0 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,0|2,0,1]=3 48 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,1,0,0,0,0|1,0,1]=3 103 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.15 C#CC(=O)C1C=CCCC1 1458a_100000211873_100000751183 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.15 C=CC(=O)C1C=CCCC1 1458a_100000185746_100000751183 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.15 C=CC(=O)N1CCCOC1 240690a_100000131196_200121576911 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.15 CC(O[13CH3])C1CCCNC1 34a_100000740858_200025704644 [0,1,0,0,0,0|1,0,1]=3 120 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.15 CNC(C)C1CCCNC1 269862a_106832991636_100011320585 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.15 COC(C)C1CCCNC1 34a_100000740858_200000210301 [0,1,0,0,0,0|1,0,1]=3 167 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.15 O=C(CF)C1COCCO1 1458a_100000045528_100015361967 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.15 O=C(CF)[C@H]1CC=CCC1 1458a_100009820709_100015361967 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,0,0,0|1,0,1]=3 175 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.15 O=C(CO)N1CC=CCC1 240690a_100000698166_100000210174 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.15 O=C(CO)N1CC=CCC1 527a_100000698166_100000210174 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,0,0,0|1,0,1]=3 189 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,0,0,0|1,0,1]=3 207 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,1,0,0,0,0|1,0,1]=3 232 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,1,0,0,0,0|1,0,1]=3 233 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,1,0,0,0,0|1,0,1]=3 234 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,1,0,0,0,0|1,0,1]=3 235 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.113 CN(C)C1CCCN(C1)[13CH3] 2230a_100011292519_200025704644 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.113 CN(C)C1CCCN(C1)[13CH3] 269982a_100011292519_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.113 CN1CCCC(C1)N(C)C 2230a_100011292519_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.113 CN1CCCC(C1)N(C)C 269982a_100011292519_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,0,0,0|3,0,0]=4 267 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,1,0,0,0|2,0,1]=4 268 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,1,0,0,0|2,0,1]=4 269 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,1,0,0,0|2,0,1]=4 270 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,0,1,0,0,0|2,0,1]=4 271 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,0,1,0,0,0|1,0,2]=4 272 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,0,1,0,0,0|1,0,2]=4 273 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,0,1,0,0,0|2,0,1]=4 274 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,0,1,0,0,0|3,0,0]=4 275 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,0,1,0,0,0|3,0,0]=4 276 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,0,1,0,0,0|3,0,0]=4 277 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,0,1,0,0,0|3,0,0]=4 278 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,1,0,0,0|3,0,0]=4 279 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,1,0,0,0|3,0,0]=4 280 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,1,0,0,0|3,0,0]=4 281 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,1,0,0,0|3,0,0]=4 282 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,1,0,0,0|2,0,1]=4 283 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,1,0,0,0|2,0,1]=4 284 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,1,0,0,0|2,0,1]=4 285 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,0,1,0,0,0|2,0,1]=4 286 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,0,1,0,0,0|1,0,2]=4 287 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,0,1,0,0,0|1,0,2]=4 288 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,0,1,0,0,0|2,0,1]=4 289 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,1,0,0,0|3,0,0]=4 290 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,1,0,0,0|3,0,0]=4 291 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,1,0,0,0|3,0,0]=4 292 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,1,0,0,0|3,0,0]=4 293 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,1,0,0,0|2,0,0]=3 294 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,1,0,0,0|2,0,0]=3 295 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,1,0,0,0|3,0,0]=4 296 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,1,0,0,0|3,0,0]=4 297 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,1,0,0,0|3,0,0]=4 298 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,1,0,0,0|3,0,0]=4 299 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,1,0,0,0|3,0,0]=4 300 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,1,0,0,0|3,0,0]=4 301 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,1,0,0,0|3,0,0]=4 302 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,1,0,0,0|3,0,0]=4 303 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,1,0,0,0|3,0,0]=4 304 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,1,0,0,0|3,0,0]=4 305 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,1,0,0,0|2,0,0]=3 306 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,1,0,0,0|3,0,0]=4 307 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,1,0,0,0|3,0,0]=4 308 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,1,0,0,0|3,0,0]=4 309 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,0,1,0,0,0|3,0,0]=4 310 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,0,1,0,0,0|3,0,0]=4 311 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,1,0,0,0|3,0,0]=4 312 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,1,0,0,0|3,0,0]=4 313 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,0,1,0,0,0|2,0,1]=4 314 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,0,1,0,0,0|2,0,1]=4 315 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,0,1,0,0,0|2,0,1]=4 316 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,0,1,0,0,0|2,0,1]=4 317 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,0,1,0,0,0|2,0,1]=4 318 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,1,0,0,0|2,0,1]=4 319 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,1,0,0,0|2,0,1]=4 320 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,1,0,0,0|2,0,1]=4 321 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,1,0,0,0|2,0,0]=3 322 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,1,0,0,0|2,0,0]=3 323 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,1,0,0,0|2,0,0]=3 324 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,1,0,0,0|3,0,0]=4 325 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,1,0,0,0|3,0,0]=4 326 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,1,0,0,0|3,0,0]=4 327 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,1,0,0,0|3,0,0]=4 328 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,1,0,0,0|3,0,0]=4 329 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,1,0,0,0|3,0,0]=4 330 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,1,0,0,0|3,0,0]=4 331 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,1,0,0,0|2,0,0]=3 332 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,1,0,0,0|3,0,0]=4 333 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,1,0,0,0|3,0,0]=4 334 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,1,0,0,0|3,0,0]=4 335 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,1,0,0,0|3,0,0]=4 336 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,1,0,0,0|3,0,0]=4 337 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,1,0,0,0|3,0,0]=4 338 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,1,0,0,0|2,0,1]=4 339 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,1,0,0,0|3,0,0]=4 340 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,1,0,0,0|3,0,0]=4 341 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,1,0,0,0|3,0,0]=4 342 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,1,0,0,0|3,0,0]=4 343 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,1,0,0,0|2,0,1]=4 344 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,1,0,0,0|2,0,1]=4 345 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,0,1,0,0,0|2,0,1]=4 346 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,0,1,0,0,0|2,0,1]=4 347 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,0,1,0,0,0|1,0,1]=3 348 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,1,0,0,0|1,0,0]=2 349 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,1,0,0,0|2,0,0]=3 350 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,1,0,0,0|2,0,0]=3 351 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,1,0,0,0|2,0,0]=3 352 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,1,0,0,0|2,0,0]=3 353 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,1,0,0,0|2,0,0]=3 354 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,1,0,0,0|2,0,0]=3 355 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,0,1,0,0,0|2,0,1]=4 356 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,1,0,0,0|3,0,0]=4 357 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,1,0,0,0|2,0,0]=3 358 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,1,0,0,0|2,0,0]=3 359 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,1,0,0,0|2,0,0]=3 360 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,1,0,0,0|2,0,0]=3 361 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,0,1,0,0,0|2,0,1]=4 362 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,0,1,0,0,0|2,0,1]=4 363 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,1,0,0,0|3,0,0]=4 364 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,1,0,0,0|3,0,0]=4 365 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,1,0,0,0|3,0,0]=4 366 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,1,0,0,0|3,0,0]=4 367 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,1,0,0,0|3,0,0]=4 368 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,1,0,0,0|3,0,0]=4 369 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,1,0,0,0|3,0,0]=4 370 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,1,0,0,0|3,0,0]=4 371 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,0,1,0,0,0|3,0,0]=4 372 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,1,0,0,0|3,0,0]=4 373 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,1,0,0,0|3,0,0]=4 374 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,1,0,0,0|3,0,0]=4 375 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,1,0,0,0|3,0,0]=4 376 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,0,1,0,0,0|1,0,1]=3 377 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,0,1,0,0,0|1,0,1]=3 378 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,0,1,0,0,0|1,0,1]=3 379 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,1,0,0,0|1,0,0]=2 380 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,1,0,0,0|1,0,0]=2 381 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,1,0,0,0|1,0,0]=2 382 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,0,1,0,0,0|2,0,1]=4 383 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,0,1,0,0,0|2,0,1]=4 384 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,0,1,0,0,0|2,0,1]=4 385 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,1,0,0,0|2,0,0]=3 386 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,1,0,0,0|2,0,0]=3 387 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,1,0,0,0|2,0,0]=3 388 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,0,1,0,0,0|2,1,0]=4 389 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,0,1,0,0,0|2,1,0]=4 390 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,0,1,0,0,0|2,1,0]=4 391 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,1,0,0,0|2,0,0]=3 392 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,1,0,0,0|2,0,0]=3 393 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,1,0,0,0|2,0,0]=3 394 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,1,0,0,0|2,0,0]=3 395 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,1,0,0,0|2,0,0]=3 396 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,1,0,0,0|2,0,0]=3 397 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,1,0,0,0|1,0,0]=2 398 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,0,1,0,0,0|2,0,1]=4 399 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,1,0,0,0|2,0,0]=3 400 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,1,0,0,0|2,0,0]=3 401 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,1,0,0,0|2,0,0]=3 402 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,1,0,0,0|2,0,0]=3 403 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,0,1,0,0,0|2,0,1]=4 404 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,0,1,0,0,0|2,0,1]=4 405 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,1,0,0,0|3,0,0]=4 406 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,1,0,0,0|3,0,0]=4 407 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,1,0,0,0|3,0,0]=4 408 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,1,0,0,0|3,0,0]=4 409 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,1,0,0,0|3,0,0]=4 410 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,1,0,0,0|3,0,0]=4 411 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,0,1,0,0,0|3,0,0]=4 412 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,0,1,0,0,0|3,0,0]=4 413 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,1,0,0,0|2,0,0]=3 414 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,1,0,0,0|3,0,0]=4 415 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,1,0,0,0|3,0,0]=4 416 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,0,1,0,0,0|3,0,0]=4 417 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,0,1,0,0,0|3,0,0]=4 418 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,1,0,0,0|3,0,0]=4 419 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,0,1,0,0,0|2,0,1]=4 420 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,0,1,0,0,0|3,0,0]=4 421 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,0,1,0,0,0|3,0,0]=4 422 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,0,1,0,0,0|2,0,1]=4 423 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,0,1,0,0,0|2,0,1]=4 424 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,0,1,0,0,0|2,0,1]=4 425 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,0,1,0,0,0|2,0,0]=3 426 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,1,0,0,0|3,0,0]=4 427 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,1,0,0,0|3,0,0]=4 428 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,0,1,0,0,0|3,0,0]=4 429 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,0,1,0,0,0|3,0,0]=4 430 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,0,1,0,0,0|2,0,1]=4 431 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,0,1,0,0,0|2,0,1]=4 432 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,1,0,0,0|2,0,0]=3 433 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,1,0,0,0|2,0,0]=3 434 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 435 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 436 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 437 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,1,0,0,0|3,0,0]=4 438 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,1,0,0,0|3,0,0]=4 439 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,1,0,0,0|3,0,0]=4 440 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,1,0,0,0|3,0,0]=4 441 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,1,0,0,0|3,0,0]=4 442 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,0,1,0,0,0|3,0,0]=4 443 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,0,1,0,0,0|3,0,0]=4 444 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,1,0,0,0|2,0,0]=3 445 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,1,0,0,0|3,0,0]=4 446 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,0,1,0,0,0|3,0,0]=4 447 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,0,1,0,0,0|3,0,0]=4 448 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,0,1,0,0,0|3,0,0]=4 449 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,0,1,0,0,0|3,0,0]=4 450 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,0,1,0,0,0|2,0,1]=4 451 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,0,1,0,0,0|3,0,0]=4 452 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,0,1,0,0,0|3,0,0]=4 453 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,0,1,0,0,0|2,0,1]=4 454 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,0,1,0,0,0|2,0,1]=4 455 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,0,1,0,0,0|2,0,1]=4 456 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,0,1,0,0,0|2,0,0]=3 457 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,1,0,0,0|3,0,0]=4 458 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,0,1,0,0,0|3,0,0]=4 459 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,1,0,0,0|3,0,0]=4 460 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,1,0,0,0|3,0,0]=4 461 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,0,1,0,0,0|3,0,0]=4 462 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,0,1,0,0,0|3,0,0]=4 463 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,0,1,0,0,0|3,0,0]=4 464 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,0,1,0,0,0|2,0,1]=4 465 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,0,1,0,0,0|2,0,0]=3 466 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,0,1,0,0,0|2,0,0]=3 467 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,0,1,0,0,0|2,0,0]=3 468 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,0,1,0,0,0|3,0,0]=4 469 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,0,1,0,0,0|3,0,0]=4 470 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,0,1,0,0,0|3,0,0]=4 471 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,0,1,0,0,0|3,0,0]=4 472 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,0,1,0,0,0|3,0,0]=4 473 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,0,1,0,0,0|3,0,0]=4 474 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,0,1,0,0,0|3,0,0]=4 475 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,0,1,0,0,0|3,0,0]=4 476 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,0,1,0,0,0|3,0,0]=4 477 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,0,1,0,0,0|3,0,0]=4 478 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,1,0,0,0|3,0,0]=4 479 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,1,0,0,0|3,0,0]=4 480 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,0,1,0,0,0|2,0,0]=3 481 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,0,1,0,0,0|2,0,0]=3 482 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,0,1,0,0,0|2,0,1]=4 483 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,1,0,0,0|3,0,0]=4 484 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,1,0,0,0|3,0,0]=4 485 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,1,0,0,0|1,0,0]=2 486 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,1,0,0,0|1,0,0]=2 487 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,1,0,0,0|2,0,0]=3 488 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,1,0,0,0|2,0,0]=3 489 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,0,1,0,0,0|2,0,1]=4 490 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,0,1,0,0,0|2,0,1]=4 491 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,0,1,0,0,0|2,0,1]=4 492 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,0,1,0,0,0|2,0,1]=4 493 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,0,1,0,0,0|3,0,0]=4 494 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,0,1,0,0,0|3,0,0]=4 495 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,0,1,0,0,0|2,0,1]=4 496 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,0,1,0,0,0|2,0,1]=4 497 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,0,1,0,0,0|3,0,0]=4 498 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,0,1,0,0,0|3,0,0]=4 499 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,1,0,0,0|3,0,0]=4 500 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,0,1,0,0,0|3,0,0]=4 501 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,1,0,0,0|3,0,0]=4 502 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,0,1,0,0,0|3,0,0]=4 503 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,0,1,0,0,0|3,0,0]=4 504 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,1,0,0,0|3,0,0]=4 505 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,1,0,0,0|3,0,0]=4 506 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,1,0,0,0|3,0,0]=4 507 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,1,0,0,0|3,0,0]=4 508 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,1,0,0,0|1,0,0]=2 509 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,0,1,0,0,0|3,0,0]=4 510 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,0,1,0,0,0|3,0,0]=4 511 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,0,1,0,0,0|3,0,0]=4 512 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,0,1,0,0,0|3,0,0]=4 513 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,0,1,0,0,0|2,0,0]=3 514 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,0,1,0,0,0|3,0,0]=4 515 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,0,1,0,0,0|3,0,0]=4 516 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,0,1,0,0,0|3,0,0]=4 517 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,0,1,0,0,0|3,0,0]=4 518 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,1,0,0,0|2,0,0]=3 519 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,1,0,0,0|2,0,0]=3 520 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,1,0,0,0|2,0,0]=3 521 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,1,0,0,0|3,0,0]=4 522 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,1,0,0,0|3,0,0]=4 523 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 524 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 525 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 526 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,1,0,0,0|3,0,0]=4 527 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,1,0,0,0|2,0,0]=3 528 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,1,0,0,0|3,0,0]=4 529 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,1,0,0,0|3,0,0]=4 530 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,1,0,0,0|3,0,0]=4 531 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,1,0,0,0|3,0,0]=4 532 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,1,0,0,0|2,0,1]=4 533 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,1,0,0,0|3,0,0]=4 534 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,1,0,0,0|3,0,0]=4 535 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,1,0,0,0|3,0,0]=4 536 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,1,0,0,0|3,0,0]=4 537 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,1,0,0,0|3,0,0]=4 538 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,1,0,0,0|3,0,0]=4 539 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,1,0,0,0|0,0,0]=1 540 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,1,0,0,0|1,0,0]=2 541 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,1,0,0,0|2,0,0]=3 542 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,1,0,0,0|2,0,0]=3 543 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,0,1,0,0,0|2,0,1]=4 544 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,0,1,0,0,0|2,0,1]=4 545 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,0,1,0,0,0|3,0,0]=4 546 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,0,1,0,0,0|3,0,0]=4 547 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,0,1,0,0,0|3,0,0]=4 548 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,0,1,0,0,0|3,0,0]=4 549 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,0,1,0,0,0|3,0,0]=4 550 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,0,1,0,0,0|3,0,0]=4 551 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,0,1,0,0,0|3,0,0]=4 552 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,0,1,0,0,0|3,0,0]=4 553 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,0,1,0,0,0|3,0,0]=4 554 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,0,1,0,0,0|3,0,0]=4 555 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,0,1,0,0,0|3,0,0]=4 556 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,0,1,0,0,0|1,0,2]=4 557 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,0,1,0,0,0|2,0,1]=4 558 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,1,0,0,0|2,0,0]=3 559 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,1,0,0,0|2,0,0]=3 560 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,0,1,0,0,0|2,0,1]=4 561 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,0,1,0,0,0|2,0,1]=4 562 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,0,1,0,0,0|3,0,0]=4 563 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,0,1,0,0,0|2,0,1]=4 564 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,1,0,0,0|2,0,0]=3 565 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,0,1,0,0,0|2,0,1]=4 566 B8R0.15 CCC(CNC)C(C)C 269862a_106832991636_100011214906 [0,0,1,0,0,0|2,0,1]=4 567 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,0,1,0,0,0|2,0,0]=3 568 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,0,1,0,0,0|2,0,0]=3 569 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,0,1,0,0,0|2,0,0]=3 570 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,0,1,0,0,0|3,0,0]=4 571 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,0,1,0,0,0|3,0,0]=4 572 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,0,1,0,0,0|3,0,0]=4 573 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,0,1,0,0,0|3,0,0]=4 574 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,0,1,0,0,0|3,0,0]=4 575 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,0,1,0,0,0|3,0,0]=4 576 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,0,1,0,0,0|3,0,0]=4 577 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,0,1,0,0,0|3,0,0]=4 578 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,0,1,0,0,0|3,0,0]=4 579 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,0,1,0,0,0|3,0,0]=4 580 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,0,1,0,0,0|2,0,0]=3 581 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,0,1,0,0,0|3,0,0]=4 582 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,0,1,0,0,0|3,0,0]=4 583 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,0,1,0,0,0|2,0,0]=3 584 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,0,1,0,0,0|3,0,0]=4 585 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,0,1,0,0,0|3,0,0]=4 586 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,0,1,0,0,0|3,0,0]=4 587 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,0,1,0,0,0|2,0,0]=3 588 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,0,1,0,0,0|3,0,0]=4 589 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,0,1,0,0,0|3,0,0]=4 590 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,0,1,0,0,0|2,0,0]=3 591 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,0,1,0,0,0|3,0,0]=4 592 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,0,1,0,0,0|3,0,0]=4 593 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,0,1,0,0,0|3,0,0]=4 594 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,0,1,0,0,0|3,0,0]=4 595 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,0,1,0,0,0|2,0,0]=3 596 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,0,1,0,0,0|2,0,0]=3 597 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,0,1,0,0,0|2,0,0]=3 598 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,0,1,0,0,0|2,0,0]=3 599 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,0,1,0,0,0|2,0,0]=3 600 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,0,1,0,0,0|2,0,0]=3 601 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,0,1,0,0,0|3,0,0]=4 602 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,1,0,0|3,0,0]=4 603 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,1,0,0|3,0,0]=4 604 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,1,0,0|3,0,0]=4 605 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,1,0,0|3,0,0]=4 606 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,1,0,0|3,0,0]=4 607 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,1,0,0|3,0,0]=4 608 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,1,0|1,0,2]=4 609 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,1,0|1,0,2]=4 610 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,0,1,0|1,0,0]=2 611 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,0,1,0|1,0,0]=2 612 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,1,0|2,0,0]=3 613 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,0,1,0|2,0,0]=3 614 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,0,1,0|2,0,0]=3 615 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,0,1,0|2,0,0]=3 616 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,0,1,0|2,0,0]=3 617 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,0,1,0|3,0,0]=4 618 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,0,1,0|3,0,0]=4 619 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,0,1,0|3,0,0]=4 620 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,0,1,0|2,0,0]=3 621 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,0,0,0,1,0|3,0,0]=4 622 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,0,0,0,1,0|3,0,0]=4 623 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,0,0,0,1,0|3,0,0]=4 624 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,0,0,0,1,0|3,0,0]=4 625 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,0,0,0,1,0|3,0,0]=4 626 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,0,0,0,1,0|3,0,0]=4 627 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,0,0,0,1,0|3,0,0]=4 628 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,0,0,0,1,0|3,0,0]=4 629 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,0,0,0,1,0|3,0,0]=4 630 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,1,0|1,0,2]=4 631 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,1,0|1,0,2]=4 632 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,0,1,0|1,0,0]=2 633 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,1,0|2,0,0]=3 634 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,0,1,0|2,0,0]=3 635 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,0,1,0|2,0,0]=3 636 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,0,0,1|2,0,1]=4 637 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,0,0,1|2,0,0]=3 638 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,0,0,1|2,0,0]=3 639 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,0,0,1|3,0,0]=4 640 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,0,0,1|3,0,0]=4 641 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,0,0,1|2,0,0]=3 642 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,0,0,1|2,0,0]=3 643 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,0,0,1|3,0,0]=4 644 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,0,0,1|3,0,0]=4 645 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,0,0,1|3,0,0]=4 646 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,0,0,1|2,0,0]=3 647 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,0,0,1|2,0,0]=3 648 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,0,0,1|2,0,0]=3 649 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,0,0,1|2,0,0]=3 650 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,0,0,1|2,0,0]=3 651 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,0,0,1|2,0,0]=3 652 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,0,0,1|2,0,0]=3 653 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,0,0,1|2,0,0]=3 654 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,0,0,0,0,1|3,0,0]=4 655 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,0,0,0,0,1|3,0,0]=4 656 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,0,0,0,0,1|3,0,0]=4 657 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,0,0,0,0,1|3,0,0]=4 658 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,0,0,1|3,0,0]=4 659 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,0,0,1|3,0,0]=4 660 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,0,0,1|3,0,0]=4 661 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,0,0,1|3,0,0]=4 662 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,0,0,0,0,1|3,0,0]=4 663 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,0,0,0,0,1|3,0,0]=4 664 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,0,0,0,0,1|3,0,0]=4 665 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,0,0,0,0,1|2,0,1]=4 666 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,0,0,0,0,1|2,0,1]=4 667 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,0,0,1|2,0,1]=4 668 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,0,0,1|2,0,0]=3 669 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,0,0,1|3,0,0]=4 670 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,0,0,1|2,0,0]=3 671 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,0,0,1|3,0,0]=4 672 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,0,0,1|3,0,0]=4 673 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,0,0,1|2,0,1]=4 674 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,0,0,1|2,0,0]=3 675 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,0,0,1|2,0,0]=3 676 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,0,0,1|3,0,0]=4 677 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,0,0,1|3,0,0]=4 678 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,0,0,1|3,0,0]=4 679 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,0,0,1|3,0,0]=4 680 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,0,0,1|3,0,0]=4 681 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,0,0,1|3,0,0]=4 682 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,0,0,1|3,0,0]=4 683 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,0,0,1|3,0,0]=4 684 B10R1.348 CN(C)C1CCCNCC1 270004a_100102631434_100015187895 [0,0,0,0,0,1|3,0,0]=4 685 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,0,0,1|2,0,1]=4 686 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,0,0,1|2,0,0]=3 687 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,1,0,0,0|1,0,1]=4 688 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,1,0,0,0|1,0,1]=4 689 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,1,0,0,0|1,0,1]=4 690 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,1,0,0,0|1,0,1]=4 691 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,1,0,0,0|1,0,1]=4 692 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,1,0,0,0|1,0,1]=4 693 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,1,0,0,0|1,0,1]=4 694 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,1,0,0,0|1,0,1]=4 695 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,1,0,0,0|1,0,0]=3 696 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,1,0,0,0|1,0,0]=3 697 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,1,0,0,0|1,0,0]=3 698 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,1,0,0,0|1,0,0]=3 699 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,1,0,0,0|1,0,0]=3 700 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,1,0,0,0|1,0,0]=3 701 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,1,0,0,0|1,0,0]=3 702 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 703 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,1,0,0,0|2,0,0]=4 704 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 705 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 706 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 707 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,1,0,0,0|2,0,0]=4 708 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,1,0,0,0|2,0,0]=4 709 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,1,0,0,0|2,0,0]=4 710 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,1,0,0,0|2,0,0]=4 711 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,1,0,0,0|1,0,0]=3 712 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,1,0,0,0|2,0,0]=4 713 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,1,0,0,0|2,0,0]=4 714 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,1,0,0,0|2,0,0]=4 715 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,1,0,0,0|2,0,0]=4 716 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,1,0,0,0|2,0,0]=4 717 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,1,0,0,0|2,0,0]=4 718 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,1,0,0,0|2,0,0]=4 719 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,1,0,0,0|2,0,0]=4 720 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,1,0,0,0|2,0,0]=4 721 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,1,0,0,0|2,0,0]=4 722 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,1,0,0,0|2,0,0]=4 723 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,1,0,0,0|2,0,0]=4 724 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,1,0,0,0|2,0,0]=4 725 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,1,0,0,0|2,0,0]=4 726 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,1,0,0,0|2,0,0]=4 727 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,1,0,0,0|1,0,1]=4 728 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,1,0,0,0|1,0,1]=4 729 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,1,0,0,0|1,0,1]=4 730 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,1,0,0,0|1,0,1]=4 731 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,1,0,0,0|1,0,1]=4 732 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,1,0,0,0|2,0,0]=4 733 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,1,0,0,0|2,0,0]=4 734 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,1,0,0,0|1,0,1]=4 735 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,1,0,0,0|1,0,1]=4 736 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,1,0,0,0|2,0,0]=4 737 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,1,0,0,0|2,0,0]=4 738 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,1,0,0,0|2,0,0]=4 739 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,1,0,0,0|2,0,0]=4 740 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,1,0,0,0|1,0,1]=4 741 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,1,0,0,0|1,0,1]=4 742 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,1,0,0,0|2,0,0]=4 743 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,1,0,0,0|2,0,0]=4 744 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,1,0,0,0|1,0,1]=4 745 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,1,0,0,0|1,0,1]=4 746 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,1,0,0,0|1,0,1]=4 747 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,1,0,0,0|2,0,0]=4 748 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,1,0,0,0|2,0,0]=4 749 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,1,0,0,0|2,0,0]=4 750 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,1,0,0,0|1,0,1]=4 751 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,1,0,0,0|1,0,1]=4 752 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,1,0,0,0|0,0,0]=2 753 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,1,0,0,0|0,0,0]=2 754 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,1,0,0,0|1,0,1]=4 755 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,1,0,0,0|1,0,1]=4 756 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,1,0,0,0|1,0,1]=4 757 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,1,0,0,0|0,0,1]=3 758 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,1,0,0,0|0,0,1]=3 759 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,1,0,0,0|0,0,1]=3 760 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,1,0,0,0|0,0,1]=3 761 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,1,0,0,0|0,0,1]=3 762 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,1,0,0,0|2,0,0]=4 763 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,1,0,0,0|2,0,0]=4 764 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,1,0,0,0|2,0,0]=4 765 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,1,0,0,0|1,0,1]=4 766 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,1,0,0,0|1,0,1]=4 767 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,1,0,0,0|1,0,1]=4 768 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,1,0,0,0|1,0,1]=4 769 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,1,0,0,0|1,0,1]=4 770 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,1,0,0,0|1,0,1]=4 771 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,1,0,0,0|1,0,1]=4 772 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,1,0,0,0|2,0,0]=4 773 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,1,0,0,0|2,0,0]=4 774 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,1,0,0,0|2,0,0]=4 775 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,1,0,0,0|2,0,0]=4 776 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,1,0,0,0|1,0,0]=3 777 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,1,0,0,0|1,0,0]=3 778 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,1,0,0,0|1,0,1]=4 779 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,1,0,0,0|1,0,1]=4 780 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,1,0,0,0|2,0,0]=4 781 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,1,0,0,0|2,0,0]=4 782 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,1,0,0,0|2,0,0]=4 783 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,1,0,0,0|2,0,0]=4 784 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,1,0,0,0|2,0,0]=4 785 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,1,0,0,0|1,0,1]=4 786 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,1,0,0,0|1,0,1]=4 787 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,1,0,0,0|1,0,1]=4 788 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,1,0,0,0|0,0,1]=3 789 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,1,0,0,0|0,0,1]=3 790 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,1,0,0,0|1,0,1]=4 791 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,1,0,0,0|1,0,1]=4 792 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,1,0,0,0|1,0,1]=4 793 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,1,0,0,0|1,0,0]=3 794 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,1,0,0,0|1,0,0]=3 795 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,1,0,0,0|1,0,1]=4 796 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,1,0,0,0|1,0,1]=4 797 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,1,0,0,0|0,0,2]=4 798 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,1,0,0,0|2,0,0]=4 799 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,1,0,0,0|0,0,2]=4 800 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,1,0,0,0|2,0,0]=4 801 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|2,0,0]=4 802 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|2,0,0]=4 803 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 804 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 805 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,1,0,0,0|2,0,0]=4 806 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,1,0,0,0|2,0,0]=4 807 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,1,0,0,0|2,0,0]=4 808 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|1,0,0]=3 809 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|1,0,0]=3 810 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|1,0,0]=3 811 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 812 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 813 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 814 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,1,0,0,0|2,0,0]=4 815 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,1,0,0,0|1,0,0]=3 816 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|0,0,0]=2 817 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,1,0,0,0|1,0,1]=4 818 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,1,0,0,0|1,0,1]=4 819 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,1,0,0,0|2,0,0]=4 820 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,1,0,0,0|2,0,0]=4 821 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,1,0,0,0|2,0,0]=4 822 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,1,0,0,0|2,0,0]=4 823 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,1,0,0,0|2,0,0]=4 824 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,1,0,0,0|1,0,1]=4 825 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|2,0,0]=4 826 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,1,0,0,0|2,0,0]=4 827 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,1,0,0,0|2,0,0]=4 828 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|2,0,0]=4 829 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,1,0,0,0|1,0,1]=4 830 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,1,0,0,0|1,0,1]=4 831 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,1,0,0,0|1,0,0]=3 832 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,1,0,0,0|1,0,1]=4 833 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,1,0,0,0|1,0,1]=4 834 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,1,0,0,0|1,0,0]=3 835 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,1,0,0,0|2,0,0]=4 836 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,1,0,0,0|2,0,0]=4 837 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 838 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 839 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 840 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,1,0,0,0|2,0,0]=4 841 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 842 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,1,0,0,0|2,0,0]=4 843 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,1,0,0,0|2,0,0]=4 844 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,1,0,0,0|2,0,0]=4 845 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,1,0,0,0|2,0,0]=4 846 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,1,0,0,0|2,0,0]=4 847 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,1,0,0,0|2,0,0]=4 848 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,1,0,0,0|2,0,0]=4 849 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,1,0,0,0|2,0,0]=4 850 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,1,0,0,0|1,0,0]=3 851 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,1,0,0,0|1,0,0]=3 852 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,1,0,0,0|1,0,0]=3 853 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,1,0,0,0|1,0,0]=3 854 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,1,0,0,0|1,0,0]=3 855 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,1,0,0,0|1,0,1]=4 856 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,1,0,0,0|1,0,1]=4 857 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,1,0,0,0|1,0,1]=4 858 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,1,0,0,0|2,0,0]=4 859 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,1,0,0,0|2,0,0]=4 860 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,1,0,0,0|2,0,0]=4 861 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,1,0,0,0|2,0,0]=4 862 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,1,0,0,0|2,0,0]=4 863 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,1,0,0,0|2,0,0]=4 864 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,1,0,0,0|2,0,0]=4 865 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,1,0,0,0|2,0,0]=4 866 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,1,0,0,0|2,0,0]=4 867 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,1,0,0,0|2,0,0]=4 868 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,1,0,0,0|2,0,0]=4 869 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,1,0,0,0|2,0,0]=4 870 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,1,0,0,0|2,0,0]=4 871 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 872 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,1,0,0,0|2,0,0]=4 873 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 874 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,1,0,0,0|2,0,0]=4 875 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,1,0,0,0|2,0,0]=4 876 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,1,0,0,0|2,0,0]=4 877 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,1,0,0,0|1,0,0]=3 878 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,1,0,0,0|2,0,0]=4 879 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,1,0,0,0|2,0,0]=4 880 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,1,0,0,0|2,0,0]=4 881 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,1,0,0,0|2,0,0]=4 882 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,1,0,0,0|2,0,0]=4 883 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,1,0,0,0|2,0,0]=4 884 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,1,0,0,0|2,0,0]=4 885 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,1,0,0,0|2,0,0]=4 886 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,1,0,0,0|1,0,0]=3 887 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,1,0,0,0|1,0,1]=4 888 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,1,0,0,0|2,0,0]=4 889 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,1,0,0,0|2,0,0]=4 890 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,1,0,0,0|2,0,0]=4 891 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,1,0,0,0|2,0,0]=4 892 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,1,0,0,0|2,0,0]=4 893 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,1,0,0,0|2,0,0]=4 894 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,1,0,0,0|1,0,1]=4 895 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,1,0,0,0|1,0,0]=3 896 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|1,0,0]=3 897 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,1,0,0,0|2,0,0]=4 898 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,1,0,0,0|1,0,1]=4 899 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,1,0,0,0|1,0,1]=4 900 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,1,0,0,0|1,0,1]=4 901 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|2,0,0]=4 902 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,1,0,0,0|1,0,0]=3 903 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,1,0,0,0|2,0,0]=4 904 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,1,0,0,0|2,0,0]=4 905 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,1,0,0,0|2,0,0]=4 906 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,1,0,0,0|2,0,0]=4 907 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,1,0,0,0|2,0,0]=4 908 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,1,0,0,0|2,0,0]=4 909 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [1,0,1,0,0,0|1,0,1]=4 910 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,0,1,0,0,0|1,0,1]=4 911 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,0,1,0,0,0|1,0,1]=4 912 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,0,1,0,0,0|1,0,1]=4 913 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,0,1,0,0,0|1,0,1]=4 914 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,1,0,0,0|0,0,1]=3 915 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,0,1,0,0,0|1,0,1]=4 916 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,0,1,0,0,0|1,0,1]=4 917 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,1,0,0,0|0,0,1]=3 918 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,0,1,0,0,0|2,0,0]=4 919 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,0,1,0,0,0|1,0,1]=4 920 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,0,1,0,0,0|1,0,1]=4 921 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,0,1,0,0,0|1,0,1]=4 922 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,1,0,0,0|1,0,1]=4 923 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,1,0,0,0|1,0,1]=4 924 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,1,0,0,0|1,0,1]=4 925 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [1,0,1,0,0,0|2,0,0]=4 926 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,1,0,0,0|2,0,0]=4 927 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 928 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 929 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,1,0,0,0|0,0,0]=2 930 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,1,0,0,0|1,0,0]=3 931 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,1,0,0,0|1,0,0]=3 932 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,1,0,0,0|1,0,0]=3 933 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 934 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 935 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 936 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,1,0,0,0|2,0,0]=4 937 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,1,0,0,0|2,0,0]=4 938 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,1,0,0,0|2,0,0]=4 939 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,1,0,0,0|1,0,0]=3 940 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,1,0,0,0|1,0,0]=3 941 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,0,1,0,0,0|2,0,0]=4 942 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,1,0,0,0|0,0,0]=2 943 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,1,0,0,0|1,0,0]=3 944 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,1,0,0,0|1,0,0]=3 945 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,1,0,0,0|2,0,0]=4 946 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,1,0,0,0|2,0,0]=4 947 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,1,0,0,0|2,0,0]=4 948 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,1,0,0,0|2,0,0]=4 949 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,1,0,0,0|1,0,1]=4 950 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,1,0,0,0|2,0,0]=4 951 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,1,0,0,0|2,0,0]=4 952 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,1,0,0,0|2,0,0]=4 953 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,1,0,0,0|2,0,0]=4 954 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,1,0,0,0|2,0,0]=4 955 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,1,0,0,0|2,0,0]=4 956 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,1,0,0,0|2,0,0]=4 957 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,1,0,0,0|2,0,0]=4 958 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,1,0,0,0|0,0,0]=2 959 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,1,0,0,0|1,0,0]=3 960 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,1,0,0,0|2,0,0]=4 961 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,1,0,0,0|2,0,0]=4 962 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 963 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 964 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,1,0,0,0|2,0,0]=4 965 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,1,0,0,0|2,0,0]=4 966 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,1,0,0,0|2,0,0]=4 967 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,1,0,0,0|2,0,0]=4 968 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [1,0,1,0,0,0|2,0,0]=4 969 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,1,0,0,0|1,0,0]=3 970 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,1,0,0,0|1,0,0]=3 971 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,1,0,0,0|2,0,0]=4 972 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [1,0,1,0,0,0|1,0,1]=4 973 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [1,0,1,0,0,0|1,0,1]=4 974 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [1,0,1,0,0,0|1,0,1]=4 975 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [1,0,1,0,0,0|1,0,1]=4 976 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [1,0,1,0,0,0|1,0,1]=4 977 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [1,0,1,0,0,0|1,0,1]=4 978 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [1,0,1,0,0,0|1,0,1]=4 979 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,0,1,0,0,0|0,0,2]=4 980 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,0,1,0,0,0|0,0,2]=4 981 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,1,0,0,0|1,0,0]=3 982 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,1,0,0,0|1,0,0]=3 983 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,1,0,0,0|1,0,0]=3 984 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,0,1,0,0,0|1,0,0]=3 985 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,0,1,0,0,0|1,0,0]=3 986 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,0,1,0,0,0|1,0,0]=3 987 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,0,1,0,0,0|1,0,0]=3 988 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,0,1,0,0,0|1,0,0]=3 989 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,0,1,0,0,0|1,0,0]=3 990 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,0,1,0,0,0|1,0,0]=3 991 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,0,1,0,0,0|2,0,0]=4 992 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,0,1,0,0,0|2,0,0]=4 993 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,0,1,0,0,0|2,0,0]=4 994 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,0,1,0,0,0|2,0,0]=4 995 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,0,1,0,0,0|2,0,0]=4 996 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,0,1,0,0,0|2,0,0]=4 997 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,0,1,0,0,0|2,0,0]=4 998 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 999 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 1000 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 1001 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,0,1,0,0,0|2,0,0]=4 1002 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,1,0,0,0|0,0,0]=2 1003 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,1,0,0,0|0,0,0]=2 1004 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,0,1,0,0,0|1,0,1]=4 1005 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,0,1,0,0,0|1,0,1]=4 1006 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,0,1,0,0,0|1,0,1]=4 1007 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,0,1,0,0,0|1,0,1]=4 1008 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,0,1,0,0,0|1,0,0]=3 1009 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,0,1,0,0,0|2,0,0]=4 1010 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,0,1,0,0,0|2,0,0]=4 1011 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,0,1,0,0,0|1,0,0]=3 1012 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,0,1,0,0,0|2,0,0]=4 1013 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,0,1,0,0,0|2,0,0]=4 1014 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,1,0,0,0|2,0,0]=4 1015 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,1,0,0,0|1,0,1]=4 1016 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,1,1,0,0,0|1,0,1]=4 1017 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,1,1,0,0,0|1,0,1]=4 1018 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,1,1,0,0,0|1,0,1]=4 1019 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,1,0,0,0|2,0,0]=4 1020 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,1,0,0,0|1,0,0]=3 1021 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,1,0,0,0|1,0,1]=4 1022 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,1,0,0,0|1,0,1]=4 1023 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,1,0,0,0|1,0,0]=3 1024 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,1,0,0,0|2,0,0]=4 1025 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,1,0,0,0|2,0,0]=4 1026 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,1,0,0,0|2,0,0]=4 1027 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,1,0,0,0|2,0,0]=4 1028 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,1,0,0,0|2,0,0]=4 1029 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,1,0,0,0|2,0,0]=4 1030 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,1,0,0,0|2,0,0]=4 1031 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,1,0,0,0|2,0,0]=4 1032 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,1,0,0,0|2,0,0]=4 1033 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,1,0,0,0|2,0,0]=4 1034 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,1,0,0,0|2,0,0]=4 1035 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,1,0,0,0|2,0,0]=4 1036 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,1,0,0,0|2,0,0]=4 1037 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,1,0,0,0|1,0,1]=4 1038 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,1,0,0,0|1,0,1]=4 1039 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,1,0,0,0|1,0,1]=4 1040 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,1,1,0,0,0|2,0,0]=4 1041 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,1,1,0,0,0|2,0,0]=4 1042 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,1,1,0,0,0|2,0,0]=4 1043 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,1,1,0,0,0|1,0,1]=4 1044 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,1,1,0,0,0|1,0,1]=4 1045 B9R0.2 C#CCCNOCC(=O)O 269956a_100000106656_100000688953 [0,1,1,0,0,0|1,0,1]=4 1046 B9R0.2 C/C=C/CNOCC(=O)O 269956a_100000106656_100102629194 [0,1,1,0,0,0|1,0,1]=4 1047 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,1,0,0,0|2,0,0]=4 1048 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,1,0,0,0|2,0,0]=4 1049 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,1,1,0,0,0|2,0,0]=4 1050 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,1,1,0,0,0|2,0,0]=4 1051 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,1,1,0,0,0|2,0,0]=4 1052 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,1,1,0,0,0|2,0,0]=4 1053 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,1,0,0,0|2,0,0]=4 1054 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,1,1,0,0,0|2,0,0]=4 1055 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,1,0,0,0|1,0,1]=4 1056 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,1,1,0,0,0|1,0,1]=4 1057 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,1,1,0,0,0|1,0,1]=4 1058 B9R0.2 CC#CCNCCC(=O)N 2230a_100000685387_100000744528 [0,1,1,0,0,0|1,0,1]=4 1059 B9R0.2 CC#CCNCCC(=O)N 34a_100000685387_100000731001 [0,1,1,0,0,0|1,0,1]=4 1060 B9R0.2 CC#CCNOCC(=O)O 269956a_100000106656_100000748600 [0,1,1,0,0,0|1,0,1]=4 1061 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,1,0,0,0|2,0,0]=4 1062 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,1,0,0,0|2,0,0]=4 1063 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,1,0,0,0|2,0,0]=4 1064 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,1,0,0,0|2,0,0]=4 1065 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,1,0,0,0|2,0,0]=4 1066 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,1,0,0,0|2,0,0]=4 1067 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,1,0,0,0|2,0,0]=4 1068 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,1,0,0,0|2,0,0]=4 1069 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,1,0,0,0|2,0,0]=4 1070 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,1,0,0,0|2,0,0]=4 1071 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,1,0,0,0|2,0,0]=4 1072 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,1,0,0,0|2,0,0]=4 1073 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,1,0,0,0|2,0,0]=4 1074 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,1,0,0,0|2,0,0]=4 1075 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,1,0,0,0|2,0,0]=4 1076 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,1,0,0,0|1,0,0]=3 1077 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,1,0,0,0|1,0,0]=3 1078 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,1,0,0,0|2,0,0]=4 1079 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,1,0,0,0|2,0,0]=4 1080 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,1,0,0,0|2,0,0]=4 1081 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,1,0,0,0|2,0,0]=4 1082 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,1,0,0,0|2,0,0]=4 1083 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,1,0,0,0|2,0,0]=4 1084 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,1,0,0,0|2,0,0]=4 1085 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,1,0,0,0|2,0,0]=4 1086 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,1,0,0,0|2,0,0]=4 1087 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,1,0,0,0|2,0,0]=4 1088 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,1,0,0,0|2,0,0]=4 1089 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,1,0,0,0|2,0,0]=4 1090 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,1,0,0,0|2,0,0]=4 1091 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,1,1,0,0,0|1,0,1]=4 1092 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,1,1,0,0,0|1,0,1]=4 1093 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,1,1,0,0,0|1,0,1]=4 1094 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,1,1,0,0,0|1,0,1]=4 1095 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,1,1,0,0,0|1,0,1]=4 1096 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,1,1,0,0,0|1,0,1]=4 1097 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,1,0,0,0|2,0,0]=4 1098 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,1,0,0,0|2,0,0]=4 1099 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,1,0,0,0|2,0,0]=4 1100 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,1,0,0,0|2,0,0]=4 1101 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,1,0,0,0|2,0,0]=4 1102 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,1,0,0,0|2,0,0]=4 1103 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,1,0,0,0|2,0,0]=4 1104 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,1,0,0,0|2,0,0]=4 1105 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,1,0,0,0|2,0,0]=4 1106 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,1,0,0,0|1,0,0]=3 1107 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,1,0,0,0|2,0,0]=4 1108 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,1,0,0,0|2,0,0]=4 1109 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,1,0,0,0|2,0,0]=4 1110 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,1,0,0,0|1,0,1]=4 1111 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,1,0,0,0|2,0,0]=4 1112 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,1,0,0,0|2,0,0]=4 1113 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,1,0,0,0|1,0,1]=4 1114 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,1,0,0,0|1,0,1]=4 1115 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,1,0,0,0|1,0,0]=3 1116 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,1,0,0,0|1,0,0]=3 1117 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,1,0,0,0|1,0,0]=3 1118 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,1,0,0,0|1,0,1]=4 1119 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,1,0,0,0|1,0,1]=4 1120 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,1,0,0,0|1,0,1]=4 1121 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,1,0,0,0|1,0,0]=3 1122 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,1,0,0,0|2,0,0]=4 1123 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,1,0,0,0|2,0,0]=4 1124 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,1,0,0,0|2,0,0]=4 1125 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,1,0,0,0|2,0,0]=4 1126 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,1,0,0,0|2,0,0]=4 1127 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,1,0,0,0|2,0,0]=4 1128 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,1,0,0,0|2,0,0]=4 1129 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,1,0,0,0|2,0,0]=4 1130 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,1,0,0,0|2,0,0]=4 1131 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,1,0,0,0|2,0,0]=4 1132 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,1,0,0,0|2,0,0]=4 1133 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,1,0,0,0|2,0,0]=4 1134 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,1,0,0,0|1,0,0]=3 1135 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,1,0,0,0|2,0,0]=4 1136 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,1,0,0,0|1,0,0]=3 1137 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,1,0,0,0|1,0,0]=3 1138 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,1,0,0,0|2,0,0]=4 1139 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,1,0,0,0|2,0,0]=4 1140 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,1,0,0,0|2,0,0]=4 1141 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,1,0,0,0|2,0,0]=4 1142 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,1,0,0,0|2,0,0]=4 1143 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,1,0,0,0|2,0,0]=4 1144 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,1,0,0,0|2,0,0]=4 1145 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,1,0,0,0|2,0,0]=4 1146 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,1,0,0,0|2,0,0]=4 1147 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,1,0,0,0|2,0,0]=4 1148 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,1,0,0,0|2,0,0]=4 1149 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,1,0,0,0|2,0,0]=4 1150 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,1,0,0,0|2,0,0]=4 1151 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,1,0,0,0|2,0,0]=4 1152 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,1,0,0,0|2,0,0]=4 1153 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,1,0,0,0|2,0,0]=4 1154 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,1,0,0,0|2,0,0]=4 1155 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,1,0,0,0|2,0,0]=4 1156 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,1,0,0,0|2,0,0]=4 1157 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,1,0,0,0|2,0,0]=4 1158 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,1,0,0,0|2,0,0]=4 1159 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,1,0,0,0|2,0,0]=4 1160 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,1,0,0,0|2,0,0]=4 1161 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,1,0,0,0|2,0,0]=4 1162 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,1,0,0,0|2,0,0]=4 1163 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,1,0,0,0|2,0,0]=4 1164 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,1,0,0,0|2,0,0]=4 1165 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,1,0,0,0|1,0,1]=4 1166 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,1,0,0,0|1,0,0]=3 1167 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,1,0,0,0|2,0,0]=4 1168 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,1,0,0,0|2,0,0]=4 1169 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,1,0,0,0|2,0,0]=4 1170 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,1,0,0,0|1,0,0]=3 1171 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,1,0,0,0|2,0,0]=4 1172 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,1,0,0,0|2,0,0]=4 1173 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,1,0,0,0|2,0,0]=4 1174 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,1,0,0,0|2,0,0]=4 1175 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,1,1,0,0,0|1,0,0]=3 1176 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,1,0,0,0|2,0,0]=4 1177 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,1,0,0,0|2,0,0]=4 1178 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,1,1,0,0,0|2,0,0]=4 1179 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,1,1,0,0,0|2,0,0]=4 1180 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,1,0,0,0|2,0,0]=4 1181 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,1,0,0,0|2,0,0]=4 1182 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,1,0,0,0|2,0,0]=4 1183 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,1,0,0,0|1,0,1]=4 1184 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,1,0,0,0|1,0,1]=4 1185 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,1,0,0,0|1,0,1]=4 1186 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,1,0,0,0|1,0,0]=3 1187 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,1,0,0,0|1,0,0]=3 1188 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,1,0,0,0|1,0,0]=3 1189 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,1,0,0,0|1,0,0]=3 1190 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,1,0,0,0|1,0,0]=3 1191 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,1,0,0,0|1,0,0]=3 1192 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,1,0,0,0|1,0,0]=3 1193 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,1,1,0,0,0|1,0,1]=4 1194 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,1,1,0,0,0|1,0,1]=4 1195 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,1,0,0,0|1,0,0]=3 1196 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,1,0,0,0|1,0,0]=3 1197 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,1,0,0,0|1,0,0]=3 1198 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,1,0,0,0|1,0,0]=3 1199 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,1,0,0,0|0,0,1]=3 1200 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,1,0,0,0|1,0,1]=4 1201 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,1,0,0,0|1,0,1]=4 1202 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [0,1,1,0,0,0|1,0,1]=4 1203 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,1,0,0,0|2,0,0]=4 1204 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,1,0,0,0|2,0,0]=4 1205 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,1,0,0,0|2,0,0]=4 1206 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,1,0,0,0|2,0,0]=4 1207 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,1,0,0,0|2,0,0]=4 1208 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,1,0,0,0|2,0,0]=4 1209 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,1,0,0,0|1,0,1]=4 1210 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,1,0,0,0|2,0,0]=4 1211 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,1,0,0,0|2,0,0]=4 1212 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,1,0,0,0|2,0,0]=4 1213 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,1,0,0,0|2,0,0]=4 1214 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,1,0,0,0|2,0,0]=4 1215 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,1,0,0,0|2,0,0]=4 1216 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,1,0,0,0|1,0,0]=3 1217 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,1,0,0,0|1,0,1]=4 1218 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,1,0,0,0|2,0,0]=4 1219 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,1,0,0,0|2,0,0]=4 1220 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,1,0,0,0|1,0,1]=4 1221 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,1,0,0,0|2,0,0]=4 1222 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,1,0,0,0|2,0,0]=4 1223 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,1,0,0,0|1,0,1]=4 1224 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,1,0,0,0|1,0,1]=4 1225 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,1,0,0,0|1,0,0]=3 1226 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,1,1,0,0,0|1,0,1]=4 1227 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,1,1,0,0,0|1,0,1]=4 1228 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,1,1,0,0,0|1,0,0]=3 1229 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,1,0,0,0|2,0,0]=4 1230 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,1,0,0,0|2,0,0]=4 1231 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,1,0,0,0|2,0,0]=4 1232 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,1,0,0,0|2,0,0]=4 1233 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,1,0,0,0|2,0,0]=4 1234 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,1,0,0,0|2,0,0]=4 1235 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,1,0,0,0|2,0,0]=4 1236 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,1,0,0,0|2,0,0]=4 1237 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,1,0,0,0|2,0,0]=4 1238 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,1,0,0,0|2,0,0]=4 1239 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,1,0,0,0|2,0,0]=4 1240 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,1,0,0,0|2,0,0]=4 1241 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,1,0,0,0|2,0,0]=4 1242 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,1,0,0,0|2,0,0]=4 1243 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,1,0,0,0|2,0,0]=4 1244 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,1,0,0,0|2,0,0]=4 1245 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,1,0,0,0|2,0,0]=4 1246 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,1,0,0,0|2,0,0]=4 1247 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,1,0,0,0|2,0,0]=4 1248 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,1,0,0,0|2,0,0]=4 1249 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,1,0,0,0|2,0,0]=4 1250 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,1,0,0,0|2,0,0]=4 1251 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,1,0,0,0|2,0,0]=4 1252 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,1,0,0,0|2,0,0]=4 1253 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,1,0,0,0|2,0,0]=4 1254 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,1,0,0,0|2,0,0]=4 1255 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,1,0,0,0|1,0,1]=4 1256 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,1,0,0,0|1,0,0]=3 1257 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,1,1,0,0,0|1,0,1]=4 1258 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,1,1,0,0,0|1,0,1]=4 1259 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,1,1,0,0,0|1,0,0]=3 1260 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,1,0,0,0|2,0,0]=4 1261 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,1,0,0,0|2,0,0]=4 1262 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,1,0,0,0|2,0,0]=4 1263 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,1,0,0,0|2,0,0]=4 1264 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,1,0,0,0|2,0,0]=4 1265 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,1,0,0,0|2,0,0]=4 1266 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,1,0,0,0|2,0,0]=4 1267 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,1,0,0,0|2,0,0]=4 1268 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,1,0,0,0|2,0,0]=4 1269 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,1,0,0,0|2,0,0]=4 1270 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,1,0,0,0|2,0,0]=4 1271 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,1,0,0,0|2,0,0]=4 1272 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,1,0,0,0|2,0,0]=4 1273 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,1,1,0,0,0|2,0,0]=4 1274 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,1,0,0,0|2,0,0]=4 1275 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,1,0,0,0|2,0,0]=4 1276 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,1,0,0,0|2,0,0]=4 1277 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,1,0,0,0|2,0,0]=4 1278 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,1,0,0,0|2,0,0]=4 1279 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,1,1,0,0,0|2,0,0]=4 1280 B9R0.2 N#CCCNOCC(=O)O 269956a_100000106656_100011215226 [0,1,1,0,0,0|1,0,1]=4 1281 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,1,0,0,0|1,0,0]=3 1282 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,1,0,0,0|2,0,0]=4 1283 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,1,0,0,0|2,0,0]=4 1284 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,1,1,0,0,0|2,0,0]=4 1285 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,1,1,0,0,0|2,0,0]=4 1286 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,1,0,0,0|2,0,0]=4 1287 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,1,0,0,0|2,0,0]=4 1288 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,1,1,0,0,0|1,0,0]=3 1289 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,1,1,0,0,0|1,0,0]=3 1290 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,1,1,0,0,0|2,0,0]=4 1291 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,1,1,0,0,0|2,0,0]=4 1292 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,1,1,0,0,0|2,0,0]=4 1293 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,1,1,0,0,0|2,0,0]=4 1294 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,1,1,0,0,0|2,0,0]=4 1295 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,1,0,0,0|2,0,0]=4 1296 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,1,0,0,0|2,0,0]=4 1297 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,1,1,0,0,0|2,0,0]=4 1298 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,1,1,0,0,0|2,0,0]=4 1299 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,1,0,0,0|2,0,0]=4 1300 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,1,0,0,0|2,0,0]=4 1301 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,1,1,0,0,0|2,0,0]=4 1302 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,1,1,0,0,0|2,0,0]=4 1303 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,1,1,0,0,0|2,0,0]=4 1304 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,1,0,0,0|2,0,0]=4 1305 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,1,0,0,0|2,0,0]=4 1306 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,1,1,0,0,0|2,0,0]=4 1307 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,1,0,0,0|2,0,0]=4 1308 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,1,0,0,0|2,0,0]=4 1309 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,1,1,0,0,0|1,0,0]=3 1310 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,1,1,0,0,0|1,0,0]=3 1311 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,1,1,0,0,0|1,0,0]=3 1312 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,1,0,0,0|2,0,0]=4 1313 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,1,0,0,0|2,0,0]=4 1314 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,1,0,0,0|2,0,0]=4 1315 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,1,0,0,0|2,0,0]=4 1316 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,1,0,0,0|1,0,1]=4 1317 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,1,0,0,0|2,0,0]=4 1318 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,1,0,0,0|2,0,0]=4 1319 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,1,0,0,0|2,0,0]=4 1320 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,1,0,0,0|1,0,1]=4 1321 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,1,0,0,0|1,0,1]=4 1322 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,1,0,0,0|1,0,1]=4 1323 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,1,0,0,0|2,0,0]=4 1324 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,1,1,0,0,0|2,0,0]=4 1325 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,1,0,0,0|2,0,0]=4 1326 B9R0.38 CCCNCCS(=O)(=O)C 2230a_100000740961_100000210303 [0,1,1,0,0,0|1,0,1]=4 1327 B9R0.38 CCCNCCS(=O)(=O)C 34a_100000740961_100000210303 [0,1,1,0,0,0|1,0,1]=4 1328 B9R0.38 CCCNCCS(=O)(=O)N 2230a_100000738205_100000210303 [0,1,1,0,0,0|1,0,1]=4 1329 B9R0.38 CCCNCCS(=O)(=O)N 34a_100000738205_100000210303 [0,1,1,0,0,0|1,0,1]=4 1330 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,1,0,0,0|2,0,0]=4 1331 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,1,0,0,0|2,0,0]=4 1332 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,1,0,0,0|2,0,0]=4 1333 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,1,0,0,0|1,0,1]=4 1334 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,1,1,0,0,0|0,0,2]=4 1335 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,1,0,0,0|2,0,0]=4 1336 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,1,0,0,0|2,0,0]=4 1337 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,1,0,0,0|2,0,0]=4 1338 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,1,0,0,0|1,0,1]=4 1339 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,1,0,0,0|0,0,2]=4 1340 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,1,0,0,0|1,0,1]=4 1341 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,1,0,0,0|2,0,0]=4 1342 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,1,0,0,0|2,0,0]=4 1343 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,1,0,0,0|2,0,0]=4 1344 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,1,0,0,0|2,0,0]=4 1345 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,1,0,0,0|1,0,0]=3 1346 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,1,0,0,0|2,0,0]=4 1347 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,1,0,0,0|2,0,0]=4 1348 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,1,0,0,0|2,0,0]=4 1349 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,1,0,0,0|2,0,0]=4 1350 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,1,0,0,0|2,0,0]=4 1351 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,1,0,0,0|2,0,0]=4 1352 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,1,0,0,0|2,0,0]=4 1353 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,1,0,0,0|2,0,0]=4 1354 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,1,0,0,0|2,0,0]=4 1355 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,1,0,0,0|2,0,0]=4 1356 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,1,0,0,0|2,0,0]=4 1357 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,1,0,0,0|2,0,0]=4 1358 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,1,0,0,0|2,0,0]=4 1359 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,1,0,0,0|1,0,0]=3 1360 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,1,0,0,0|1,0,0]=3 1361 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,1,0,0,0|1,0,1]=4 1362 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,1,0,0,0|1,0,1]=4 1363 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,1,0,0,0|1,0,1]=4 1364 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,1,0,0,0|2,0,0]=4 1365 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,1,0,0,0|2,0,0]=4 1366 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,1,0,0,0|1,0,0]=3 1367 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,1,0,0,0|2,0,0]=4 1368 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,1,0,0,0|2,0,0]=4 1369 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,1,0,0,0|1,0,0]=3 1370 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,1,0,0,0|2,0,0]=4 1371 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,1,0,0,0|2,0,0]=4 1372 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,1,0,0,0|1,0,0]=3 1373 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,1,0,0,0|1,0,0]=3 1374 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,1,0,0,0|2,0,0]=4 1375 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,1,0,0,0|2,0,0]=4 1376 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,1,0,0,0|2,0,0]=4 1377 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,1,0,0,0|2,0,0]=4 1378 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,1,0,0,0|2,0,0]=4 1379 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,1,0,0,0|2,0,0]=4 1380 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,1,1,0,0,0|2,0,0]=4 1381 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,1,1,0,0,0|2,0,0]=4 1382 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,1,1,0,0,0|2,0,0]=4 1383 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,1,0,0,0|2,0,0]=4 1384 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,1,0,0,0|2,0,0]=4 1385 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,1,0,0,0|2,0,0]=4 1386 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,1,0,0,0|2,0,0]=4 1387 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,1,1,0,0,0|2,0,0]=4 1388 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,1,1,0,0,0|2,0,0]=4 1389 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,1,1,0,0,0|2,0,0]=4 1390 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,1,0,0,0|0,0,0]=2 1391 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,1,0,0,0|0,0,0]=2 1392 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,1,0,0,0|0,0,0]=2 1393 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,1,0,0,0|1,0,0]=3 1394 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,1,0,0,0|1,0,0]=3 1395 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,1,0,0,0|1,0,0]=3 1396 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,1,0,0,0|1,0,0]=3 1397 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,1,0,0,0|1,0,0]=3 1398 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,1,0,0,0|1,0,0]=3 1399 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,1,0,0,0|1,0,0]=3 1400 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,1,0,0,0|1,0,0]=3 1401 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,1,0,0,0|1,0,0]=3 1402 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,1,0,0,0|1,0,0]=3 1403 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,1,0,0,0|1,0,0]=3 1404 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,1,0,0,0|1,0,0]=3 1405 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,1,0,0,0|2,0,0]=4 1406 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,1,0,0,0|2,0,0]=4 1407 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,1,0,0,0|2,0,0]=4 1408 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,1,0,0,0|2,0,0]=4 1409 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,1,0,0,0|2,0,0]=4 1410 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,1,0,0,0|2,0,0]=4 1411 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,1,0,0,0|2,0,0]=4 1412 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,1,0,0,0|2,0,0]=4 1413 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,1,0,0,0|2,0,0]=4 1414 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,1,0,0,0|2,0,0]=4 1415 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,1,0,0,0|2,0,0]=4 1416 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,1,0,0,0|2,0,0]=4 1417 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,1,0,0,0|2,0,0]=4 1418 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,1,0,0,0|2,0,0]=4 1419 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,1,0,0,0|2,0,0]=4 1420 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,1,0,0,0|2,0,0]=4 1421 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,1,0,0,0|2,0,0]=4 1422 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,1,0,0,0|1,0,0]=3 1423 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,1,0,0,0|1,0,0]=3 1424 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,1,0,0,0|1,0,0]=3 1425 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,1,0,0,0|1,0,0]=3 1426 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,1,0,0,0|2,0,0]=4 1427 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,1,0,0,0|2,0,0]=4 1428 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,1,0,0,0|2,0,0]=4 1429 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,1,0,0,0|2,0,0]=4 1430 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,1,0,0,0|2,0,0]=4 1431 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,1,0,0,0|2,0,0]=4 1432 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,1,0,0,0|2,0,0]=4 1433 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,1,0,0,0|2,0,0]=4 1434 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,1,0,0,0|2,0,0]=4 1435 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,1,0,0,0|2,0,0]=4 1436 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,1,0,0,0|2,0,0]=4 1437 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,1,0,0,0|2,0,0]=4 1438 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,1,0,0,0|2,0,0]=4 1439 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,1,0,0,0|2,0,0]=4 1440 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,1,0,0,0|2,0,0]=4 1441 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,1,1,0,0,0|0,0,2]=4 1442 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,1,1,0,0,0|0,0,2]=4 1443 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,1,0,0,0|0,0,2]=4 1444 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,1,0,0,0|0,0,2]=4 1445 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,1,1,0,0,0|1,0,1]=4 1446 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,1,1,0,0,0|1,0,1]=4 1447 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,1,0,0,0|1,0,0]=3 1448 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,1,0,0,0|1,0,0]=3 1449 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,1,0,0,0|2,0,0]=4 1450 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,1,0,0,0|2,0,0]=4 1451 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,1,0,0,0|2,0,0]=4 1452 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,1,0,0,0|2,0,0]=4 1453 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,1,0,0,0|0,0,0]=2 1454 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,1,0,0,0|0,0,0]=2 1455 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,1,0,0,0|2,0,0]=4 1456 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,1,0,0,0|2,0,0]=4 1457 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,1,0,0,0|2,0,0]=4 1458 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,1,0,0,0|2,0,0]=4 1459 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,1,0,0,0|1,0,0]=3 1460 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,1,0,0,0|1,0,0]=3 1461 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,1,0,0,0|2,0,0]=4 1462 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,1,0,0,0|1,0,0]=3 1463 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,1,0,0,0|1,0,0]=3 1464 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,1,1,0,0,0|1,0,1]=4 1465 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,1,0,0,0|1,0,0]=3 1466 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,1,0,0,0|1,0,0]=3 1467 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,1,1,0,0,0|1,0,1]=4 1468 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,1,1,0,0,0|2,0,0]=4 1469 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,1,1,0,0,0|2,0,0]=4 1470 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,1,1,0,0,0|2,0,0]=4 1471 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,1,0,0,0|2,0,0]=4 1472 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,1,0,0,0|2,0,0]=4 1473 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,1,0,0,0|1,0,0]=3 1474 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,1,1,0,0,0|1,0,0]=3 1475 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,1,1,0,0,0|1,0,0]=3 1476 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,1,1,0,0,0|1,0,0]=3 1477 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,1,1,0,0,0|1,0,1]=4 1478 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,1,1,0,0,0|1,0,1]=4 1479 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,1,1,0,0,0|2,0,0]=4 1480 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,1,1,0,0,0|2,0,0]=4 1481 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,1,1,0,0,0|2,0,0]=4 1482 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,1,1,0,0,0|2,0,0]=4 1483 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,1,1,0,0,0|2,0,0]=4 1484 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,1,1,0,0,0|1,0,1]=4 1485 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,1,0,0,0|2,0,0]=4 1486 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,1,0,0,0|2,0,0]=4 1487 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,1,0,0,0|2,0,0]=4 1488 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,1,0,0,0|2,0,0]=4 1489 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,1,0,0,0|2,0,0]=4 1490 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,1,0,0,0|2,0,0]=4 1491 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,1,1,0,0,0|2,0,0]=4 1492 B9R0.48 CSCN(C)CCC(=O)N 2230a_100000730477_100011218213 [0,1,1,0,0,0|2,0,0]=4 1493 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,1,1,0,0,0|1,0,1]=4 1494 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,1,1,0,0,0|2,0,0]=4 1495 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,1,1,0,0,0|2,0,0]=4 1496 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,1,1,0,0,0|2,0,0]=4 1497 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,1,1,0,0,0|2,0,0]=4 1498 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,1,1,0,0,0|2,0,0]=4 1499 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,1,1,0,0,0|1,0,1]=4 1500 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,1,0,0,0|2,0,0]=4 1501 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,1,0,0,0|2,0,0]=4 1502 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,1,0,0,0|2,0,0]=4 1503 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,1,0,0,0|1,0,0]=3 1504 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,1,1,0,0,0|2,0,0]=4 1505 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,1,0,0,0|2,0,0]=4 1506 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,1,0,0,0|2,0,0]=4 1507 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,1,0,0,0|2,0,0]=4 1508 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,1,0,0,0|2,0,0]=4 1509 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,1,0,0,0|2,0,0]=4 1510 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,1,0,0,0|2,0,0]=4 1511 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,1,0,0,0|2,0,0]=4 1512 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,1,0,0,0|2,0,0]=4 1513 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,1,0,0,0|2,0,0]=4 1514 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,1,0,0,0|2,0,0]=4 1515 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,1,0,0,0|2,0,0]=4 1516 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,1,0,0,0|2,0,0]=4 1517 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,1,1,0,0,0|2,0,0]=4 1518 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,1,1,0,0,0|2,0,0]=4 1519 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,1,1,0,0,0|2,0,0]=4 1520 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,1,1,0,0,0|2,0,0]=4 1521 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,1,1,0,0,0|2,0,0]=4 1522 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,1,1,0,0,0|2,0,0]=4 1523 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,1,1,0,0,0|2,0,0]=4 1524 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,1,1,0,0,0|2,0,0]=4 1525 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,1,0,0,0|2,0,0]=4 1526 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,1,1,0,0,0|2,0,0]=4 1527 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,1,1,0,0,0|1,0,0]=3 1528 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,1,1,0,0,0|1,0,0]=3 1529 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,1,1,0,0,0|1,0,1]=4 1530 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,1,1,0,0,0|1,0,1]=4 1531 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,1,1,0,0,0|1,0,1]=4 1532 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,1,1,0,0,0|1,0,1]=4 1533 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,1,1,0,0,0|1,0,0]=3 1534 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,1,1,0,0,0|2,0,0]=4 1535 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,1,1,0,0,0|2,0,0]=4 1536 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,1,1,0,0,0|2,0,0]=4 1537 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,1,1,0,0,0|2,0,0]=4 1538 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,1,1,0,0,0|2,0,0]=4 1539 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,1,1,0,0,0|2,0,0]=4 1540 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,1,1,0,0,0|2,0,0]=4 1541 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,1,1,0,0,0|1,0,1]=4 1542 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,1,1,0,0,0|1,0,1]=4 1543 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,1,1,0,0,0|1,0,1]=4 1544 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,1,1,0,0,0|1,0,1]=4 1545 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,1,1,0,0,0|1,0,0]=3 1546 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,1,1,0,0,0|1,0,0]=3 1547 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,1,1,0,0,0|1,0,0]=3 1548 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,1,1,0,0,0|2,0,0]=4 1549 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,1,1,0,0,0|2,0,0]=4 1550 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,1,1,0,0,0|2,0,0]=4 1551 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,1,1,0,0,0|2,0,0]=4 1552 B9R0.55 CN(C)CCCCB(O)O 2230a_100102631434_200009817182 [0,1,1,0,0,0|1,0,1]=4 1553 B9R0.55 CN(C)CCCCB(O)O 269982a_100102631434_200009817182 [0,1,1,0,0,0|1,0,1]=4 1554 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,1,1,0,0,0|1,0,0]=3 1555 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,1,1,0,0,0|2,0,0]=4 1556 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,1,1,0,0,0|2,0,0]=4 1557 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,1,1,0,0,0|2,0,0]=4 1558 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,1,1,0,0,0|1,0,1]=4 1559 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,1,1,0,0,0|2,0,0]=4 1560 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,1,1,0,0,0|2,0,0]=4 1561 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,1,1,0,0,0|1,0,0]=3 1562 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,1,1,0,0,0|2,0,0]=4 1563 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,1,1,0,0,0|2,0,0]=4 1564 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,1,1,0,0,0|2,0,0]=4 1565 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,1,1,0,0,0|2,0,0]=4 1566 B9R0.55 NC(=O)CCNCC(F)F 34a_100000765723_100000731001 [0,1,1,0,0,0|2,0,0]=4 1567 B9R0.55 O=C(O)CONCC(F)F 269956a_100000106656_100011934356 [0,1,1,0,0,0|2,0,0]=4 1568 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,1,0,0,0|2,0,0]=4 1569 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,1,0,0,0|2,0,0]=4 1570 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,1,0,0,0|2,0,0]=4 1571 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,1,0,0,0|2,0,0]=4 1572 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,1,0,0,0|2,0,0]=4 1573 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,1,0,0,0|1,0,1]=4 1574 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,1,0,0,0|2,0,0]=4 1575 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,1,0,0,0|2,0,0]=4 1576 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,1,0,0,0|2,0,0]=4 1577 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,1,0,0,0|2,0,0]=4 1578 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,1,0,0,0|0,0,0]=2 1579 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,1,0,0,0|1,0,0]=3 1580 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,1,0,0,0|2,0,0]=4 1581 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,1,1,0,0,0|2,0,0]=4 1582 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,1,0,0,0|1,0,1]=4 1583 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,1,1,0,0,0|2,0,0]=4 1584 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,1,0,0,0|2,0,0]=4 1585 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,1,0,0,0|2,0,0]=4 1586 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,1,0,0,0|2,0,0]=4 1587 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,1,0,0,0|2,0,0]=4 1588 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,1,0,0,0|2,0,0]=4 1589 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,1,0,0,0|2,0,0]=4 1590 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,1,0,0,0|1,0,0]=3 1591 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,1,0,0,0|2,0,0]=4 1592 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 1593 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 1594 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 1595 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,1,0,0,0|2,0,0]=4 1596 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,1,0,0,0|2,0,0]=4 1597 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,1,0,0,0|2,0,0]=4 1598 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,1,0,0,0|2,0,0]=4 1599 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,1,0,0,0|2,0,0]=4 1600 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,1,0,0,0|2,0,0]=4 1601 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,1,0,0,0|1,0,0]=3 1602 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,1,0,0,0|1,0,0]=3 1603 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,1,0,0,0|1,0,1]=4 1604 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,1,0,0,0|1,0,0]=3 1605 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,1,0,0,0|1,0,0]=3 1606 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,1,0,0,0|1,0,0]=3 1607 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,1,0,0,0|2,0,0]=4 1608 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,1,0,0,0|2,0,0]=4 1609 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,1,0,0,0|1,0,0]=3 1610 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,1,0,0,0|1,0,0]=3 1611 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,1,1,0,0,0|2,0,0]=4 1612 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,1,1,0,0,0|2,0,0]=4 1613 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,1,1,0,0,0|2,0,0]=4 1614 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,1,1,0,0,0|2,0,0]=4 1615 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,1,0,0,0|2,0,0]=4 1616 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,1,0,0,0|2,0,0]=4 1617 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,1,0,0,0|2,0,0]=4 1618 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1619 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,1,0,0,0|2,0,0]=4 1620 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1621 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,1,0,0,0|2,0,0]=4 1622 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,1,1,0,0,0|2,0,0]=4 1623 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,1,1,0,0,0|2,0,0]=4 1624 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,1,1,0,0,0|2,0,0]=4 1625 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,1,1,0,0,0|2,0,0]=4 1626 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,1,0,0,0|2,0,0]=4 1627 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,1,0,0,0|2,0,0]=4 1628 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,1,0,0,0|2,0,0]=4 1629 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,1,0,0,0|2,0,0]=4 1630 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,1,0,0,0|2,0,0]=4 1631 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,1,0,0,0|1,0,0]=3 1632 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,1,0,0,0|2,0,0]=4 1633 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,1,0,0,0|2,0,0]=4 1634 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,1,0,0,0|2,0,0]=4 1635 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,1,0,0,0|2,0,0]=4 1636 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,1,0,0,0|2,0,0]=4 1637 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,1,0,0,0|2,0,0]=4 1638 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [0,1,1,0,0,0|2,0,0]=4 1639 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,1,0,0,0|2,0,0]=4 1640 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,1,0,0,0|2,0,0]=4 1641 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,1,0,0,0|2,0,0]=4 1642 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,1,0,0,0|2,0,0]=4 1643 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,1,0,0,0|2,0,0]=4 1644 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,1,0,0,0|2,0,0]=4 1645 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,1,0,0,0|2,0,0]=4 1646 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,1,0,0,0|2,0,0]=4 1647 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,1,0,0,0|2,0,0]=4 1648 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,1,0,0,0|2,0,0]=4 1649 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,1,0,0,0|2,0,0]=4 1650 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,1,0,0,0|2,0,0]=4 1651 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,1,0,0,0|2,0,0]=4 1652 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,1,0,0,0|2,0,0]=4 1653 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,1,0,0,0|2,0,0]=4 1654 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,1,0,0,0|2,0,0]=4 1655 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,1,1,0,0,0|2,0,0]=4 1656 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,1,1,0,0,0|2,0,0]=4 1657 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,1,1,0,0,0|2,0,0]=4 1658 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,1,0,0,0|2,0,0]=4 1659 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,1,0,0,0|2,0,0]=4 1660 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,1,0,0,0|2,0,0]=4 1661 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,1,0,0,0|2,0,0]=4 1662 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,1,1,0,0,0|2,0,0]=4 1663 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,1,1,0,0,0|2,0,0]=4 1664 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,1,1,0,0,0|2,0,0]=4 1665 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,1,0,0,0|2,0,0]=4 1666 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,1,0,0,0|1,0,0]=3 1667 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,1,0,0,0|1,0,0]=3 1668 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,1,0,0,0|2,0,0]=4 1669 B9R0.51 CC(C)(CNCF)C(=O)N 34a_100000740840_100015361967 [0,1,1,0,0,0|2,0,0]=4 1670 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,1,1,0,0,0|1,0,0]=3 1671 B9R0.51 CC(C)(OCCN)C(=O)N 34a_100000210304_100000702505 [0,1,1,0,0,0|2,0,0]=4 1672 B9R0.51 CC(C)(ONCF)C(=O)O 269956a_100016989451_100015361967 [0,1,1,0,0,0|2,0,0]=4 1673 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,1,0,0,0|2,0,0]=4 1674 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,1,0,0,0|2,0,0]=4 1675 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,1,0,0,0|2,0,0]=4 1676 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,1,0,0,0|2,0,0]=4 1677 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,1,1,0,0,0|1,0,0]=3 1678 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,1,1,0,0,0|1,0,0]=3 1679 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,1,1,0,0,0|0,0,0]=2 1680 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,1,1,0,0,0|1,0,0]=3 1681 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [0,1,1,0,0,0|1,0,0]=3 1682 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,1,1,0,0,0|2,0,0]=4 1683 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,1,1,0,0,0|2,0,0]=4 1684 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,1,1,0,0,0|2,0,0]=4 1685 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,1,1,0,0,0|2,0,0]=4 1686 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [0,1,1,0,0,0|2,0,0]=4 1687 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,1,1,0,0,0|2,0,0]=4 1688 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,1,1,0,0,0|2,0,0]=4 1689 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,1,1,0,0,0|2,0,0]=4 1690 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [0,1,1,0,0,0|2,0,0]=4 1691 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,1,1,0,0,0|1,0,0]=3 1692 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [0,1,1,0,0,0|2,0,0]=4 1693 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [0,1,1,0,0,0|2,0,0]=4 1694 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [0,1,1,0,0,0|2,0,0]=4 1695 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [0,1,1,0,0,0|2,0,0]=4 1696 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,1,1,0,0,0|2,0,0]=4 1697 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,1,1,0,0,0|2,0,0]=4 1698 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,1,1,0,0,0|2,0,0]=4 1699 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,1,1,0,0,0|2,0,0]=4 1700 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,1,1,0,0,0|2,0,0]=4 1701 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,1,1,0,0,0|2,0,0]=4 1702 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,1,1,0,0,0|2,0,0]=4 1703 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,1,1,0,0,0|2,0,0]=4 1704 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [0,1,1,0,0,0|2,0,0]=4 1705 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [0,1,1,0,0,0|2,0,0]=4 1706 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [0,1,1,0,0,0|2,0,0]=4 1707 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,1,1,0,0,0|2,0,0]=4 1708 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,1,1,0,0,0|2,0,0]=4 1709 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,1,1,0,0,0|2,0,0]=4 1710 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,1,1,0,0,0|1,0,0]=3 1711 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,1,1,0,0,0|2,0,0]=4 1712 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [0,1,1,0,0,0|2,0,0]=4 1713 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [0,1,1,0,0,0|2,0,0]=4 1714 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [0,1,1,0,0,0|2,0,0]=4 1715 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [0,1,1,0,0,0|2,0,0]=4 1716 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [0,1,1,0,0,0|2,0,0]=4 1717 B9R0.12 COC(=O)C(CN)OCF 34a_100000695228_100015361967 [0,1,1,0,0,0|2,0,0]=4 1718 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [0,1,1,0,0,0|2,0,0]=4 1719 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [0,1,1,0,0,0|2,0,0]=4 1720 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [0,1,1,0,0,0|2,0,0]=4 1721 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [0,1,1,0,0,0|2,0,0]=4 1722 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [0,1,1,0,0,0|2,0,0]=4 1723 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,1,1,0,0,0|2,0,0]=4 1724 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,1,1,0,0,0|2,0,0]=4 1725 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,1,1,0,0,0|2,0,0]=4 1726 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,1,1,0,0,0|2,0,0]=4 1727 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,1,1,0,0,0|2,0,0]=4 1728 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [0,1,1,0,0,0|2,0,0]=4 1729 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [0,1,1,0,0,0|2,0,0]=4 1730 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,1,1,0,0,0|2,0,0]=4 1731 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,1,1,0,0,0|2,0,0]=4 1732 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,1,1,0,0,0|1,0,0]=3 1733 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [0,1,1,0,0,0|2,0,0]=4 1734 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,1,1,0,0,0|1,0,0]=3 1735 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,1,1,0,0,0|1,0,0]=3 1736 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,1,1,0,0,0|1,0,0]=3 1737 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,1,1,0,0,0|1,0,0]=3 1738 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,1,1,0,0,0|2,0,0]=4 1739 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,1,1,0,0,0|2,0,0]=4 1740 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,1,1,0,0,0|2,0,0]=4 1741 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,1,1,0,0,0|2,0,0]=4 1742 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,1,1,0,0,0|2,0,0]=4 1743 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,1,1,0,0,0|2,0,0]=4 1744 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,1,1,0,0,0|2,0,0]=4 1745 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,1,1,0,0,0|2,0,0]=4 1746 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,1,1,0,0,0|2,0,0]=4 1747 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,1,1,0,0,0|2,0,0]=4 1748 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,1,0,0,0|2,0,0]=4 1749 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,1,0,0,0|2,0,0]=4 1750 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,1,0,0,0|2,0,0]=4 1751 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,1,0,0,0|2,0,0]=4 1752 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,1,1,0,0,0|2,0,0]=4 1753 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,1,1,0,0,0|2,0,0]=4 1754 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,1,1,0,0,0|2,0,0]=4 1755 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,1,1,0,0,0|2,0,0]=4 1756 B9R1.2 C#CC1CCCN(C1)C 2230a_100015191679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1757 B9R1.2 C#CC1CCCN(C1)C 269982a_100015191679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1758 B9R1.2 C#CC1CCCN(C1)C 34a_100015191679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1759 B9R1.2 C#CC1CCCN(C1)[13CH3] 2230a_100015191679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1760 B9R1.2 C#CC1CCCN(C1)[13CH3] 269982a_100015191679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1761 B9R1.2 C#CC1CCCN(C1)[13CH3] 34a_100015191679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1762 B9R1.2 CN1CCCC(C1)C#N 2230a_100016989302_200000210301 [1,1,0,0,0,0|1,0,1]=4 1763 B9R1.2 CN1CCCC(C1)C#N 269982a_206835378768_200000210301 [1,1,0,0,0,0|1,0,1]=4 1764 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1765 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1766 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1767 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [1,1,0,0,0,0|0,0,1]=3 1768 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [1,1,0,0,0,0|0,0,1]=3 1769 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [1,1,0,0,0,0|0,0,1]=3 1770 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [1,1,0,0,0,0|1,0,1]=4 1771 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [1,1,0,0,0,0|1,0,1]=4 1772 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [1,1,0,0,0,0|1,0,1]=4 1773 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [1,1,0,0,0,0|2,0,0]=4 1774 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [1,1,0,0,0,0|2,0,0]=4 1775 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [1,1,0,0,0,0|2,0,0]=4 1776 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [1,1,0,0,0,0|2,0,0]=4 1777 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [1,1,0,0,0,0|2,0,0]=4 1778 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [1,1,0,0,0,0|2,0,0]=4 1779 B9R1.2 [13CH3]N1CCCC(C1)C#N 2230a_100016989302_200025704644 [1,1,0,0,0,0|1,0,1]=4 1780 B9R1.2 [13CH3]N1CCCC(C1)C#N 269982a_206835378768_200025704644 [1,1,0,0,0,0|1,0,1]=4 1781 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1782 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1783 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1784 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [1,1,0,0,0,0|0,0,1]=3 1785 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [1,1,0,0,0,0|0,0,1]=3 1786 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [1,1,0,0,0,0|0,0,1]=3 1787 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [1,1,0,0,0,0|1,0,1]=4 1788 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [1,1,0,0,0,0|1,0,1]=4 1789 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [1,1,0,0,0,0|1,0,1]=4 1790 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,1,0,0,0,0|1,0,1]=4 1791 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,1,0,0,0,0|1,0,1]=4 1792 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,1,0,0,0,0|1,0,1]=4 1793 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [1,1,0,0,0,0|0,0,1]=3 1794 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [1,1,0,0,0,0|1,0,1]=4 1795 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [1,1,0,0,0,0|1,0,1]=4 1796 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [1,1,0,0,0,0|1,0,1]=4 1797 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [1,1,0,0,0,0|2,0,0]=4 1798 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [1,1,0,0,0,0|2,0,0]=4 1799 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [1,1,0,0,0,0|2,0,0]=4 1800 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,1,0,0,0,0|1,0,1]=4 1801 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,1,0,0,0,0|1,0,1]=4 1802 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [1,1,0,0,0,0|0,0,1]=3 1803 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [1,1,0,0,0,0|1,0,1]=4 1804 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [1,1,0,0,0,0|1,0,1]=4 1805 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [1,1,0,0,0,0|2,0,0]=4 1806 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,0,1,0|1,0,0]=3 1808 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,1,0,0,1,0|2,0,0]=4 1809 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,0,1,0|1,0,0]=3 1810 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,1,0,0,1,0|2,0,0]=4 1811 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,0,1,0|2,0,0]=4 1812 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,1,0,0,1,0|1,0,1]=4 1813 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,1,0,0,1,0|1,0,1]=4 1814 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,0,1,0|1,0,0]=3 1815 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,0,1,0|1,0,0]=3 1816 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,0,1,0|2,0,0]=4 1817 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,0,1,0|2,0,0]=4 1818 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,0,1,0|2,0,0]=4 1819 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,0,1,0|2,0,0]=4 1820 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,0,1,0|2,0,0]=4 1821 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,0,1,0|2,0,0]=4 1822 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,0,1,0|1,0,0]=3 1823 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,0,1,0|1,0,0]=3 1824 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,0,1,0|1,0,0]=3 1825 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,0,1,0|1,0,0]=3 1826 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,0,1,0|2,0,0]=4 1827 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,0,1,0|2,0,0]=4 1828 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,0,1,0|2,0,0]=4 1829 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,0,1,0|2,0,0]=4 1830 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,0,1,0|2,0,0]=4 1831 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,0,1,0|2,0,0]=4 1832 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,0,1,0|2,0,0]=4 1833 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,0,1,0|2,0,0]=4 1834 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,0,1,0|2,0,0]=4 1835 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,0,1,0|2,0,0]=4 1836 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,0,1,0|2,0,0]=4 1837 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,0,1,0|2,0,0]=4 1838 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,0,1,0|2,0,0]=4 1839 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,0,1,0|2,0,0]=4 1840 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,1,0,0,1,0|1,0,1]=4 1841 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,1,0,0,1,0|1,0,1]=4 1842 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,0,1,0|1,0,0]=3 1843 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,0,1,0|2,0,0]=4 1844 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,0,1,0|2,0,0]=4 1845 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,0,1,0|2,0,0]=4 1846 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,0,1,0|0,0,0]=2 1847 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,0,1,0|1,0,0]=3 1848 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,0,1,0|1,0,0]=3 1849 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,0,1,0|1,0,0]=3 1850 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,0,1,0|2,0,0]=4 1851 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,0,1,0|2,0,0]=4 1852 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,0,1,0|1,0,1]=4 1853 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,0,1,0|1,0,0]=3 1854 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,0,1,0|1,0,0]=3 1855 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,1,0,0,1,0|1,0,1]=4 1856 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,0,1,0|2,0,0]=4 1857 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,0,1,0|2,0,0]=4 1858 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,0,1,0|2,0,0]=4 1859 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,0,1,0|2,0,0]=4 1860 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,0,1,0|2,0,0]=4 1861 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,0,1,0|2,0,0]=4 1862 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,0,1,0|2,0,0]=4 1863 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,0,1,0|2,0,0]=4 1864 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,0,1,0|2,0,0]=4 1865 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,0,1,0|1,0,0]=3 1866 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,0,1,0|1,0,0]=3 1867 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,0,1,0|1,0,0]=3 1868 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,0,1,0|1,0,0]=3 1869 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,0,1,0|1,0,1]=4 1870 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,0,1,0|1,0,0]=3 1871 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,1,0,0,1,0|1,0,1]=4 1872 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,0,1,0|1,0,0]=3 1873 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,0,1,0|1,0,0]=3 1874 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,0,1,0|1,0,0]=3 1875 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,0,1,0|1,0,1]=4 1876 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,0,1,0|1,0,0]=3 1877 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,0,1,0|2,0,0]=4 1878 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,0,1,0|2,0,0]=4 1879 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,0,1,0|2,0,0]=4 1880 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,0,1,0|2,0,0]=4 1881 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,0,1,0|2,0,0]=4 1882 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,0,1,0|1,0,0]=3 1883 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,0,1,0|1,0,0]=3 1884 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,0,1,0|0,0,2]=4 1885 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,0,1,0|1,0,0]=3 1886 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,0,1,0|0,0,0]=2 1887 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,0,1,0|1,0,0]=3 1888 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,0,1,0|1,0,0]=3 1889 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,0,1,0|1,0,0]=3 1890 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,0,1,0|0,0,2]=4 1891 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,0,1,0|1,0,0]=3 1892 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,0,1,0|0,0,0]=2 1893 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,0,1,0|1,0,0]=3 1894 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,0,1,0|1,0,0]=3 1895 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,0,1,0|1,0,0]=3 1896 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,0,1,0|1,0,0]=3 1897 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,0,1,0|2,0,0]=4 1898 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,0,1,0|1,0,0]=3 1899 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,0,1,0|2,0,0]=4 1900 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,0,1,0|1,0,0]=3 1901 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,1,0,0,0,1|2,0,0]=4 1902 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,1,0,0,0,1|2,0,0]=4 1903 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,1,0,0,0,1|1,0,1]=4 1904 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,1,0,0,0,1|1,0,1]=4 1905 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,1,0,0,0,1|1,0,1]=4 1906 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,1,0,0,0,1|1,0,1]=4 1907 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,1,0,0,0,1|2,0,0]=4 1908 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,1,0,0,0,1|2,0,0]=4 1909 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,1,0,0,0,1|2,0,0]=4 1910 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,1,0,0,0,1|2,0,0]=4 1911 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,1,0,0,0,1|2,0,0]=4 1912 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,1,0,0,0,1|2,0,0]=4 1913 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1914 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,1,0,0,0,1|2,0,0]=4 1915 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,1,0,0,0,1|2,0,0]=4 1916 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,1,0,0,0,1|2,0,0]=4 1917 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,1,0,0,0,1|2,0,0]=4 1918 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,1,0,0,0,1|2,0,0]=4 1919 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,1,0,0,0,1|2,0,0]=4 1920 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,1,0,0,0,1|2,0,0]=4 1921 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,1,0,0,0,1|2,0,0]=4 1922 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,1,0,0,0,1|2,0,0]=4 1923 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,1,0,0,0,1|2,0,0]=4 1924 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,1,0,0,0,1|2,0,0]=4 1925 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,1,0,0,0,1|2,0,0]=4 1926 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,1,0,0,0,1|2,0,0]=4 1927 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,1,0,0,0,1|2,0,0]=4 1928 B11R1.40 C=CC(=O)NC1CCCOC1 1626a_100000719290_100000185746 [0,1,0,0,0,1|2,0,0]=4 1929 B11R1.40 C=CC(=O)NC1CCCOC1 240690a_100000719290_200121576911 [0,1,0,0,0,1|2,0,0]=4 1930 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,0,0,1|2,0,0]=4 1931 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,0,0,1|2,0,0]=4 1932 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,1,0,0,0,1|2,0,0]=4 1933 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,1,0,0,0,1|2,0,0]=4 1934 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,1,0,0,0,1|2,0,0]=4 1935 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,1,0,0,0,1|2,0,0]=4 1936 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,1,0,0,0,1|2,0,0]=4 1937 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,1,0,0,0,1|2,0,0]=4 1938 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,1,0,0,0,1|2,0,0]=4 1939 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,1,0,0,0,1|2,0,0]=4 1940 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,1,0,0,0,1|2,0,0]=4 1941 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,1,0,0,0,1|2,0,0]=4 1942 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,1,0,0,0,1|2,0,0]=4 1943 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,1,0,0,0,1|2,0,0]=4 1944 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,1,0,0,0,1|2,0,0]=4 1945 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,1,0,0,0,1|2,0,0]=4 1946 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,1,0,0,0,1|2,0,0]=4 1947 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,1,0,0,0,1|2,0,0]=4 1948 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,1,0,0,0,1|2,0,0]=4 1949 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,1,0,0,0,1|2,0,0]=4 1950 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,1,0,0,0,1|2,0,0]=4 1951 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,1,0,0,0,1|2,0,0]=4 1952 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,1,0,0,0,1|2,0,0]=4 1953 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,1,0,0,0,1|2,0,0]=4 1954 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,1,0,0,0,1|2,0,0]=4 1955 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,1,0,0,0,1|2,0,0]=4 1956 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,1,0,0,0,1|2,0,0]=4 1957 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,1,0,0,0,1|2,0,0]=4 1958 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,1,0,0,0,1|2,0,0]=4 1959 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,1,0,0,0,1|2,0,0]=4 1960 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [0,1,0,0,0,1|2,0,0]=4 1961 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [0,1,0,0,0,1|2,0,0]=4 1962 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [0,1,0,0,0,1|2,0,0]=4 1963 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,1,0,0,0,1|2,0,0]=4 1964 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,1,0,0,0,1|2,0,0]=4 1965 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,0,0,1|1,0,0]=3 1966 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,0,0,1|2,0,0]=4 1967 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,1,0,0,0,1|1,0,0]=3 1968 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,1,0,0,0,1|2,0,0]=4 1969 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,1,0,0,0,1|1,0,0]=3 1970 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,1,0,0,0,1|1,0,0]=3 1971 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,1,0,0,0,1|1,0,0]=3 1972 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,1,0,0,0,1|1,0,0]=3 1973 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [0,1,0,0,0,1|2,0,0]=4 1974 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [0,1,0,0,0,1|2,0,0]=4 1975 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [0,1,0,0,0,1|2,0,0]=4 1976 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [0,1,0,0,0,1|2,0,0]=4 1977 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,1,0,0,0,1|2,0,0]=4 1978 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,1,0,0,0,1|2,0,0]=4 1979 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,1,0,0,0,1|2,0,0]=4 1980 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,1,0,0,0,1|2,0,0]=4 1981 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,1,0,0,0,1|1,0,1]=4 1982 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,1,0,0,0,1|1,0,1]=4 1983 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,1,0,0,0,1|1,0,1]=4 1984 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,1,0,0,0,1|1,0,1]=4 1985 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,1,0,0,0,1|2,0,0]=4 1986 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,1,0,0,0,1|2,0,0]=4 1987 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,1,0,0,0,1|2,0,0]=4 1988 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,1,0,0,0,1|2,0,0]=4 1989 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,1,0,0,0,1|2,0,0]=4 1990 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,1,0,0,0,1|2,0,0]=4 1991 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [0,1,0,0,0,1|2,0,0]=4 1992 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [0,1,0,0,0,1|2,0,0]=4 1993 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,1,0,0,0,1|2,0,0]=4 1994 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,1,0,0,0,1|1,0,0]=3 1995 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1996 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1997 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1998 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,1,0,0,0,1|2,0,0]=4 1999 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,1,0,0,0,1|2,0,0]=4 2000 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,1,0,0,0,1|2,0,0]=4 2001 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,1,0,0,0,1|1,0,0]=3 2002 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,1,0,0,0,1|1,0,0]=3 2003 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,1,0,0,0,1|1,0,0]=3 2004 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,1,0,0,0,1|1,0,0]=3 2005 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,1,0,0,0,1|1,0,0]=3 2006 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,1,0,0,0,1|1,0,0]=3 2007 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,1,0,0,0,1|2,0,0]=4 2008 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,1,0,0,0,1|0,0,0]=2 2009 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,1,0,0,0,1|1,0,0]=3 2010 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,1,0,0,0,1|0,0,0]=2 2011 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,1,0,0,0,1|1,0,0]=3 2012 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,1,0,0,0,1|2,0,0]=4 2013 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,1,0,0,0,1|2,0,0]=4 2014 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,1,0,0,0,1|2,0,0]=4 2015 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,1,0,0,0,1|2,0,0]=4 2016 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,1,0,0,0,1|2,0,0]=4 2017 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,1,0,0,0,1|2,0,0]=4 2018 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,0,0,1|2,0,0]=4 2019 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,0,0,1|2,0,0]=4 2020 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,1,0,0,0,1|1,0,1]=4 2021 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,0,0,1|1,0,0]=3 2022 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,0,0,1|2,0,0]=4 2023 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,0,0,1|1,0,0]=3 2024 B11R1.497 CC(=O)N1CCCNC(=O)C1 11a_100015190381_100015343762 [0,1,0,0,0,1|2,0,0]=4 2025 B11R1.497 CC(=O)N1CCCNC(=O)C1 1626a_100015190381_100015343762 [0,1,0,0,0,1|2,0,0]=4 2026 B11R1.497 CC(=O)N1CCCNC(=O)C1 240690a_100015190381_100015343762 [0,1,0,0,0,1|2,0,0]=4 2027 B11R1.497 CC(=O)N1CCCNC(=O)C1 527a_100015190381_100103153847 [0,1,0,0,0,1|2,0,0]=4 2028 B11R1.565 CC(=O)N1CCCN(CC1)C 2230a_100000233754_200000210301 [0,1,0,0,0,1|2,0,0]=4 2029 B11R1.565 CC(=O)N1CCCN(CC1)C 240690a_100000211313_100015343762 [0,1,0,0,0,1|2,0,0]=4 2030 B11R1.565 CC(=O)N1CCCN(CC1)C 269982a_100000233754_200000210301 [0,1,0,0,0,1|2,0,0]=4 2031 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 2230a_100000233754_200025704644 [0,1,0,0,0,1|2,0,0]=4 2032 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 269982a_100000233754_200025704644 [0,1,0,0,0,1|2,0,0]=4 2033 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,0,0,1|0,0,0]=2 2034 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,0,0,1|0,0,0]=2 2035 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,1,0,0,0,1|2,0,0]=4 2036 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,0,0,1|2,0,0]=4 2037 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,0,0,1|2,0,0]=4 2038 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,0,0,1|2,0,0]=4 2039 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,0,0,1|2,0,0]=4 2040 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,0,0,1|2,0,0]=4 2041 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,0,0,1|2,0,0]=4 2042 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,0,0,1|2,0,0]=4 2043 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,0,0,1|2,0,0]=4 2044 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,0,0,1|1,0,0]=3 2045 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,0,0,1|2,0,0]=4 2046 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,0,0,1|2,0,0]=4 2047 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,1,0,0,0,1|2,0,0]=4 2048 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,1,0,0,0,1|2,0,0]=4 2049 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [0,2,0,0,0,0|2,0,0]=4 2050 B11R1.3 CC(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200000210301 [0,2,0,0,0,0|2,0,0]=4 2051 B11R1.3 CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210202 [0,2,0,0,0,0|2,0,0]=4 2052 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,2,0,0,0,0|2,0,0]=4 2053 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,2,0,0,0,0|2,0,0]=4 2054 B11R1.3 CNC1CCC(CC1)C(=O)N 270004a_106832991635_200000102705 [0,2,0,0,0,0|2,0,0]=4 2055 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [0,2,0,0,0,0|1,0,0]=3 2056 B11R1.3 COC1CCC(CC1)C(=O)C 1458a_100011215563_200000210301 [0,2,0,0,0,0|2,0,0]=4 2057 B11R1.3 COC1CCC(CC1)C(=O)[13CH3] 1458a_100011215563_200025704644 [0,2,0,0,0,0|2,0,0]=4 2058 B11R1.3 O=C(O)C1CCN(CC1)CF 269956a_100000210459_100015361967 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.3 [13CH3]C(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200025704644 [0,2,0,0,0,0|2,0,0]=4 2061 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [0,2,0,0,0,0|1,0,0]=3 2062 B11R1.21 CC(=O)C1CCC(=O)N(C1)C 1458a_100011430921_200000210301 [0,2,0,0,0,0|1,0,1]=4 2063 B11R1.21 CN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011430921_200025704644 [0,2,0,0,0,0|1,0,1]=4 2064 B11R1.22 C#CC(=O)C1CCC(CC1)C 1458a_100000211873_200011216234 [0,2,0,0,0,0|2,0,0]=4 2065 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [0,2,0,0,0,0|2,0,0]=4 2066 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [0,2,0,0,0,0|1,0,0]=3 2067 B11R1.22 CC1CCN(CC1)C(=O)CO 240690a_100000188429_100000210174 [0,2,0,0,0,0|2,0,0]=4 2068 B11R1.22 CC1CCN(CC1)C(=O)CO 527a_100000188429_100000210174 [0,2,0,0,0,0|2,0,0]=4 2069 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,2,0,0,0,0|1,0,1]=4 2070 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [0,2,0,0,0,0|2,0,0]=4 2071 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [0,2,0,0,0,0|2,0,0]=4 2072 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [0,2,0,0,0,0|2,0,0]=4 2073 B11R1.22 CNC(=O)C1CCC(=O)NC1 11a_106832991635_100000740907 [0,2,0,0,0,0|1,0,1]=4 2074 B11R1.22 CNC(=O)C1CCC(=O)NC1 1626a_100102657272_100000740907 [0,2,0,0,0,0|1,0,1]=4 2075 B11R1.22 CNC(=O)C1CCC(=O)NC1 240690a_100102657272_100000740907 [0,2,0,0,0,0|1,0,1]=4 2076 B11R1.22 CNC(=O)C1CCC(=O)NC1 527a_100102657272_100000740907 [0,2,0,0,0,0|1,0,1]=4 2077 B11R1.22 CNC(=O)C1CCC(CC1)O 1626a_100102657272_100000743365 [0,2,0,0,0,0|2,0,0]=4 2078 B11R1.22 CNC(=O)C1CCC(CC1)O 240690a_100102657272_100000743365 [0,2,0,0,0,0|2,0,0]=4 2079 B11R1.22 CNC(=O)C1CCC(CC1)O 527a_100102657272_100000743365 [0,2,0,0,0,0|2,0,0]=4 2080 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 11a_106832991635_100009815934 [0,2,0,0,0,0|2,0,0]=4 2081 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100102657272_100009815934 [0,2,0,0,0,0|2,0,0]=4 2082 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100102657272_100009815934 [0,2,0,0,0,0|2,0,0]=4 2083 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100102657272_100009815934 [0,2,0,0,0,0|2,0,0]=4 2084 B11R1.22 COC(=O)C1CCN(CC1)C 2230a_100000212072_200000210301 [0,2,0,0,0,0|2,0,0]=4 2085 B11R1.22 COC(=O)C1CCN(CC1)C 269982a_100000212072_200000210301 [0,2,0,0,0,0|2,0,0]=4 2086 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 2230a_100000212072_200025704644 [0,2,0,0,0,0|2,0,0]=4 2087 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 269982a_100000212072_200025704644 [0,2,0,0,0,0|2,0,0]=4 2088 B11R1.22 C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815934_100015361967 [0,2,0,0,0,0|2,0,0]=4 2089 B11R1.22 O=C(CF)C1CCC(CC1)O 1458a_100000743365_100015361967 [0,2,0,0,0,0|2,0,0]=4 2090 B11R1.22 O=C(CO)N1CCC(CC1)F 240690a_100015193889_100000210174 [0,2,0,0,0,0|2,0,0]=4 2091 B11R1.22 O=C(CO)N1CCC(CC1)F 527a_100015193889_100000210174 [0,2,0,0,0,0|2,0,0]=4 2092 B11R1.22 O=C(CO)N1CCC(CC1)O 240690a_100025773856_100000210174 [0,2,0,0,0,0|2,0,0]=4 2093 B11R1.22 O=C(CO)N1CCC(CC1)O 527a_100025773856_100000210174 [0,2,0,0,0,0|2,0,0]=4 2094 B11R1.22 O=C1CCC(CN1)C(=O)CF 1458a_100000740907_100015361967 [0,2,0,0,0,0|1,0,1]=4 2095 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,2,0,0,0,0|2,0,0]=4 2096 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,2,0,0,0,0|2,0,0]=4 2097 B11R1.220 CC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000699452_200025704644 [0,2,0,0,0,0|2,0,0]=4 2098 B11R1.220 CN1CCC(CC1)(C)C(=O)O 269956a_100000699452_200000210301 [0,2,0,0,0,0|2,0,0]=4 2099 B11R1.220 CN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200000210301 [0,2,0,0,0,0|2,0,0]=4 2100 B11R1.220 [13CH3]N1CCC(CC1)(F)C(=O)O 269956a_100020586884_200025704644 [0,2,0,0,0,0|2,0,0]=4 2101 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000070787_100009865109 [0,2,0,0,0,0|2,0,0]=4 2102 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000752077_200000210301 [0,2,0,0,0,0|2,0,0]=4 2103 B11R1.727 [13CH3]C(=O)C1CCC(CC1)(F)F 1458a_100000752077_200025704644 [0,2,0,0,0,0|2,0,0]=4 2104 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100000210647_100000184674 [0,2,0,0,0,0|2,0,0]=4 2105 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100011220946_100000210327 [0,2,0,0,0,0|2,0,0]=4 2106 B11R1.16 C#CCC(=O)C1CCCOC1 1458a_100000741522_100000184674 [0,2,0,0,0,0|2,0,0]=4 2107 B11R1.16 C#CCC(=O)C1CCCOC1 1458a_100011220946_100000693364 [0,2,0,0,0,0|2,0,0]=4 2108 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [0,2,0,0,0,0|2,0,0]=4 2109 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [0,2,0,0,0,0|2,0,0]=4 2110 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000210193_100000693364 [0,2,0,0,0,0|2,0,0]=4 2111 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000741522_100000210623 [0,2,0,0,0,0|2,0,0]=4 2112 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [0,2,0,0,0,0|2,0,0]=4 2113 B11R1.16 CC#CC(=O)C1CCCOC1 1458a_100000763181_100000693364 [0,2,0,0,0,0|2,0,0]=4 2114 B11R1.16 CC(OCF)C1CCCNC1 34a_100000740858_100015361967 [0,2,0,0,0,0|1,0,1]=4 2115 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,2,0,0,0,0|2,0,0]=4 2116 B11R1.16 CC=CC(=O)C1CCCOC1 1458a_100000210699_100000693364 [0,2,0,0,0,0|2,0,0]=4 2117 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,2,0,0,0,0|2,0,0]=4 2118 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,2,0,0,0,0|2,0,0]=4 2119 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,2,0,0,0,0|2,0,0]=4 2120 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,2,0,0,0,0|2,0,0]=4 2121 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,2,0,0,0,0|2,0,0]=4 2122 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,2,0,0,0,0|2,0,0]=4 2123 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,2,0,0,0,0|2,0,0]=4 2124 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,2,0,0,0,0|2,0,0]=4 2125 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,2,0,0,0,0|2,0,0]=4 2126 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,2,0,0,0,0|2,0,0]=4 2127 B11R1.16 CCOC(C)C1CCCNC1 34a_100000740858_100000210202 [0,2,0,0,0,0|1,0,1]=4 2128 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,2,0,0,0,0|2,0,0]=4 2129 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,2,0,0,0,0|2,0,0]=4 2130 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,2,0,0,0,0|2,0,0]=4 2131 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [0,2,0,0,0,0|2,0,0]=4 2132 B11R1.16 CNNC(=O)C1CCCOC1 22a_100016993582_100000741522 [0,2,0,0,0,0|2,0,0]=4 2133 B11R1.16 COCC(=O)C1C=CCCC1 1458a_100000210968_100000751183 [0,2,0,0,0,0|1,0,1]=4 2134 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,2,0,0,0,0|1,0,0]=3 2135 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,2,0,0,0,0|1,0,0]=3 2136 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,2,0,0,0,0|1,0,0]=3 2137 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,2,0,0,0,0|2,0,0]=4 2138 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,2,0,0,0,0|2,0,0]=4 2139 B11R1.16 COCC(=O)N1CCCCC1 34a_100138415774_100000183409 [0,2,0,0,0,0|2,0,0]=4 2140 B11R1.16 COCC(=O)N1CCCCC1 7a_100011315646_200000210301 [0,2,0,0,0,0|2,0,0]=4 2141 B11R1.16 COCC(=O)N1CCCOC1 11a_100000131196_100000210968 [0,2,0,0,0,0|2,0,0]=4 2142 B11R1.16 COCC(=O)N1CCCOC1 240690a_100000131196_100000210968 [0,2,0,0,0,0|2,0,0]=4 2143 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,2,0,0,0,0|1,1,0]=4 2144 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,2,0,0,0,0|1,1,0]=4 2145 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,2,0,0,0,0|1,1,0]=4 2146 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,2,0,0,0,0|1,1,0]=4 2147 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100000210647_100011214920 [0,2,0,0,0,0|2,0,0]=4 2148 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100051588842_100000210327 [0,2,0,0,0,0|2,0,0]=4 2149 B11R1.16 N#CCC(=O)C1CCCOC1 1458a_100000741522_100011214920 [0,2,0,0,0,0|2,0,0]=4 2150 B11R1.16 N#CCC(=O)C1CCCOC1 1458a_100051588842_100000693364 [0,2,0,0,0,0|2,0,0]=4 2151 B11R1.16 O=C(C=CBr)C1CCCCC1 1458a_100016273825_100000210327 [0,2,0,0,0,0|2,0,0]=4 2152 B11R1.16 O=C(C=CBr)C1CCCOC1 1458a_100016273825_100000693364 [0,2,0,0,0,0|2,0,0]=4 2153 B11R1.16 O=C(C=CCl)C1CCCCC1 1458a_200016279998_100000210327 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.16 O=C(C=CCl)C1CCCOC1 1458a_200016279998_100000693364 [0,2,0,0,0,0|2,0,0]=4 2155 B11R1.16 O=C(C=CI)C1CCCCC1 1458a_100016256311_100000210327 [0,2,0,0,0,0|2,0,0]=4 2156 B11R1.16 O=C(C=CI)C1CCCOC1 1458a_100016256311_100000693364 [0,2,0,0,0,0|2,0,0]=4 2157 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,2,0,0,0,0|2,0,0]=4 2158 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,2,0,0,0,0|2,0,0]=4 2159 B11R1.16 O=C(CCO)C1C=CCCC1 1458a_100011216618_100000751183 [0,2,0,0,0,0|1,0,1]=4 2160 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,2,0,0,0,0|1,0,0]=3 2161 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,2,0,0,0,0|1,0,0]=3 2162 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,2,0,0,0,0|2,0,0]=4 2163 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,2,0,0,0,0|1,0,0]=3 2164 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,2,0,0,0,0|1,0,0]=3 2165 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,2,0,0,0,0|2,0,0]=4 2166 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,2,0,0,0,0|2,0,0]=4 2167 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,2,0,0,0,0|2,0,0]=4 2168 B11R1.16 O=C(CCO)C1COCCO1 1458a_100000045528_100000211926 [0,2,0,0,0,0|2,0,0]=4 2169 B11R1.16 O=C(CCO)N1CCCOC1 240690a_100000131196_100011216618 [0,2,0,0,0,0|2,0,0]=4 2170 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [0,2,0,0,0,0|1,0,1]=4 2171 B11R1.16 [13CH3]OCC(=O)N1CCCCC1 7a_100011315646_200025704644 [0,2,0,0,0,0|2,0,0]=4 2172 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,2,0,0,0,0|1,1,0]=4 2173 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,2,0,0,0,0|1,1,0]=4 2174 B11R1.23 CC1CCCC(C1)C(=O)CF 1458a_100011215569_100015361967 [0,2,0,0,0,0|2,0,0]=4 2175 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,2,0,0,0,0|2,0,0]=4 2177 B11R1.23 CCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210202 [0,2,0,0,0,0|1,0,0]=3 2178 B11R1.23 CCC(=O)C1CN(CCO1)C 1458a_100011543126_100000210202 [0,2,0,0,0,0|2,0,0]=4 2179 B11R1.23 CN1CCCC(C1)C(=O)CF 1458a_100015257587_100015361967 [0,2,0,0,0,0|1,0,0]=3 2180 B11R1.23 CN1CCOC(C1)C(=O)CF 1458a_100011543126_100015361967 [0,2,0,0,0,0|2,0,0]=4 2181 B11R1.23 CNC(=O)C1CCCC(C1)C 11a_106832991635_100011215569 [0,2,0,0,0,0|2,0,0]=4 2182 B11R1.23 CNC(=O)C1CCCC(C1)C 1626a_100102657272_100011215569 [0,2,0,0,0,0|2,0,0]=4 2183 B11R1.23 CNC(=O)C1CCCC(C1)C 240690a_100102657272_100011215569 [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.23 CNC(=O)C1CCCC(C1)C 527a_100102657272_100011215569 [0,2,0,0,0,0|2,0,0]=4 2185 B11R1.23 CNC(=O)C1CCCC(C1)O 1626a_100102657272_100000707227 [0,2,0,0,0,0|2,0,0]=4 2186 B11R1.23 CNC(=O)C1CCCC(C1)O 240690a_100102657272_100000707227 [0,2,0,0,0,0|2,0,0]=4 2187 B11R1.23 CNC(=O)C1CCCN(C1)C 11a_106832991635_100015257587 [0,2,0,0,0,0|1,0,0]=3 2188 B11R1.23 CNC(=O)C1CCCN(C1)C 2230a_100000754358_200000210301 [0,2,0,0,0,0|1,0,0]=3 2189 B11R1.23 CNC(=O)C1CCCN(C1)C 240690a_100102657272_100015257587 [0,2,0,0,0,0|1,0,0]=3 2190 B11R1.23 CNC(=O)C1CCCN(C1)C 269982a_100000754358_200000210301 [0,2,0,0,0,0|1,0,0]=3 2191 B11R1.23 CNC(=O)C1CCCN(C1)C 34a_100000754358_200000210301 [0,2,0,0,0,0|1,0,0]=3 2192 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 2230a_100000754358_200025704644 [0,2,0,0,0,0|1,0,0]=3 2193 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 269982a_100000754358_200025704644 [0,2,0,0,0,0|1,0,0]=3 2194 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 34a_100000754358_200025704644 [0,2,0,0,0,0|1,0,0]=3 2195 B11R1.23 CNC(=O)C1CN(CCO1)C 11a_106832991635_100011543126 [0,2,0,0,0,0|2,0,0]=4 2196 B11R1.23 CNC(=O)C1CN(CCO1)C 240690a_100102657272_100011543126 [0,2,0,0,0,0|2,0,0]=4 2197 B11R1.23 CNC(=O)C1CN(CCO1)C 527a_100102657272_100011543126 [0,2,0,0,0,0|2,0,0]=4 2198 B11R1.23 COC(=O)C1CN(CCO1)C 2230a_100000751517_200000210301 [0,2,0,0,0,0|1,0,0]=3 2199 B11R1.23 COC(=O)C1CN(CCO1)C 269982a_100000751517_200000210301 [0,2,0,0,0,0|1,0,0]=3 2200 B11R1.23 COC(=O)C1CN(CCO1)C 34a_100000751517_200000210301 [0,2,0,0,0,0|1,0,0]=3 2201 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 2230a_100000751517_200025704644 [0,2,0,0,0,0|1,0,0]=3 2202 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 269982a_100000751517_200025704644 [0,2,0,0,0,0|1,0,0]=3 2203 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 34a_100000751517_200025704644 [0,2,0,0,0,0|1,0,0]=3 2204 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [0,2,0,0,0,0|0,0,0]=2 2205 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [0,2,0,0,0,0|0,0,0]=2 2206 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [0,2,0,0,0,0|0,0,0]=2 2207 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [0,2,0,0,0,0|0,0,0]=2 2208 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 240690a_100000717927_100000210174 [0,2,0,0,0,0|2,0,0]=4 2209 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 527a_100000717927_100000210174 [0,2,0,0,0,0|2,0,0]=4 2210 B11R1.23 O=C(CF)C1CCCC(C1)O 1458a_100000707227_100015361967 [0,2,0,0,0,0|2,0,0]=4 2211 B11R1.23 O=C(CO)N1CCCC(C1)F 240690a_100000697950_100000210174 [0,2,0,0,0,0|2,0,0]=4 2212 B11R1.23 O=C(CO)N1CCCC(C1)F 527a_100000697950_100000210174 [0,2,0,0,0,0|2,0,0]=4 2213 B11R1.23 O=C(CO)N1CCCC(C1)O 240690a_100000211013_100000210174 [0,2,0,0,0,0|2,0,0]=4 2214 B11R1.23 O=C(CO)N1CCCC(C1)O 527a_100000211013_100000210174 [0,2,0,0,0,0|2,0,0]=4 2215 B11R1.222 C#CC(=O)C1CCCNC1=O 1458a_100000211873_100000687798 [0,2,0,0,0,0|1,0,1]=4 2216 B11R1.222 C=CC(=O)C1CCCNC1=O 1458a_100000185746_100000687798 [0,2,0,0,0,0|1,0,1]=4 2217 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,2,0,0,0,0|2,0,0]=4 2218 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,2,0,0,0,0|2,0,0]=4 2219 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,2,0,0,0,0|2,0,0]=4 2220 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,2,0,0,0,0|2,0,0]=4 2221 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,2,0,0,0,0|2,0,0]=4 2222 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,2,0,0,0,0|1,0,1]=4 2223 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,2,0,0,0,0|1,0,1]=4 2224 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,2,0,0,0,0|2,0,0]=4 2225 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,2,0,0,0,0|2,0,0]=4 2226 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,2,0,0,0,0|2,0,0]=4 2227 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,2,0,0,0,0|2,0,0]=4 2228 B11R1.222 CNC(=O)C1CCCNC1=O 11a_106832991635_100000087122 [0,2,0,0,0,0|1,0,1]=4 2229 B11R1.222 CNC(=O)C1CCCNC1=O 240690a_100102657272_100000087122 [0,2,0,0,0,0|1,0,1]=4 2230 B11R1.222 CNC(=O)C1CCCNC1=O 527a_100102657272_100000087122 [0,2,0,0,0,0|1,0,1]=4 2231 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,2,0,0,0,0|2,0,0]=4 2232 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,2,0,0,0,0|2,0,0]=4 2233 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,2,0,0,0,0|2,0,0]=4 2234 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,2,0,0,0,0|2,0,0]=4 2235 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,2,0,0,0,0|2,0,0]=4 2236 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,2,0,0,0,0|2,0,0]=4 2237 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,2,0,0,0,0|2,0,0]=4 2242 B11R1.222 O=C(CF)C1CCCNC1=O 1458a_100000087122_100015361967 [0,2,0,0,0,0|1,0,1]=4 2243 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,2,0,0,0,0|1,0,1]=4 2244 B11R1.222 O=C(CO)C1CCCNC1=O 1458a_100000210174_100000687798 [0,2,0,0,0,0|0,0,1]=3 2245 B11R1.222 O=C(CO)C1COCCC1=O 1458a_100000210174_100012180262 [0,2,0,0,0,0|1,0,1]=4 2246 B11R1.878 CC1(CCCCC1)C(=O)CF 1458a_100000762840_100015361967 [0,2,0,0,0,0|2,0,0]=4 2247 B11R1.878 CCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210202 [0,2,0,0,0,0|2,0,0]=4 2248 B11R1.878 CCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210202 [0,2,0,0,0,0|2,0,0]=4 2249 B11R1.878 CCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210202 [0,2,0,0,0,0|2,0,0]=4 2250 B11R1.878 CNC(=O)C1(CCCCC1)C 11a_106832991635_100000762840 [0,2,0,0,0,0|2,0,0]=4 2251 B11R1.878 CNC(=O)C1(CCCCC1)C 1626a_100102657272_100000762840 [0,2,0,0,0,0|2,0,0]=4 2252 B11R1.878 CNC(=O)C1(CCCCC1)C 240690a_100102657272_100000762840 [0,2,0,0,0,0|2,0,0]=4 2253 B11R1.878 CNC(=O)C1(CCCCC1)C 527a_100102657272_100000762840 [0,2,0,0,0,0|2,0,0]=4 2254 B11R1.878 CNC(=O)C1(CCCCC1)F 11a_106832991635_100000069003 [0,2,0,0,0,0|2,0,0]=4 2255 B11R1.878 CNC(=O)C1(CCCCC1)F 1626a_100102657272_100000069003 [0,2,0,0,0,0|2,0,0]=4 2256 B11R1.878 CNC(=O)C1(CCCCC1)F 240690a_100102657272_100000069003 [0,2,0,0,0,0|2,0,0]=4 2257 B11R1.878 CNC(=O)C1(CCCCC1)F 527a_100102657272_100000069003 [0,2,0,0,0,0|2,0,0]=4 2258 B11R1.878 CNC(=O)C1(CCCCC1)O 240690a_100102657272_100000242742 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.878 O=C(CF)C1(CCCCC1)F 1458a_100000069003_100015361967 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.878 O=C(CF)C1(CCCCC1)O 1458a_100000242742_100015361967 [0,2,0,0,0,0|2,0,0]=4 2261 B11R1.155 CN1CCC[C@H](C1)S(=O)(=O)C 2230a_100025715196_200000210301 [0,2,0,0,0,0|1,0,1]=4 2262 B11R1.155 CN1CCC[C@H](C1)S(=O)(=O)C 269982a_100025715196_200000210301 [0,2,0,0,0,0|1,0,1]=4 2263 B11R1.155 CN1CCC[C@H](C1)S(=O)(=O)C 34a_100025715196_200000210301 [0,2,0,0,0,0|1,0,1]=4 2264 B11R1.155 CS(=O)(=O)[C@@H]1CCCN(C1)[13CH3] 2230a_100025715196_200025704644 [0,2,0,0,0,0|1,0,1]=4 2265 B11R1.155 CS(=O)(=O)[C@@H]1CCCN(C1)[13CH3] 269982a_100025715196_200025704644 [0,2,0,0,0,0|1,0,1]=4 2266 B11R1.155 CS(=O)(=O)[C@@H]1CCCN(C1)[13CH3] 34a_100025715196_200025704644 [0,2,0,0,0,0|1,0,1]=4 2267 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,2,0,0,0,0|2,0,0]=4 2268 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,2,0,0,0,0|2,0,0]=4 2269 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,2,0,0,0,0|2,0,0]=4 2270 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,2,0,0,0,0|1,0,0]=3 2271 B11R1.53 O=C(O)C1CSCCN1CF 269956a_100011346106_100015361967 [0,2,0,0,0,0|2,0,0]=4 2272 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,2,0,0,0,0|2,0,0]=4 2273 B11R1.53 O=C(O)[C@H]1COCCN1CF 269956a_100016993156_100015361967 [0,2,0,0,0,0|2,0,0]=4 2274 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,2,0,0,0,0|1,0,0]=3 2275 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,2,0,0,0,0|2,0,0]=4 2276 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,2,0,0,0,0|2,0,0]=4 2277 B11R1.167 CC(=O)C1CN(CCN1C)C 1458a_100012179483_200000210301 [0,2,0,0,0,0|2,0,0]=4 2278 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,2,0,0,0,0|1,0,0]=3 2279 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,2,0,0,0,0|1,0,0]=3 2280 B11R1.167 CN1CCN(C(C1)C(=O)[13CH3])C 1458a_100012179483_200025704644 [0,2,0,0,0,0|2,0,0]=4 2281 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,2,0,0,0,0|2,0,0]=4 2282 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,2,0,0,0,0|2,0,0]=4 2283 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,2,0,0,0,0|2,0,0]=4 2284 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,2,0,0,0,0|2,0,0]=4 2285 B11R1.266 CC(O)C1CCCN(C1)CF 269982a_100000740858_100015361967 [0,2,0,0,0,0|1,0,1]=4 2286 B11R1.266 CC(O)C1CCCN(C1)CF 34a_100000740858_100015361967 [0,2,0,0,0,0|1,0,1]=4 2287 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [0,2,0,0,0,0|1,0,0]=3 2288 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [0,2,0,0,0,0|1,0,0]=3 2289 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [0,2,0,0,0,0|1,0,0]=3 2290 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [0,2,0,0,0,0|1,0,0]=3 2291 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [0,2,0,0,0,0|1,0,0]=3 2292 B11R1.266 CCN1CCCC(C1)C(C)O 2230a_100000740858_100000210202 [0,2,0,0,0,0|1,0,1]=4 2293 B11R1.266 CCN1CCCC(C1)C(C)O 269982a_100000740858_100000204670 [0,2,0,0,0,0|1,0,1]=4 2294 B11R1.266 CCN1CCCC(C1)C(C)O 34a_100000740858_100000210202 [0,2,0,0,0,0|1,0,1]=4 2295 B11R1.266 CCN1CCOC(C1)C(=O)N 2230a_100000748043_100000210202 [0,2,0,0,0,0|2,0,0]=4 2296 B11R1.266 CCN1CCOC(C1)C(=O)N 34a_100000748043_100000210202 [0,2,0,0,0,0|2,0,0]=4 2297 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,2,0,0,0,0|2,0,0]=4 2298 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,2,0,0,0,0|2,0,0]=4 2299 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,2,0,0,0,0|1,0,0]=3 2300 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,2,0,0,0,0|2,0,0]=4 2301 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,2,0,0,0,0|2,0,0]=4 2302 B11R1.266 NC(=O)C1CCCN(C1)CF 269982a_100000195536_100015361967 [0,2,0,0,0,0|1,0,0]=3 2303 B11R1.266 NC(=O)C1CCCN(C1)CF 34a_100000195536_100015361967 [0,2,0,0,0,0|1,0,0]=3 2304 B11R1.266 NC(=O)C1CN(CCO1)CF 34a_100000748043_100015361967 [0,2,0,0,0,0|2,0,0]=4 2305 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,2,0,0,0,0|2,0,0]=4 2306 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,2,0,0,0,0|2,0,0]=4 2307 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,2,0,0,0,0|1,0,0]=3 2308 B11R1.730 CC(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_200000210301 [0,2,0,0,0,0|2,0,0]=4 2309 B11R1.730 [13CH3]C(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_200025704644 [0,2,0,0,0,0|2,0,0]=4 2310 B11R1.1074 CC(=O)C1(CCCCC1)C#N 1458a_100000745063_200000210301 [0,2,0,0,0,0|2,0,0]=4 2311 B11R1.1074 CNC1(CCCCC1)C(=O)N 2230a_100000746659_200000210301 [0,2,0,0,0,0|2,0,0]=4 2312 B11R1.1074 CNC1(CCCCC1)C(=O)N 34a_100000746659_200000210301 [0,2,0,0,0,0|2,0,0]=4 2313 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,2,0,0,0,0|1,0,0]=3 2314 B11R1.1074 CNC1(CCOCC1)C(=O)O 269956a_100015194771_200000210301 [0,2,0,0,0,0|2,0,0]=4 2315 B11R1.1074 [13CH3]C(=O)C1(CCCCC1)C#N 1458a_100000745063_200025704644 [0,2,0,0,0,0|2,0,0]=4 2316 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 2230a_100000746659_200025704644 [0,2,0,0,0,0|2,0,0]=4 2317 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 34a_100000746659_200025704644 [0,2,0,0,0,0|2,0,0]=4 2318 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,2,0,0,0,0|1,0,0]=3 2319 B11R1.1074 [13CH3]NC1(CCOCC1)C(=O)O 269956a_100015194771_200025704644 [0,2,0,0,0,0|2,0,0]=4 2320 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,1,1,0,0|1,0,1]=4 2321 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,1,1,0,0|1,0,1]=4 2322 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,1,1,0,0|2,0,0]=4 2323 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,1,1,0,0|2,0,0]=4 2324 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,1,1,0,0|2,0,0]=4 2325 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,1,1,0,0|1,0,0]=3 2326 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,1,1,0,0|1,0,0]=3 2327 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,1,1,0,0|1,0,0]=3 2328 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,1,1,0,0|1,0,0]=3 2329 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,1,1,0,0|1,0,0]=3 2330 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,1,1,0,0|1,0,0]=3 2331 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,1,1,0,0|1,0,0]=3 2332 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,1,1,0,0|1,0,0]=3 2333 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,1,1,0,0|2,0,0]=4 2334 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,1,1,0,0|2,0,0]=4 2335 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,1,1,0,0|2,0,0]=4 2336 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,1,1,0,0|2,0,0]=4 2337 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,1,1,0,0|2,0,0]=4 2338 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,1,1,0,0|2,0,0]=4 2339 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,1,1,0,0|2,0,0]=4 2340 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,1,1,0,0|2,0,0]=4 2341 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,1,1,0,0|2,0,0]=4 2342 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,1,1,0,0|2,0,0]=4 2343 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,1,1,0,0|2,0,0]=4 2344 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,1,1,0,0|2,0,0]=4 2345 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,1,1,0,0|2,0,0]=4 2346 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,1,1,0,0|2,0,0]=4 2347 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,1,1,0,0|2,0,0]=4 2348 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,1,1,0,0|1,0,0]=3 2349 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,1,1,0,0|1,0,0]=3 2350 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,1,1,0,0|2,0,0]=4 2351 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,1,1,0,0|2,0,0]=4 2352 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,1,1,0,0|2,0,0]=4 2353 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,1,1,0,0|2,0,0]=4 2354 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,1,1,0,0|2,0,0]=4 2355 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,1,1,0,0|2,0,0]=4 2356 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,1,1,0,0|2,0,0]=4 2357 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,1,1,0,0|2,0,0]=4 2358 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [0,0,1,1,0,0|2,0,0]=4 2359 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [0,0,1,1,0,0|1,0,1]=4 2360 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,1,1,0,0|2,0,0]=4 2361 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,1,1,0,0|2,0,0]=4 2362 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,1,1,0,0|2,0,0]=4 2363 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,1,1,0,0|2,0,0]=4 2364 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,1,1,0,0|2,0,0]=4 2365 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,1,1,0,0|2,0,0]=4 2366 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,1,1,0,0|2,0,0]=4 2367 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,1,1,0,0|2,0,0]=4 2368 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [0,0,1,1,0,0|1,0,1]=4 2369 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [0,0,1,1,0,0|1,0,1]=4 2370 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [0,0,1,1,0,0|1,0,1]=4 2371 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [0,0,1,1,0,0|1,0,1]=4 2372 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,0,1,1,0,0|1,0,1]=4 2373 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,0,1,1,0,0|1,0,1]=4 2374 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,1,1,0,0|2,0,0]=4 2375 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,0,1,1,0,0|1,0,1]=4 2376 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,0,1,1,0,0|1,0,1]=4 2377 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,1,1,0,0|2,0,0]=4 2378 B9R1.84 C=C(C)CCN1CCC1 269982a_100000754969_100000730704 [0,0,1,1,0,0|2,0,0]=4 2379 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,1,1,0,0|1,0,0]=3 2380 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,0,1,1,0,0|2,0,0]=4 2381 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,0,1,1,0,0|1,0,1]=4 2382 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,1,1,0,0|1,0,0]=3 2383 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,1,1,0,0|2,0,0]=4 2384 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,1,1,0,0|2,0,0]=4 2385 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,0,1,1,0,0|2,0,0]=4 2386 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,1,1,0,0|2,0,0]=4 2387 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,1,1,0,0|2,0,0]=4 2388 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,1,1,0,0|2,0,0]=4 2389 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,1,1,0,0|2,0,0]=4 2390 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,0,1,1,0,0|1,0,1]=4 2391 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,1,1,0,0|1,0,0]=3 2392 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,1,1,0,0|2,0,0]=4 2393 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,1,1,0,0|2,0,0]=4 2394 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,1,1,0,0|2,0,0]=4 2395 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,1,1,0,0|2,0,0]=4 2396 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,1,1,0,0|2,0,0]=4 2397 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,1,1,0,0|2,0,0]=4 2398 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,1,1,0,0|1,0,0]=3 2399 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,1,1,0,0|2,0,0]=4 2400 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [0,0,1,1,0,0|1,0,1]=4 2401 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [0,0,1,1,0,0|1,0,1]=4 2402 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,0,1,1,0,0|2,0,0]=4 2403 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,1,1,0,0|2,0,0]=4 2404 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,0,1,1,0,0|1,0,0]=3 2405 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,1,1,0,0|2,0,0]=4 2406 B9R1.95 NC(=O)C1CN(C1)CF 34a_100025753142_100015361967 [0,0,1,1,0,0|2,0,0]=4 2407 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,1,1,0,0|2,0,0]=4 2408 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,1,1,0,0|2,0,0]=4 2409 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,1,1,0,0|2,0,0]=4 2410 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,0,1,1,0,0|2,0,0]=4 2411 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,0,1,1,0,0|2,0,0]=4 2412 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,0,1,1,0,0|2,0,0]=4 2413 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,0,1,1,0,0|2,0,0]=4 2414 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,0,1,1,0,0|2,0,0]=4 2415 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,0,1,1,0,0|2,0,0]=4 2416 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,0,1,1,0,0|2,0,0]=4 2417 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,0,1,1,0,0|2,0,0]=4 2418 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,1,1,0,0|2,0,0]=4 2419 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,1,1,0,0|2,0,0]=4 2420 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,1,1,0,0|2,0,0]=4 2421 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,1,1,0,0|2,0,0]=4 2422 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,1,1,0,0|2,0,0]=4 2423 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,1,1,0,0|2,0,0]=4 2424 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,0,1,1,0,0|2,0,0]=4 2425 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,0,1,1,0,0|2,0,0]=4 2426 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [0,0,1,1,0,0|2,0,0]=4 2427 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [0,0,1,1,0,0|2,0,0]=4 2428 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,0,1,1,0,0|2,0,0]=4 2429 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,0,1,1,0,0|2,0,0]=4 2430 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,0,1,1,0,0|2,0,0]=4 2431 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,0,1,1,0,0|0,0,0]=2 2432 B9R1.179 COCC1(CC1)C(=O)N 34a_100000117830_200000210301 [0,0,1,1,0,0|2,0,0]=4 2433 B9R1.179 COCC1(CC1)C(=O)N 7a_100000117830_200000210301 [0,0,1,1,0,0|2,0,0]=4 2434 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,0,1,1,0,0|0,0,0]=2 2435 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 34a_100000117830_200025704644 [0,0,1,1,0,0|2,0,0]=4 2436 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 7a_100000117830_200025704644 [0,0,1,1,0,0|2,0,0]=4 2437 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [0,0,0,1,0,1|2,0,0]=4 2438 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [0,0,0,1,0,1|2,0,0]=4 2439 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [0,0,0,1,0,1|2,0,0]=4 2440 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [0,0,0,1,0,1|2,0,0]=4 2441 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,1,0,1|2,0,0]=4 2442 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,1,0,1|2,0,0]=4 2443 B11R2.914 O=C(CO)N1CC2CC2C1 240690a_100000741873_100000210174 [0,1,0,1,0,0|2,0,0]=4 2444 B11R2.914 O=C(CO)N1CC2CC2C1 527a_100000741873_100000210174 [0,1,0,1,0,0|2,0,0]=4 2445 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,1,0,1,0,0|2,0,0]=4 2446 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,1,0,1,0,0|2,0,0]=4 2447 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,1,0,1,0,0|2,0,0]=4 2448 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,0,1,0|2,0,0]=4 2449 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,0,1,0|2,0,0]=4 2450 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,0,1,0|2,0,0]=4 2451 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,0,1,0|2,0,0]=4 2452 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,0,1,0|2,0,0]=4 2453 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,0,1,0|2,0,0]=4 2454 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,0,1,0|2,0,0]=4 2455 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,0,1,0|2,0,0]=4 2456 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,0,1,0|2,0,0]=4 2457 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,0,1,0|2,0,0]=4 2458 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,0,1,0|2,0,0]=4 2459 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,0,1,0|2,0,0]=4 2460 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,0,1,0|2,0,0]=4 2461 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,0,1,0|2,0,0]=4 2462 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,0,1,0|2,0,0]=4 2463 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,0,1,0|2,0,0]=4 2464 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,0,1,0|2,0,0]=4 2465 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,0,2,0|1,0,0]=3 2466 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,0,2,0|1,0,0]=3 2467 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,0,2,0|2,0,0]=4 2468 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,0,2,0|2,0,0]=4 2469 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,0,2,0|2,0,0]=4 2470 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,0,2,0|2,0,0]=4 2471 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,0,2,0|2,0,0]=4 2472 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,0,2,0|2,0,0]=4 2473 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,0,2,0|1,0,0]=3 2474 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,0,2,0|2,0,0]=4 2475 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,0,2,0|2,0,0]=4 2476 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,0,1,0,0,1|2,0,0]=4 2477 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,0,1,0,0,1|2,0,0]=4 2478 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,0,1,0,0,1|2,0,0]=4 2479 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,0,1,0,0,1|2,0,0]=4 2480 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,0,1,0,0,1|2,0,0]=4 2481 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,0,1,0,0,1|2,0,0]=4 2482 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,0,1,0,0,1|2,0,0]=4 2483 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,0,1,0,0,1|2,0,0]=4 2484 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,0,1,0,0,1|2,0,0]=4 2485 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,0,1,0,0,1|2,0,0]=4 2486 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,0,1,0,0,1|2,0,0]=4 2487 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,0,1,0,0,1|2,0,0]=4 2488 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [0,0,1,0,0,1|2,0,0]=4 2489 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,0,1,0,0,1|2,0,0]=4 2490 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,0,1,0,0,1|2,0,0]=4 2491 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [1,0,0,0,0,1|2,0,0]=4 2492 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,0,0,0,0,2|2,0,0]=4 2493 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,0,0,0,0,2|2,0,0]=4 2494 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,0,0,0,0,2|2,0,0]=4 2495 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,0,0,0,0,2|2,0,0]=4 2496 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,0,0,0,0,2|2,0,0]=4 2497 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,0,0,0,0,2|2,0,0]=4 2498 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,0,0,0,0,2|2,0,0]=4 2499 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,0,0,0,0,2|2,0,0]=4 2500 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,0,0,0,0,2|2,0,0]=4 2501 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,0,0,0,0,2|2,0,0]=4 2502 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,0,0,0,0,2|2,0,0]=4 2503 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,0,0,0,0,2|2,0,0]=4 2504 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,0,0,0,0,2|2,0,0]=4 2505 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,0,0,0,0,2|2,0,0]=4 2506 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,0,0,0,0,2|2,0,0]=4 2507 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,0,0,0,0,2|2,0,0]=4 2508 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,0,0,0,0,2|2,0,0]=4 2509 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,0,0,0,0,2|2,0,0]=4 2510 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,0,0,0,0,2|2,0,0]=4 2511 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,0,0,0,0,2|2,0,0]=4 2512 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,0,0,0,0,2|2,0,0]=4 2513 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,0,0,0,0,2|2,0,0]=4 2514 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,0,0,0,0,2|2,0,0]=4 2515 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [0,0,0,0,0,2|2,0,0]=4 2516 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,0,0,0,0,2|2,0,0]=4 2517 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,0,0,0,0,2|2,0,0]=4 2518 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,0,0,0,0,2|2,0,0]=4 2519 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [0,0,0,0,0,2|1,0,1]=4 2520 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,0,0,0,0,2|1,0,0]=3 2521 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,0,0,0,0,2|1,0,0]=3 2522 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,0,0,0,0,2|2,0,0]=4 2523 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,0,0,0,0,2|2,0,0]=4 2524 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,0,0,0,0,2|1,0,1]=4 2525 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,0,0,0,0,2|1,0,1]=4 2526 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,0,0,0,0,2|1,0,1]=4 2527 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,0,0,0,0,2|1,0,1]=4 2528 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,0,0,0,0,2|1,0,1]=4 2529 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,0,0,0,0,2|1,0,1]=4 2530 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,0,0,0,0,2|1,0,1]=4 2531 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,0,0,0,0,2|2,0,0]=4 2532 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,0,0,0,0,2|2,0,0]=4 2533 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,0,0,0,0,2|2,0,0]=4 2534 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,0,0,2|2,0,0]=4 2535 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,0,0,2|2,0,0]=4 2536 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,0,0,2|2,0,0]=4 2537 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,0,0,2|2,0,0]=4 2538 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,0,0,2|2,0,0]=4 2539 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,0,0,2|2,0,0]=4 2540 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,0,0,2|2,0,0]=4 2541 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,0,0,0,0,2|2,0,0]=4