=4 1927 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,2,0,0,0,0|2,0,0]=4 1928 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,2,0,0,0,0|2,0,0]=4 1929 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,2,0,0,0,0|2,0,0]=4 1930 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,2,0,0,0,0|2,0,0]=4 1931 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,2,0,0,0,0|2,0,0]=4 1932 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,2,0,0,0,0|2,0,0]=4 1933 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,2,0,0,0,0|2,0,0]=4 1934 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,2,0,0,0,0|2,0,0]=4 1935 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,2,0,0,0,0|2,0,0]=4 1936 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,2,0,0,0,0|2,0,0]=4 1937 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,2,0,0,0,0|2,0,0]=4 1938 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,2,0,0,0,0|2,0,0]=4 1939 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,2,0,0,0,0|1,0,0]=3 1940 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,2,0,0,0,0|2,0,0]=4 1941 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,2,0,0,0,0|2,0,0]=4 1942 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,2,0,0,0,0|2,0,0]=4 1943 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,2,0,0,0,0|2,0,0]=4 1944 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,2,0,0,0,0|2,0,0]=4 1945 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,2,0,0,0,0|1,1,0]=4 1946 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,2,0,0,0,0|2,0,0]=4 1947 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,2,0,0,0,0|2,0,0]=4 1948 B10R1.11 N#CCC(=O)C1CCCS1 1458a_100012002731_100011214920 [0,2,0,0,0,0|2,0,0]=4 1949 B10R1.11 N#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011214920 [0,2,0,0,0,0|2,0,0]=4 1950 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,2,0,0,0,0|2,0,0]=4 1951 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,2,0,0,0,0|2,0,0]=4 1952 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,2,0,0,0,0|2,0,0]=4 1953 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,2,0,0,0,0|2,0,0]=4 1954 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,2,0,0,0,0|2,0,0]=4 1955 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,2,0,0,0,0|2,0,0]=4 1956 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,2,0,0,0,0|1,0,1]=4 1957 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,2,0,0,0,0|1,0,0]=3 1958 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,2,0,0,0,0|1,0,0]=3 1959 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,2,0,0,0,0|1,0,0]=3 1960 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,2,0,0,0,0|2,0,0]=4 1961 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,2,0,0,0,0|2,0,0]=4 1962 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,2,0,0,0,0|2,0,0]=4 1963 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,2,0,0,0,0|1,0,0]=3 1964 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,2,0,0,0,0|2,0,0]=4 1965 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,2,0,0,0,0|1,0,1]=4 1966 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,2,0,0,0,0|2,0,0]=4 1967 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,2,0,0,0,0|1,0,1]=4 1968 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,2,0,0,0,0|2,0,0]=4 1969 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,2,0,0,0,0|2,0,0]=4 1970 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,2,0,0,0,0|2,0,0]=4 1971 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,2,0,0,0,0|2,0,0]=4 1972 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,2,0,0,0,0|2,0,0]=4 1973 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,2,0,0,0,0|2,0,0]=4 1974 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,2,0,0,0,0|2,0,0]=4 1975 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,2,0,0,0,0|2,0,0]=4 1976 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,2,0,0,0,0|2,0,0]=4 1977 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,2,0,0,0,0|2,0,0]=4 1978 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,2,0,0,0,0|2,0,0]=4 1979 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,2,0,0,0,0|2,0,0]=4 1980 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,2,0,0,0,0|2,0,0]=4 1981 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,2,0,0,0,0|1,0,1]=4 1982 B10R1.149 C#CC(=O)C1CCCC1=O 1458a_100000211873_100000211823 [0,2,0,0,0,0|2,0,0]=4 1983 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [0,2,0,0,0,0|2,0,0]=4 1984 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,2,0,0,0,0|2,0,0]=4 1985 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,2,0,0,0,0|2,0,0]=4 1986 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,2,0,0,0,0|2,0,0]=4 1987 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,2,0,0,0,0|1,0,0]=3 1988 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,2,0,0,0,0|1,0,0]=3 1989 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,2,0,0,0,0|2,0,0]=4 1990 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,2,0,0,0,0|2,0,0]=4 1991 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,2,0,0,0,0|2,0,0]=4 1992 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,2,0,0,0,0|2,0,0]=4 1993 B10R1.149 CNC(=O)C1CSCN1C 240690a_100102657272_100020666735 [0,2,0,0,0,0|2,0,0]=4 1994 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,2,0,0,0,0|1,0,0]=3 1995 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,2,0,0,0,0|1,0,0]=3 1996 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,2,0,0,0,0|1,0,0]=3 1997 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,2,0,0,0,0|1,0,0]=3 1998 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,2,0,0,0,0|1,0,0]=3 1999 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,2,0,0,0,0|1,0,0]=3 2000 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,2,0,0,0,0|1,0,0]=3 2001 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,2,0,0,0,0|1,0,0]=3 2002 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,2,0,0,0,0|1,0,0]=3 2003 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,2,0,0,0,0|1,0,0]=3 2004 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,2,0,0,0,0|1,0,0]=3 2005 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,2,0,0,0,0|1,0,0]=3 2006 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,2,0,0,0,0|1,0,0]=3 2007 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,2,0,0,0,0|1,0,0]=3 2008 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,2,0,0,0,0|1,0,0]=3 2009 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,2,0,0,0,0|0,0,0]=2 2010 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,2,0,0,0,0|0,0,0]=2 2011 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,2,0,0,0,0|0,0,0]=2 2012 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,2,0,0,0,0|0,0,0]=2 2013 B10R1.149 CO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_200000210301 [0,2,0,0,0,0|1,0,1]=4 2014 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,2,0,0,0,0|2,0,0]=4 2015 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,2,0,0,0,0|2,0,0]=4 2016 B10R1.149 C[C@H](O[13CH3])[C@@H]1CCCN1C 34a_100160487421_200025704644 [0,2,0,0,0,0|1,0,1]=4 2017 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,2,0,0,0,0|2,0,0]=4 2018 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,2,0,0,0,0|2,0,0]=4 2019 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,2,0,0,0,0|1,0,0]=3 2020 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,2,0,0,0,0|2,0,0]=4 2021 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,2,0,0,0,0|2,0,0]=4 2022 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [0,2,0,0,0,0|2,0,0]=4 2023 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,2,0,0,0,0|2,0,0]=4 2024 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,2,0,0,0,0|2,0,0]=4 2025 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,2,0,0,0,0|2,0,0]=4 2026 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,2,0,0,0,0|2,0,0]=4 2027 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,2,0,0,0,0|2,0,0]=4 2028 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,2,0,0,0,0|2,0,0]=4 2029 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,2,0,0,0,0|2,0,0]=4 2030 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,2,0,0,0,0|2,0,0]=4 2031 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,2,0,0,0,0|2,0,0]=4 2032 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,2,0,0,0,0|2,0,0]=4 2033 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,2,0,0,0,0|2,0,0]=4 2034 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,2,0,0,0,0|2,0,0]=4 2035 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,2,0,0,0,0|2,0,0]=4 2036 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,2,0,0,0,0|2,0,0]=4 2037 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 2230a_100020587339_200025704644 [0,2,0,0,0,0|1,0,1]=4 2038 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 269982a_100020587339_200025704644 [0,2,0,0,0,0|1,0,1]=4 2039 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 34a_100020587339_200025704644 [0,2,0,0,0,0|1,0,1]=4 2040 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 2230a_100020587339_200000210301 [0,2,0,0,0,0|1,0,1]=4 2041 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 269982a_100020587339_200000210301 [0,2,0,0,0,0|1,0,1]=4 2042 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 34a_100020587339_200000210301 [0,2,0,0,0,0|1,0,1]=4 2043 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 2044 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 2045 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 2046 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 2047 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,2,0,0,0,0|1,0,0]=3 2048 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [0,2,0,0,0,0|1,0,0]=3 2049 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [0,2,0,0,0,0|1,0,0]=3 2050 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,2,0,0,0,0|1,0,0]=3 2051 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [0,2,0,0,0,0|1,0,0]=3 2052 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [0,2,0,0,0,0|1,0,0]=3 2053 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [0,2,0,0,0,0|1,0,0]=3 2054 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,2,0,0,0,0|0,0,0]=2 2055 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,2,0,0,0,0|0,0,0]=2 2056 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [0,2,0,0,0,0|1,0,0]=3 2057 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [0,2,0,0,0,0|1,0,0]=3 2058 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [0,2,0,0,0,0|1,0,0]=3 2059 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [0,2,0,0,0,0|1,0,0]=3 2060 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [0,2,0,0,0,0|1,0,0]=3 2061 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,2,0,0,0,0|0,0,0]=2 2062 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,2,0,0,0,0|0,0,0]=2 2063 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,2,0,0,0,0|1,0,1]=4 2064 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,2,0,0,0,0|1,0,1]=4 2065 B10R1.359 CC(=O)C1CCC(C1)(F)F 1458a_100000696201_200000210301 [0,2,0,0,0,0|2,0,0]=4 2066 B10R1.359 [13CH3]C(=O)C1CCC(C1)(F)F 1458a_100000696201_200025704644 [0,2,0,0,0,0|2,0,0]=4 2067 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,2,0,0,0,0|0,0,2]=4 2068 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,2,0,0,0,0|1,0,0]=3 2069 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,2,0,0,0,0|1,0,0]=3 2070 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,2,0,0,0,0|1,0,0]=3 2071 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,2,0,0,0,0|0,0,0]=2 2072 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,2,0,0,0,0|1,0,0]=3 2073 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,2,0,0,0,0|1,0,0]=3 2074 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [0,2,0,0,0,0|1,0,0]=3 2075 B10R1.39 O=C(O)[C@@H]1C=CCN1CF 269956a_100000057196_100015361967 [0,2,0,0,0,0|0,0,2]=4 2076 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,2,0,0,0,0|0,0,0]=2 2077 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [0,2,0,0,0,0|1,0,0]=3 2078 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_200000210301 [0,2,0,0,0,0|1,0,1]=4 2079 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[13CH3])C 1458a_100016991750_200025704644 [0,2,0,0,0,0|1,0,1]=4 2080 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,2,0,0,0,0|0,0,0]=2 2081 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,2,0,0,0,0|0,0,0]=2 2082 B10R1.477 CC(=O)C1(CCCC1)C#N 1458a_100000209868_200000210301 [0,2,0,0,0,0|2,0,0]=4 2083 B10R1.477 CNC1(CCCC1)C(=O)N 2230a_100000755618_200000210301 [0,2,0,0,0,0|2,0,0]=4 2084 B10R1.477 CNC1(CCCC1)C(=O)N 34a_100000755618_200000210301 [0,2,0,0,0,0|2,0,0]=4 2085 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,2,0,0,0,0|1,0,0]=3 2086 B10R1.477 [13CH3]C(=O)C1(CCCC1)C#N 1458a_100000209868_200025704644 [0,2,0,0,0,0|2,0,0]=4 2087 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 2230a_100000755618_200025704644 [0,2,0,0,0,0|2,0,0]=4 2088 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 34a_100000755618_200025704644 [0,2,0,0,0,0|2,0,0]=4 2089 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,2,0,0,0,0|1,0,0]=3 2090 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [0,0,1,1,0,0|1,0,1]=4 2091 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [0,0,1,1,0,0|2,0,0]=4 2092 B8R1.34 C=C(F)CN1CCC1 269982a_100000754969_100009893438 [0,0,1,1,0,0|2,0,0]=4 2093 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,1,1,0,0|2,0,0]=4 2094 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,1,1,0,0|2,0,0]=4 2095 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,1,1,0,0|2,0,0]=4 2096 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,0,1,1,0,0|1,0,1]=4 2097 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,0,1,1,0,0|1,0,1]=4 2098 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,1,1,0,0|1,0,0]=3 2099 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,1,1,0,0|0,0,1]=3 2100 B8R1.34 O=[N+]([O-])CN1CCC1 269982a_100000754969_100000761209 [0,0,1,1,0,0|1,0,1]=4 2101 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,1,1,0,0|2,0,0]=4 2102 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [0,0,1,1,0,0|2,0,0]=4 2103 B8R1.35 C=C(F)CNC1CC1 34a_100000212008_100009893438 [0,0,1,1,0,0|2,0,0]=4 2104 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,1,1,0,0|2,0,0]=4 2105 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,1,1,0,0|2,0,0]=4 2106 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,1,1,0,0|2,0,0]=4 2107 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,1,1,0,0|2,0,0]=4 2108 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,1,1,0,0|2,0,0]=4 2109 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,0,1,1,0,0|1,0,1]=4 2110 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,0,1,1,0,0|1,0,1]=4 2111 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,0,1,1,0,0|1,0,1]=4 2112 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,1,1,0,0|1,0,0]=3 2113 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,1,1,0,0|2,0,0]=4 2114 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|0,0,0]=2 2115 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,1,1,0,0|0,0,1]=3 2116 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,1,1,0,0|1,0,1]=4 2117 B8R1.35 O=[N+]([O-])CNC1CC1 34a_100000212008_100000761209 [0,0,1,1,0,0|1,0,1]=4 2118 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,1,1,0,0|2,0,0]=4 2119 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,1,1,0,0|2,0,0]=4 2120 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,1,1,0,0|2,0,0]=4 2121 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,1,1,0,0|2,0,0]=4 2122 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,1,1,0,0|2,0,0]=4 2123 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,1,1,0,0|2,0,0]=4 2124 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,0,1,1,0,0|1,0,1]=4 2125 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,0,1,1,0,0|1,0,1]=4 2126 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,0,1,1,0,0|1,0,1]=4 2127 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,0,1,1,0,0|2,0,0]=4 2128 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,0,1,1,0,0|2,0,0]=4 2129 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,0,1,1,0,0|1,0,0]=3 2130 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,0,1,1,0,0|1,0,0]=3 2131 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,0,1,1,0,0|1,0,0]=3 2132 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,0,1,1,0,0|0,0,0]=2 2133 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,0,1,1,0,0|2,0,0]=4 2134 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,0,1,1,0,0|2,0,0]=4 2135 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,0,1,1,0,0|2,0,0]=4 2136 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,0,1,1,0,0|2,0,0]=4 2137 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,0,1,1,0,0|2,0,0]=4 2138 B8R1.63 CSC1(CC1)C(=O)N 62a_100010760883_200000210301 [0,0,1,1,0,0|2,0,0]=4 2139 B8R1.63 CSC1(CC1)C(=O)N 62a_200000210301_100010760883 [0,0,1,1,0,0|2,0,0]=4 2140 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,0,1,1,0,0|1,0,0]=3 2141 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,0,1,1,0,0|0,0,0]=2 2142 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_100010760883_200025704644 [0,0,1,1,0,0|2,0,0]=4 2143 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_200025704644_100010760883 [0,0,1,1,0,0|2,0,0]=4 2144 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,1,0,1|2,0,0]=4 2145 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,1,0,1|2,0,0]=4 2146 B10R2.2 Oc1cn2c(n1)CCC2 271570a_203496583355_100015205953 [0,0,0,1,0,1|1,0,1]=4 2147 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,0,1,0|2,0,0]=4 2148 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,0,1,0|2,0,0]=4 2149 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,0,1,0|2,0,0]=4 2150 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,0,1,0|2,0,0]=4 2151 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,0,1,0|2,0,0]=4 2152 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,0,1,0|2,0,0]=4 2153 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,0,1,0|2,0,0]=4 2154 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,0,1,0|2,0,0]=4 2155 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,0,1,0|2,0,0]=4 2156 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,0,1,0|2,0,0]=4 2157 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,0,1,0|2,0,0]=4 2158 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,0,2,0|1,0,0]=3 2159 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,0,2,0|2,0,0]=4 2160 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,0,2,0|1,0,0]=3 2161 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,0,2,0|2,0,0]=4 2162 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,0,1,0,0,1|2,0,0]=4 2163 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,0,1,0,0,1|2,0,0]=4 2164 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,0,1,0,0,1|2,0,0]=4 2165 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,0,1,0,0,1|2,0,0]=4 2166 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,0,1,0,0,1|2,0,0]=4 2167 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,0,1,0,0,1|2,0,0]=4 2168 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,0,1,0,0,1|0,0,0]=2 2169 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,0,1,0,0,1|0,0,0]=2 2170 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,0,1,0,0,1|1,0,0]=3 2171 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,0,1,0,0,1|1,0,0]=3 2172 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,0,0,2|2,0,0]=4 2173 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,0,0,2|2,0,0]=4 2174 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,0,0,2|2,0,0]=4 2175 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,0,0,2|2,0,0]=4 2176 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,0,0,2|2,0,0]=4 2177 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,0,0,2|2,0,0]=4 2178 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,0,0,2|2,0,0]=4 2179 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,0,0,2|2,0,0]=4 2180 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,0,0,2|2,0,0]=4 2181 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,0,0,2|2,0,0]=4 2182 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,0,0,2|2,0,0]=4 2183 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,0,0,2|2,0,0]=4 2184 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,0,0,2|2,0,0]=4 2185 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,0,0,2|2,0,0]=4 2186 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,0,0,2|2,0,0]=4 2187 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,0,0,2|2,0,0]=4 2188 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,0,0,0,0,2|2,0,0]=4 2189 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,0,0,0,0,2|2,0,0]=4 2190 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,0,0,0,0,2|2,0,0]=4 2191 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,0,0,0,0,2|2,0,0]=4 2192 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 2193 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 2194 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 2195 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,0,0,2|2,0,0]=4 2196 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,0,0,2|2,0,0]=4 2197 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,0,0,2|2,0,0]=4 2198 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,0,0,2|2,0,0]=4 2199 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,0,0,2|2,0,0]=4 2200 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,0,0,2|2,0,0]=4 2201 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,0,0,2|2,0,0]=4 2202 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,0,0,2|2,0,0]=4 2203 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,0,0,2|2,0,0]=4 2204 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,0,0,2|2,0,0]=4 2205 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,0,0,2|2,0,0]=4 2206 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,0,0,2|2,0,0]=4 2207 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,0,0,2|2,0,0]=4 2208 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,0,0,2|2,0,0]=4 2209 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,0,0,2|2,0,0]=4 2210 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,0,0,2|2,0,0]=4 2211 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,0,0,2|2,0,0]=4 2212 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,0,0,2|2,0,0]=4 2213 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,0,0,2|2,0,0]=4 2214 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,0,0,2|2,0,0]=4 2215 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,0,0,2|2,0,0]=4 2216 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,0,0,2|2,0,0]=4 2217 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,0,0,2|2,0,0]=4 2218 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,0,0,0,0,2|2,0,0]=4 2219 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,0,0,0,0,2|2,0,0]=4 2220 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,0,0,0,0,2|2,0,0]=4 2221 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,0,0,0,0,2|2,0,0]=4 2222 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,0,0,0,0,2|2,0,0]=4 2223 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,0,0,0,0,2|2,0,0]=4 2224 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,0,0,0,0,2|2,0,0]=4 2225 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,0,0,0,0,2|2,0,0]=4 2226 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,0,0,0,0,2|2,0,0]=4 2227 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,0,0,2|1,0,0]=3 2228 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,0,0,0,0,2|2,0,0]=4 2229 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,0,0,0,0,2|1,0,1]=4 2230 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,0,0,0,0,2|1,0,1]=4 2231 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,0,0,0,0,2|1,0,1]=4 2232 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,0,0,0,0,2|1,0,1]=4 2233 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,0,0,0,0,2|1,0,1]=4 2234 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,0,0,2|2,0,0]=4 2235 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,0,0,2|2,0,0]=4 2236 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,0,0,2|2,0,0]=4