0 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.25 C#CC(=O)CCC1OCCO1 1458a_100000211873_100000740749 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.25 C#CC(C)OCC1CCCO1 34a_100000210270_200000035995 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.25 C#C[C@@H](C)OCC1CCCO1 7a_100009815206_100000203698 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.25 C=CC(=O)CCC1OCCO1 1458a_100000185746_100000740749 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.25 C=CC(=O)NCC1OCCO1 1626a_100000036311_100000185746 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.25 C=CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000185746 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.25 C=CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_200121576911 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.25 CC(C#N)OCC1CCCO1 7a_100000210270_100000703298 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.25 CC(CF)OCC1CCCC1 34a_100016041109_100000740388 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.25 CC(CF)OCC1CCCC1 7a_100016041109_100000740388 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.25 CC(CF)OCC1CCCO1 7a_100016041109_100000203698 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.25 CC(CF)OCC1OCCO1 34a_100016041109_100000755774 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.25 CC(CF)OCC1OCCO1 7a_100016041109_100000755774 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.25 CC(CN)OCC1CCCC1 34a_100000210904_100000740388 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.25 CC(CN)OCC1OCCO1 34a_100000210904_100000755774 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.25 CC(CO)NC[C@@H]1CCCO1 2230a_100020590478_100012180447 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.25 CC(CO)NC[C@@H]1CCCO1 34a_100020590478_100012180447 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.25 CC(CO)OCC1CCCC1 34a_100000742336_100012180447 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.25 CC(CO)OCC1CCCC1 7a_100000742336_100012180447 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.25 CC(CO)OCC1CCCO1 34a_100000210270_100012180447 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.25 CC(CO)OCC1CCCO1 7a_100000210270_100012180447 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.25 CC(CO)OCC1COCO1 34a_100011216627_100012180447 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.25 CC(CO)OCC1OCCO1 34a_100000087154_100012180447 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.25 CC(CO)OC[C@H]1CCCN1 34a_100000745186_100012180447 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.25 CC(CO)SCC1CCCO1 62a_100012180447_100000203698 [0,0,0,0,0,0|2,1,1]=4 29 B11R1.25 CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210202 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.25 CCC(=O)CNC1=NCCC1 1458a_100000118783_100000210202 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.25 CCC(=O)COC1CCOC1 34a_100000725409_100000690089 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.25 CCC(=O)COC1CCSC1 7a_100011232664_100000747405 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.25 CCC(=O)CSC1CCOC1 62a_100000747405_100000690089 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,0,0,0,0,0|2,0,0]=2 49 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,0,0,0,0,0|2,0,0]=2 50 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,0,0,0,0,0|2,0,0]=2 51 B11R1.25 CCC(=O)NCC1CCOC1 11a_100000737293_100000210414 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.25 CCC(=O)NCC1CCOC1 1626a_100000737293_100000210414 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.25 CCC(=O)NCC1CCOC1 240690a_100000737293_100000210414 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.25 CCC(=O)NCC1CCOC1 527a_100000737293_100000210414 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.25 CCC(=O)NCC1OCCO1 11a_100000036311_100000210414 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.25 CCC(=O)NCC1OCCO1 1626a_100000036311_100000210414 [0,0,0,0,0,0|2,0,0]=2 57 B11R1.25 CCC(=O)NCC1OCCO1 527a_100000036311_100000210414 [0,0,0,0,0,0|2,0,0]=2 58 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,0,0,0,0,0|1,0,0]=1 59 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,0,0,0,0,0|1,0,0]=1 60 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,0,0,0,0,0|1,0,0]=1 61 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,0,0,0,0,0|1,0,0]=1 62 B11R1.25 CCC(=O)NN=C1CCCC1 4a_100000183195_100000210133 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.25 CCC(=O)NNC1CCOC1 22a_100000690549_100000210414 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.25 CCC(=O)NNC1CCSC1 22a_200000731317_100000210414 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.25 CCC(C)COC1CCCO1 34a_100000085407_100000748023 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000209981_100000740388 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000737975_100000758301 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.25 CCC(C)NCC1CCCC1 269862a_100000209981_100000746403 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.25 CCC(C)NCC1CCCC1 34a_100000737975_100011215416 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.25 CCC(C)NCC1CCCO1 2230a_100000209981_100000203698 [0,0,0,0,0,0|2,0,1]=3 72 B11R1.25 CCC(C)NCC1OCCO1 2230a_100000036311_100000758301 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.25 CCC(C)NCC1OCCO1 2230a_100000209981_100000755774 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.25 CCC(C)NCC1OCCO1 34a_100000036311_100011215416 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.25 CCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000758301 [0,0,0,0,0,0|2,0,1]=3 76 B11R1.25 CCC(C)NC[C@@H]1CCCO1 34a_100020590478_100011215416 [0,0,0,0,0,0|2,0,1]=3 77 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,0,0,0,0,0|2,0,1]=3 78 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,0,0,0,0,0|2,0,1]=3 79 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,0,0,0,0,0|2,0,1]=3 80 B11R1.25 CCC(C)OCC1CCCO1 34a_100000210270_100011215416 [0,0,0,0,0,0|1,0,1]=2 81 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210228_100000203698 [0,0,0,0,0,0|1,0,1]=2 82 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210270_100000758301 [0,0,0,0,0,0|1,0,1]=2 83 B11R1.25 CCC(C)OCC1CCNC1 34a_100000748654_100011215416 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.25 CCC(C)OCC1CCOC1 34a_100000740260_100011215416 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.25 CCC(C)OCC1CCOC1 7a_100000210228_100000702531 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.25 CCC(C)OCC1COCO1 34a_100011216627_100011215416 [0,0,0,0,0,0|2,0,1]=3 87 B11R1.25 CCC(C)OCC1OCCO1 34a_100000087154_100011215416 [0,0,0,0,0,0|2,0,1]=3 88 B11R1.25 CCC(C)OCC1OCCO1 7a_100000210228_100000755774 [0,0,0,0,0,0|2,0,1]=3 89 B11R1.25 CCC(C)OC[C@H]1CCCN1 34a_100000745186_100011215416 [0,0,0,0,0,0|2,0,1]=3 90 B11R1.25 CCC(C)SCC1CCCC1 62a_100000740388_100000758301 [0,0,0,0,0,0|2,1,1]=4 91 B11R1.25 CCC(C)SCC1CCCC1 62a_100000758301_100000740388 [0,0,0,0,0,0|2,1,1]=4 92 B11R1.25 CCC(C)SCC1CCCO1 62a_100000203698_100000758301 [0,0,0,0,0,0|1,1,1]=3 93 B11R1.25 CCC(C)SCC1CCCO1 62a_100000758301_100000203698 [0,0,0,0,0,0|1,1,1]=3 94 B11R1.25 CCC(C)SCC1OCCO1 62a_100000755774_100000758301 [0,0,0,0,0,0|2,1,1]=4 95 B11R1.25 CCC(C)SCC1OCCO1 62a_100000758301_100000755774 [0,0,0,0,0,0|2,1,1]=4 96 B11R1.25 CCC(O)COC1CCCO1 34a_100000085407_100011218378 [0,0,0,0,0,0|2,0,2]=4 97 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.25 CCN(C)CCC1OCCO1 2230a_100000225621_100000740749 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.25 CCN(C)CCC1OCCO1 269982a_100000225621_100000740749 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.25 CC[C@H](C)COC1CCCO1 34a_100000085407_100009816398 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,0,0,0,0,0|2,0,0]=2 107 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,0,0,0,0,0|2,0,0]=2 108 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,0,0,0,0,0|2,0,0]=2 109 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,0,0,0,0,0|2,0,0]=2 110 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.25 CNC(=O)CCN1CCCO1 240690a_100102657272_200015187630 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,0,0,0,0,0|4,0,0]=4 117 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,0,0,0,0,0|4,0,0]=4 118 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,0,0,0,0,0|4,0,0]=4 123 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.25 CNC(=O)COC1CCCO1 34a_100000085407_100000183359 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100000737293_106832991635 [0,0,0,0,0,0|4,0,0]=4 135 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100102657272_100000737293 [0,0,0,0,0,0|4,0,0]=4 136 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100000737293_100102657272 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100102657272_100000737293 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.25 CNC(=O)NCC1CCOC1 512a_100000737293_100102657272 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.25 CNC(=O)NCC1CCOC1 512a_106832991638_100000737293 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.25 CNC(=O)NCC1OCCO1 2708a_100000036311_106832991635 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.25 CNC(=O)NCC1OCCO1 2708a_100102657272_100000036311 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.25 CNC(=O)NCC1OCCO1 273464a_100000036311_100102657272 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.25 CNC(=O)NCC1OCCO1 273464a_100102657272_100000036311 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.25 CNC(=O)NCC1OCCO1 512a_100000036311_100102657272 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_106832991635 [0,0,0,0,0,0|2,0,0]=2 146 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100102657272_100020590478 [0,0,0,0,0,0|2,0,0]=2 147 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100102657272 [0,0,0,0,0,0|2,0,0]=2 148 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100102657272_100020590478 [0,0,0,0,0,0|2,0,0]=2 149 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100102657272 [0,0,0,0,0,0|2,0,0]=2 150 B11R1.25 CNC(=O)NNC1CCCC1 273464a_100102657272_100000737850 [0,0,0,0,0,0|4,0,0]=4 151 B11R1.25 CNC(=O)NNC1CCCC1 512a_106832991638_100000737850 [0,0,0,0,0,0|4,0,0]=4 152 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,0,0,0,0,0|4,0,0]=4 153 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,0,0,0,0,0|4,0,0]=4 155 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,0,0,0,0,0|4,0,0]=4 156 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,0,0,0,0,0|4,0,0]=4 158 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,0,0,0,0,0|4,0,0]=4 160 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,0,0,0,0,0|4,0,0]=4 161 B11R1.25 COC(C)SCC1CCCO1 62a_100000203698_100009879195 [0,0,0,0,0,0|2,1,1]=4 162 B11R1.25 COC(C)SCC1CCCO1 62a_100009879195_100000203698 [0,0,0,0,0,0|2,1,1]=4 163 B11R1.25 C[C@H](CO)NCC1CCCO1 2230a_100000737577_100000203698 [0,0,0,0,0,0|3,0,1]=4 164 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100000203698_100016084084 [0,0,0,0,0,0|2,1,1]=4 165 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100016084084_100000203698 [0,0,0,0,0,0|2,1,1]=4 166 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,0,0,0,0,0|2,0,0]=2 168 B11R1.25 O=C(CF)CCC1OCCO1 1458a_100000082924_100015361967 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.25 O=C(CF)CCN1CCCO1 1458a_200015187630_100015361967 [0,0,0,0,0,0|3,0,0]=3 171 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,0,0,0,0,0|3,0,0]=3 173 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,0,0,0,0,0|4,0,0]=4 175 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.25 O=C(CO)NCC1CCOC1 240690a_100000737293_100000210174 [0,0,0,0,0,0|4,0,0]=4 178 B11R1.25 O=C(CO)NCC1CCOC1 527a_100000737293_100000210174 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.25 O=C(CO)NCC1OCCO1 527a_100000036311_100000210174 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 240690a_100020590478_100000210174 [0,0,0,0,0,0|2,0,0]=2 181 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 527a_100020590478_100000210174 [0,0,0,0,0,0|2,0,0]=2 182 B11R1.25 O=C(CO)NNC1CCCC1 22a_100000737850_100000210174 [0,0,0,0,0,0|4,0,0]=4 183 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.21 BrCCOCC1OCCO1 34a_100000211926_100000755774 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.21 C#CCOCC1CCCO1 34a_100000210270_100000184674 [1,0,0,0,0,0|0,0,3]=4 186 B10R1.21 C#CCOCC1CCCO1 7a_100000210270_100000038162 [1,0,0,0,0,0|0,0,3]=4 187 B10R1.21 C/C=C/COC1CCCO1 34a_100000085407_100102629194 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [1,0,0,0,0,0|0,0,3]=4 189 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [1,0,0,0,0,0|0,0,3]=4 190 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.21 CC=CCOC1CCCO1 34a_100000085407_100000070051 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.21 CCC=NNC1CCCC1 4a_100000737850_100000210100 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [1,0,0,0,0,0|2,0,1]=4 197 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [1,0,0,0,0,0|2,0,1]=4 198 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [1,0,0,0,0,0|2,0,1]=4 199 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,0,0,0,0,0|1,0,1]=3 201 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,0,0,0,0,0|1,0,1]=3 202 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,0,0,0,0,0|1,0,1]=3 203 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,0,0,0,0,0|1,0,1]=3 204 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,0,0,0,0,0|1,0,1]=3 205 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,0,0,0,0,0|0,0,1]=2 206 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,0,0,0,0,0|0,0,1]=2 207 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [1,0,0,0,0,0|2,0,1]=4 209 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [1,0,0,0,0,0|2,0,1]=4 210 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [1,0,0,0,0,0|1,0,1]=3 211 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [1,0,0,0,0,0|1,0,1]=3 212 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [1,0,0,0,0,0|1,0,1]=3 213 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [1,0,0,0,0,0|1,0,1]=3 214 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [1,0,0,0,0,0|1,1,1]=4 215 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [1,0,0,0,0,0|1,1,1]=4 216 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,0,0,0,0,0|0,1,1]=3 217 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,0,0,0,0,0|0,1,1]=3 218 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [1,0,0,0,0,0|1,1,1]=4 219 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [1,0,0,0,0,0|1,1,1]=4 220 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [1,0,0,0,0,0|1,1,1]=4 235 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [1,0,0,0,0,0|1,1,1]=4 236 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [1,0,0,0,0,0|1,0,1]=3 240 B10R1.21 CSCOCC1COCO1 34a_100011216627_100011218213 [1,0,0,0,0,0|2,0,1]=4 241 B10R1.21 CSCOCC1OCCO1 34a_100000087154_100011218213 [1,0,0,0,0,0|2,0,1]=4 242 B10R1.21 CSCOC[C@H]1CCCN1 34a_100000745186_100011218213 [1,0,0,0,0,0|2,0,1]=4 243 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [1,0,0,0,0,0|1,1,1]=4 244 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [1,0,0,0,0,0|1,1,1]=4 245 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [1,0,0,0,0,0|2,0,1]=4 246 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [1,0,0,0,0,0|2,0,1]=4 248 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [1,0,0,0,0,0|2,0,1]=4 249 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [1,0,0,0,0,0|1,0,1]=3 250 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [1,0,0,0,0,0|1,0,1]=3 251 B10R1.21 FCCOCC1COCO1 34a_100011216627_100011217306 [1,0,0,0,0,0|2,0,1]=4 252 B10R1.21 FCCOCC1OCCO1 34a_100000087154_100011217306 [1,0,0,0,0,0|2,0,1]=4 253 B10R1.21 FCCOC[C@H]1CCCN1 34a_100000745186_100011217306 [1,0,0,0,0,0|2,0,1]=4 254 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [1,0,0,0,0,0|1,1,1]=4 255 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [1,0,0,0,0,0|1,1,1]=4 256 B10R1.21 N#CCOCC1CCCO1 7a_100000210270_100011215382 [1,0,0,0,0,0|1,0,2]=4 257 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [1,0,0,0,0,0|2,0,1]=4 258 B10R1.21 NCCOCC1OCCO1 34a_100000210304_100000755774 [1,0,0,0,0,0|2,0,1]=4 259 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [1,0,0,0,0,0|1,0,2]=4 260 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [1,0,0,0,0,0|1,0,2]=4 261 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [1,0,0,0,0,0|2,0,1]=4 263 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [1,0,0,0,0,0|2,0,1]=4 264 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [1,0,0,0,0,0|2,0,1]=4 265 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [1,0,0,0,0,0|2,0,1]=4 266 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [1,0,0,0,0,0|1,0,1]=3 267 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [1,0,0,0,0,0|1,0,1]=3 268 B10R1.21 OCCOCC1COCO1 34a_100011216627_100000211926 [1,0,0,0,0,0|2,0,1]=4 269 B10R1.21 OCCOCC1OCCO1 34a_100000087154_100000211926 [1,0,0,0,0,0|2,0,1]=4 270 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [1,0,0,0,0,0|2,0,1]=4 271 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [1,0,0,0,0,0|1,1,1]=4 272 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [1,0,0,0,0,0|1,1,1]=4 273 B10R1.66 C=C(C)COC1CCCO1 34a_100000085407_100000748629 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,0,0,0|2,0,0]=3 275 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,0,0,0|1,0,0]=2 277 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,0,0,0|2,0,0]=3 286 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,0,0,0|2,0,0]=3 287 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,0,0,0|2,0,0]=3 288 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.66 CC(=O)NCC1OCCO1 11a_100000036311_100015343762 [1,0,0,0,0,0|2,0,0]=3 294 B10R1.66 CC(=O)NCC1OCCO1 1626a_100000036311_100015343762 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.66 CC(=O)NCC1OCCO1 527a_100000036311_100103153847 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,0,0,0|1,0,0]=2 297 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,0,0,0|1,0,0]=2 298 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,0,0,0|1,0,0]=2 299 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,0,0,0|1,0,0]=2 300 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [1,0,0,0,0,0|2,0,1]=4 304 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [1,0,0,0,0,0|2,0,1]=4 305 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [1,0,0,0,0,0|2,0,1]=4 306 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [1,0,0,0,0,0|2,0,1]=4 307 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [1,0,0,0,0,0|2,0,1]=4 308 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [1,0,0,0,0,0|2,0,1]=4 309 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [1,0,0,0,0,0|1,0,1]=3 310 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [1,0,0,0,0,0|1,0,1]=3 311 B10R1.66 CC(C)OCC1COCO1 34a_100011216627_100000210206 [1,0,0,0,0,0|2,0,1]=4 312 B10R1.66 CC(C)OCC1OCCO1 34a_100000087154_100000210206 [1,0,0,0,0,0|2,0,1]=4 313 B10R1.66 CC(C)OCC1OCCO1 34a_100000212225_100000755774 [1,0,0,0,0,0|2,0,1]=4 314 B10R1.66 CC(C)OC[C@H]1CCCN1 34a_100000745186_100000210206 [1,0,0,0,0,0|2,0,1]=4 315 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [1,0,0,0,0,0|1,1,1]=4 316 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [1,0,0,0,0,0|1,1,1]=4 317 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,0,0,0|1,0,0]=2 321 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [1,0,0,0,0,0|2,0,0]=3 324 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,0,0,0|3,0,0]=4 325 B12R1.15 C=CC(=O)NC(C)C1CCCO1 1626a_100025754208_100000185746 [0,1,0,0,0,0|1,0,2]=4 326 B12R1.15 C=CC(=O)NC(C)C1CCCO1 240690a_100025754208_200121576911 [0,1,0,0,0,0|1,0,2]=4 327 B12R1.15 CC(NC(=O)CO)C1CCCC1 240690a_100015185923_100000210174 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.15 CC(NC(=O)CO)C1CCCC1 527a_100015185923_100000210174 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.15 CC(NC(=O)CO)C1CCCO1 240690a_100025754208_100000210174 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.15 CC(NC(=O)CO)C1CCCO1 527a_100025754208_100000210174 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.15 CCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747405 [0,1,0,0,0,0|2,0,1]=4 332 B12R1.15 CCC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000747405 [0,1,0,0,0,0|1,1,1]=4 333 B12R1.15 CCC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747405 [0,1,0,0,0,0|1,0,1]=3 334 B12R1.15 CCC(=O)CC(C)N1CCCC1 1458a_100000210414_200015187269 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.15 CCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000210202 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.15 CCC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747405 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.15 CCC(=O)NC(C)C1CCCC1 11a_100015185923_100000210414 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.15 CCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000210414 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.15 CCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000210414 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.15 CCC(=O)NC(C)C1CCCC1 527a_100015185923_100000210414 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.15 CCC(=O)NC(C)C1CCCO1 11a_100025754208_100000210414 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.15 CCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000210414 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.15 CCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000210414 [0,1,0,0,0,0|1,0,0]=2 344 B12R1.15 CCC(=O)NC(C)C1CCCO1 527a_100025754208_100000210414 [0,1,0,0,0,0|1,0,0]=2 345 B12R1.15 CCC(C)NC(C)C1CCCO1 2230a_100025754208_100000758301 [0,1,0,0,0,0|2,0,1]=4 346 B12R1.15 CCC(C)NC(C)C1CCCO1 34a_100025754208_100011215416 [0,1,0,0,0,0|2,0,1]=4 347 B12R1.15 CCC(C)OC(C)C1CCCC1 34a_100011216366_100011215416 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.15 CCC(C)OC(C)C1CCCC1 7a_100011216366_100000758301 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.15 CNC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000183359 [0,1,0,0,0,0|2,0,1]=4 350 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100015185923_106832991635 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100102657272_100015185923 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100015185923_100102657272 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100102657272_100015185923 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_100015185923_100102657272 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_106832991638_100015185923 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.15 CNC(=O)NC(C)C1CCCO1 2708a_100025754208_106832991635 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.15 CNC(=O)NC(C)C1CCCO1 2708a_100102657272_100025754208 [0,1,0,0,0,0|2,0,0]=3 358 B12R1.15 CNC(=O)NC(C)C1CCCO1 273464a_100025754208_100102657272 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.15 CNC(=O)NC(C)C1CCCO1 273464a_100102657272_100025754208 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.15 CNC(=O)NC(C)C1CCCO1 512a_100025754208_100102657272 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.15 CNC(=O)NC(C)C1CCCO1 512a_106832991638_100025754208 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.15 COC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747449 [0,1,0,0,0,0|2,0,1]=4 363 B12R1.26 CCC(=O)CCC1COS(=O)O1 1458a_100000210414_100009840081 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.26 CCC(=O)NCC1CCN(C1)C 240690a_100000742581_100000210414 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.26 CCC(=O)NCC1CCN(C1)C 527a_100000742581_100000210414 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000210414 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000210414 [0,1,0,0,0,0|2,0,1]=4 368 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210414 [0,1,0,0,0,0|2,0,1]=4 369 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210414 [0,1,0,0,0,0|2,0,1]=4 370 B12R1.26 CCC(C)OC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100011215416 [0,1,0,0,0,0|2,0,1]=4 371 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100000211120_100000184674 [0,1,0,0,0,0|2,0,1]=4 372 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100011220946_100000760354 [0,1,0,0,0,0|2,0,1]=4 373 B12R1.51 C#CCC(=O)CCC1CCCO1 1458a_100011247709_100000184674 [0,1,0,0,0,0|1,0,1]=3 374 B12R1.51 C#CCC(=O)CCC1OCCO1 1458a_100000082924_100000184674 [0,1,0,0,0,0|2,0,1]=4 375 B12R1.51 C#CCC(=O)CCC1OCCO1 1458a_100011220946_100000740749 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.51 C#CCC(=O)CCN1CCCO1 1458a_200015187630_100000184674 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.51 C#CCC(=O)NCC1CCCC1 1626a_100000737975_100011220946 [0,1,0,0,0,0|2,0,1]=4 378 B12R1.51 C#CCC(=O)NCC1CCCC1 527a_100000737975_100011220946 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.51 C#CCC(=O)NCC1OCCO1 1626a_100000036311_100011220946 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.51 C#CCC(=O)NCC1OCCO1 527a_100000036311_100011220946 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.51 C#CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100011220946 [0,1,0,0,0,0|1,0,1]=3 382 B12R1.51 C#CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100011220946 [0,1,0,0,0,0|1,0,1]=3 383 B12R1.51 C#CCC(C)OCC1CCCO1 7a_100000685586_100000203698 [0,1,0,0,0,0|1,0,2]=4 384 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000210193_100000760354 [0,1,0,0,0,0|2,0,1]=4 385 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000211120_100000210623 [0,1,0,0,0,0|2,0,1]=4 386 B12R1.51 C=CCC(=O)CCC1CCCO1 1458a_100011247709_100000210623 [0,1,0,0,0,0|1,0,1]=3 387 B12R1.51 C=CCC(=O)CCC1OCCO1 1458a_100000082924_100000210623 [0,1,0,0,0,0|2,0,1]=4 388 B12R1.51 C=CCC(=O)CCC1OCCO1 1458a_100000210193_100000740749 [0,1,0,0,0,0|2,0,1]=4 389 B12R1.51 C=CCC(=O)CCN1CCCO1 1458a_200015187630_100000210623 [0,1,0,0,0,0|2,0,1]=4 390 B12R1.51 C=CCC(=O)NCC1CCCC1 11a_100000737975_100000210193 [0,1,0,0,0,0|2,0,1]=4 391 B12R1.51 C=CCC(=O)NCC1CCCC1 1626a_100000737975_100000210193 [0,1,0,0,0,0|2,0,1]=4 392 B12R1.51 C=CCC(=O)NCC1CCCC1 240690a_100000737975_100000210193 [0,1,0,0,0,0|2,0,1]=4 393 B12R1.51 C=CCC(=O)NCC1CCCC1 527a_100000737975_100000210193 [0,1,0,0,0,0|2,0,1]=4 394 B12R1.51 C=CCC(=O)NCC1OCCO1 11a_100000036311_100000210193 [0,1,0,0,0,0|2,0,1]=4 395 B12R1.51 C=CCC(=O)NCC1OCCO1 1626a_100000036311_100000210193 [0,1,0,0,0,0|2,0,1]=4 396 B12R1.51 C=CCC(=O)NCC1OCCO1 527a_100000036311_100000210193 [0,1,0,0,0,0|2,0,1]=4 397 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210193 [0,1,0,0,0,0|1,0,1]=3 398 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210193 [0,1,0,0,0,0|1,0,1]=3 399 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210193 [0,1,0,0,0,0|1,0,1]=3 400 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210193 [0,1,0,0,0,0|1,0,1]=3 401 B12R1.51 C=CC[C@@H](C)OCC1CCCO1 7a_100000731007_100000203698 [0,1,0,0,0,0|1,0,2]=4 402 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [0,1,0,0,0,0|2,0,1]=4 403 B12R1.51 CC#CC(=O)CCC1OCCO1 1458a_100000763181_100000740749 [0,1,0,0,0,0|2,0,1]=4 404 B12R1.51 CC(CC#N)OCC1CCCO1 7a_100000210270_100009813641 [0,1,0,0,0,0|1,0,2]=4 405 B12R1.51 CC(CCBr)OCC1CCCC1 34a_100012276601_100000740388 [0,1,0,0,0,0|2,0,1]=4 406 B12R1.51 CC(CCBr)OCC1OCCO1 34a_100012276601_100000755774 [0,1,0,0,0,0|2,0,1]=4 407 B12R1.51 CC(CCO)NC[C@@H]1CCCO1 2230a_100020590478_100009893172 [0,1,0,0,0,0|2,0,1]=4 408 B12R1.51 CC(CCO)NC[C@@H]1CCCO1 34a_100020590478_100009893172 [0,1,0,0,0,0|2,0,1]=4 409 B12R1.51 CC(CCO)OCC1CCCC1 34a_100000742336_100009893172 [0,1,0,0,0,0|2,0,1]=4 410 B12R1.51 CC(CCO)OCC1CCCC1 7a_100000742336_100009893172 [0,1,0,0,0,0|2,0,1]=4 411 B12R1.51 CC(CCO)OCC1CCCO1 34a_100000210270_100009893172 [0,1,0,0,0,0|1,0,1]=3 412 B12R1.51 CC(CCO)OCC1CCCO1 7a_100000210270_100009893172 [0,1,0,0,0,0|1,0,1]=3 413 B12R1.51 CC(CCO)OCC1COCO1 34a_100011216627_100009893172 [0,1,0,0,0,0|2,0,1]=4 414 B12R1.51 CC(CCO)OCC1OCCO1 34a_100000087154_100009893172 [0,1,0,0,0,0|2,0,1]=4 415 B12R1.51 CC(CCO)OC[C@H]1CCCN1 34a_100000745186_100009893172 [0,1,0,0,0,0|2,0,1]=4 416 B12R1.51 CC(CCO)SCC1CCCO1 62a_100000203698_100009893172 [0,1,0,0,0,0|1,1,1]=4 417 B12R1.51 CC(CCO)SCC1CCCO1 62a_100009893172_100000203698 [0,1,0,0,0,0|1,1,1]=4 418 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [0,1,0,0,0,0|2,0,1]=4 419 B12R1.51 CC=CC(=O)CCC1OCCO1 1458a_100000210699_100000740749 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.51 CC=CC(=O)NCC1CCCC1 11a_100000737975_100000210699 [0,1,0,0,0,0|2,0,1]=4 421 B12R1.51 CC=CC(=O)NCC1CCCC1 1626a_100000737975_100000210699 [0,1,0,0,0,0|2,0,1]=4 422 B12R1.51 CC=CC(=O)NCC1CCCC1 240690a_100000737975_100000210699 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.51 CC=CC(=O)NCC1OCCO1 11a_100000036311_100000210699 [0,1,0,0,0,0|2,0,1]=4 424 B12R1.51 CC=CC(=O)NCC1OCCO1 1626a_100000036311_100000210699 [0,1,0,0,0,0|2,0,1]=4 425 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210699 [0,1,0,0,0,0|1,0,1]=3 426 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210699 [0,1,0,0,0,0|1,0,1]=3 427 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210699 [0,1,0,0,0,0|1,0,1]=3 428 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,1,0,0,0,0|1,0,0]=2 431 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.51 CCCC(=O)NCC1CCOC1 11a_100000737293_100000211992 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.51 CCCC(=O)NCC1CCOC1 1626a_100000737293_100000211992 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.51 CCCC(=O)NCC1CCOC1 240690a_100000737293_100000211992 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.51 CCCC(=O)NCC1CCOC1 527a_100000737293_100000211992 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.51 CCCC(=O)NCC1OCCO1 11a_100000036311_100000211992 [0,1,0,0,0,0|2,0,0]=3 450 B12R1.51 CCCC(=O)NCC1OCCO1 1626a_100000036311_100000211992 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.51 CCCC(=O)NCC1OCCO1 527a_100000036311_100000211992 [0,1,0,0,0,0|2,0,0]=3 452 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,1,0,0,0,0|1,0,0]=2 453 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,1,0,0,0,0|1,0,0]=2 454 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,1,0,0,0,0|1,0,0]=2 455 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,1,0,0,0,0|1,0,0]=2 456 B12R1.51 CCCC(=O)NNC1CCCC1 22a_100000737850_100000211992 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,1,0,0,0,0|2,0,0]=3 458 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,1,0,0,0,0|2,0,0]=3 459 B12R1.51 CCCC(=O)OCN1CCSC1 2230a_100011215254_100000034017 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.51 CCCC(=O)OCN1CCSC1 269982a_100011215254_100000034017 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.51 CCCC(C)NCC1CCCO1 2230a_100000741246_100000203698 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000766640 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000211909 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 34a_100020590478_100000766640 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000742336_100000766640 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000764384_100000740388 [0,1,0,0,0,0|2,0,1]=4 467 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000742336_100000766640 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000764384_100000740388 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.51 CCCC(C)OCC1CCCO1 34a_100000210270_100000766640 [0,1,0,0,0,0|1,0,1]=3 470 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000210270_100000766640 [0,1,0,0,0,0|1,0,1]=3 471 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000764384_100000203698 [0,1,0,0,0,0|1,0,1]=3 472 B12R1.51 CCCC(C)OCC1COCO1 34a_100011216627_100000766640 [0,1,0,0,0,0|2,0,1]=4 473 B12R1.51 CCCC(C)OCC1OCCO1 34a_100000087154_100000766640 [0,1,0,0,0,0|2,0,1]=4 474 B12R1.51 CCCC(C)OCC1OCCO1 34a_100000764384_100000755774 [0,1,0,0,0,0|2,0,1]=4 475 B12R1.51 CCCC(C)OCC1OCCO1 7a_100000764384_100000755774 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.51 CCCC(C)OC[C@H]1CCCN1 34a_100000745186_100000766640 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.51 CCCC(C)SCC1CCCO1 62a_100000203698_100000766640 [0,1,0,0,0,0|1,1,1]=4 478 B12R1.51 CCCC(C)SCC1CCCO1 62a_100000766640_100000203698 [0,1,0,0,0,0|1,1,1]=4 479 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,1,0,0,0,0|2,0,0]=3 481 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,1,0,0,0,0|1,0,0]=2 483 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,1,0,0,0,0|1,0,0]=2 484 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,1,0,0,0,0|1,0,0]=2 485 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.51 CCNC(=O)CCN1CCCO1 240690a_100015525214_200015187630 [0,1,0,0,0,0|2,0,0]=3 489 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.51 CCNC(=O)COC1CCCO1 34a_100000085407_100000183381 [0,1,0,0,0,0|2,0,0]=3 499 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100000737293_100015525214 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100015525214_100000737293 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100000737293_100015525214 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100015525214_100000737293 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100000737293_100015525214 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100015525214_100000737293 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.51 CCNC(=O)NCC1OCCO1 2708a_100000036311_100015525214 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.51 CCNC(=O)NCC1OCCO1 2708a_100015525214_100000036311 [0,1,0,0,0,0|2,0,0]=3 515 B12R1.51 CCNC(=O)NCC1OCCO1 273464a_100000036311_100015525214 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.51 CCNC(=O)NCC1OCCO1 273464a_100015525214_100000036311 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.51 CCNC(=O)NCC1OCCO1 512a_100000036311_100015525214 [0,1,0,0,0,0|2,0,0]=3 518 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100015525214_100020590478 [0,1,0,0,0,0|1,0,0]=2 519 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100015525214 [0,1,0,0,0,0|1,0,0]=2 520 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100015525214_100020590478 [0,1,0,0,0,0|1,0,0]=2 521 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100015525214 [0,1,0,0,0,0|1,0,0]=2 522 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100015525214 [0,1,0,0,0,0|1,0,0]=2 523 B12R1.51 CCNC(=O)NNC1CCCC1 273464a_100015525214_100000737850 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.51 CCNC(=O)NNC1CCCC1 512a_100015525214_100000737850 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.51 CNCC(=O)NCC1CCCO1 2230a_106832991635_100000182893 [0,1,0,0,0,0|1,0,0]=2 535 B12R1.51 CNCC(=O)NCC1CCCO1 7a_106832991635_100000182893 [0,1,0,0,0,0|1,0,0]=2 536 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.51 CNNC(=O)CCC1CCCO1 22a_100016993582_100011247709 [0,1,0,0,0,0|2,0,0]=3 538 B12R1.51 CNNC(=O)CCC1OCCO1 22a_100016993582_100000082924 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.51 CNNC(=O)NCC1CCCC1 273464a_100000737975_100016993582 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100000737975_100016993582 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100016993582_100000737975 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.51 CNNC(=O)NCC1OCCO1 273464a_100000036311_100016993582 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.51 CNNC(=O)NCC1OCCO1 512a_100000036311_100016993582 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.51 CNNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100016993582 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.51 CNNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100016993582 [0,1,0,0,0,0|2,0,0]=3 546 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,1,0,0,0,0|2,0,0]=3 547 B12R1.51 COCC(=O)CCC1OCCO1 1458a_100000210968_100000740749 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.51 COCC(=O)CCN1CCCC1 1458a_100000210968_100000004467 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,1,0,0,0,0|2,0,0]=3 552 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.51 COCC(=O)NCC1CCOC1 11a_100000737293_100000210968 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.51 COCC(=O)NCC1CCOC1 1626a_100000737293_100000210968 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.51 COCC(=O)NCC1CCOC1 240690a_100000737293_100000210968 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.51 COCC(=O)NCC1CCOC1 527a_100000737293_100000210968 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.51 COCC(=O)NCC1OCCO1 11a_100000036311_100000210968 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.51 COCC(=O)NCC1OCCO1 1626a_100000036311_100000210968 [0,1,0,0,0,0|2,0,0]=3 559 B12R1.51 COCC(=O)NCC1OCCO1 527a_100000036311_100000210968 [0,1,0,0,0,0|2,0,0]=3 560 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210968 [0,1,0,0,0,0|1,0,0]=2 561 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210968 [0,1,0,0,0,0|1,0,0]=2 562 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210968 [0,1,0,0,0,0|1,0,0]=2 563 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210968 [0,1,0,0,0,0|1,0,0]=2 564 B12R1.51 COCC(=O)NNC1CCCC1 22a_100000737850_100000210968 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.51 COCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000765312 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.51 COCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000749346 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.51 COCC(C)NC[C@@H]1CCCO1 34a_100020590478_100000765312 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.51 COCC(C)OCC1CCCC1 34a_100000742336_100000765312 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.51 COCC(C)OCC1CCCC1 7a_100000742336_100000765312 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.51 COCC(C)OCC1CCCO1 34a_100000210270_100000765312 [0,1,0,0,0,0|1,0,1]=3 571 B12R1.51 COCC(C)OCC1CCCO1 7a_100000210270_100000765312 [0,1,0,0,0,0|1,0,1]=3 572 B12R1.51 COCC(C)OCC1COCO1 34a_100011216627_100000765312 [0,1,0,0,0,0|2,0,1]=4 573 B12R1.51 COCC(C)OCC1OCCO1 34a_100000087154_100000765312 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.51 COCC(C)OC[C@H]1CCCN1 34a_100000745186_100000765312 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.51 COCC(C)SCC1CCCO1 62a_100000203698_100000765312 [0,1,0,0,0,0|1,1,1]=4 576 B12R1.51 COCC(C)SCC1CCCO1 62a_100000765312_100000203698 [0,1,0,0,0,0|1,1,1]=4 577 B12R1.51 COC[C@@H](C)NCC1CCCO1 2230a_100000764878_100000203698 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.51 COC[C@@H](C)OCC1CCCC1 34a_100011934205_100000740388 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.51 COC[C@@H](C)OCC1OCCO1 34a_100011934205_100000755774 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,1,0,0,0,0|2,0,0]=3 581 B12R1.51 CSCC(=O)CCC1OCCO1 1458a_100000184570_100000740749 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.51 CSCC(=O)CCN1CCCC1 1458a_100000184570_100000004467 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.51 CSCC(=O)NCC1CCCC1 11a_100000737975_100000184570 [0,1,0,0,0,0|2,0,0]=3 584 B12R1.51 CSCC(=O)NCC1CCCC1 1626a_100000737975_100000184570 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.51 CSCC(=O)NCC1CCCC1 240690a_100000737975_100000184570 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.51 CSCC(=O)NCC1CCCC1 527a_100000737975_100000184570 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.51 CSCC(=O)NCC1CCCO1 62a_100000182893_200000210301 [0,1,0,0,0,0|1,0,0]=2 588 B12R1.51 CSCC(=O)NCC1CCCO1 62a_200000210301_100000182893 [0,1,0,0,0,0|1,0,0]=2 589 B12R1.51 CSCC(=O)NCC1CCOC1 11a_100000737293_100000184570 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.51 CSCC(=O)NCC1CCOC1 1626a_100000737293_100000184570 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.51 CSCC(=O)NCC1CCOC1 240690a_100000737293_100000184570 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.51 CSCC(=O)NCC1CCOC1 527a_100000737293_100000184570 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.51 CSCC(=O)NCC1OCCO1 11a_100000036311_100000184570 [0,1,0,0,0,0|2,0,0]=3 594 B12R1.51 CSCC(=O)NCC1OCCO1 1626a_100000036311_100000184570 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.51 CSCC(=O)NCC1OCCO1 527a_100000036311_100000184570 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000184570 [0,1,0,0,0,0|1,0,0]=2 597 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000184570 [0,1,0,0,0,0|1,0,0]=2 598 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000184570 [0,1,0,0,0,0|1,0,0]=2 599 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000184570 [0,1,0,0,0,0|1,0,0]=2 600 B12R1.51 CSCC(=O)NNC1CCCC1 22a_100000737850_100000184570 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.51 CSCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100011216314 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.51 C[C@H](CCO)NCC1CCCO1 2230a_100000706166_100000203698 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100000211120_100011214920 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100051588842_100000760354 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.51 N#CCC(=O)CCC1CCCO1 1458a_100011247709_100011214920 [0,1,0,0,0,0|1,0,1]=3 606 B12R1.51 N#CCC(=O)CCC1OCCO1 1458a_100000082924_100011214920 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.51 N#CCC(=O)CCC1OCCO1 1458a_100051588842_100000740749 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.51 N#CCC(=O)CCN1CCCO1 1458a_200015187630_100011214920 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.51 N#CCC(=O)NCC1CCCC1 1626a_100000737975_100051588842 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.51 N#CCC(=O)NCC1CCCC1 240690a_100000737975_100051588842 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.51 N#CCC(=O)NCC1OCCO1 1626a_100000036311_100051588842 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.51 N#CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100051588842 [0,1,0,0,0,0|1,0,1]=3 613 B12R1.51 N#CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100051588842 [0,1,0,0,0,0|1,0,1]=3 614 B12R1.51 O=C(C=CBr)NC[C@@H]1CCCO1 1626a_100020590478_100016273825 [0,1,0,0,0,0|1,0,2]=4 615 B12R1.51 O=C(C=CBr)NC[C@@H]1CCCO1 240690a_100020590478_100016273825 [0,1,0,0,0,0|1,0,2]=4 616 B12R1.51 O=C(C=CCl)NC[C@@H]1CCCO1 11a_100020590478_200016279998 [0,1,0,0,0,0|1,0,2]=4 617 B12R1.51 O=C(C=CCl)NC[C@@H]1CCCO1 1626a_100020590478_200016279998 [0,1,0,0,0,0|1,0,2]=4 618 B12R1.51 O=C(C=CCl)NC[C@@H]1CCCO1 240690a_100020590478_200016279998 [0,1,0,0,0,0|1,0,2]=4 619 B12R1.51 O=C(C=CI)NC[C@@H]1CCCO1 1626a_100020590478_100016256311 [0,1,0,0,0,0|1,0,2]=4 620 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,1,0,0,0,0|2,0,0]=3 621 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,1,0,0,0,0|1,0,0]=2 622 B12R1.51 O=C(CCF)CCC1OCCO1 1458a_100000082924_100011217306 [0,1,0,0,0,0|2,0,0]=3 623 B12R1.51 O=C(CCF)CCN1CCCC1 1458a_100000738983_100011217306 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.51 O=C(CCF)CCN1CCCO1 1458a_200015187630_100011217306 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.51 O=C(CCF)COC1CCCC1 1458a_100000741352_100011217306 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,1,0,0,0,0|1,0,0]=2 629 B12R1.51 O=C(CCO)CCC1OCCO1 1458a_100000082924_100000211926 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.51 O=C(CCO)CCC1OCCO1 1458a_100011216618_100000740749 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100000738983_100000211926 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100011216618_100000004467 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.51 O=C(CCO)CCN1CCCO1 1458a_200015187630_100000211926 [0,1,0,0,0,0|2,0,0]=3 634 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,1,0,0,0,0|2,0,0]=3 636 B12R1.51 O=C(CCO)NCC1CCOC1 240690a_100000737293_100011216618 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 240690a_100020590478_100011216618 [0,1,0,0,0,0|1,0,0]=2 638 B12R1.51 O=C(CCO)NNC1CCCC1 22a_100000737850_100011216618 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.51 O=C(COC1CCCO1)NCO 34a_100000085407_100000185155 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_100000182893_200025704644 [0,1,0,0,0,0|1,0,0]=2 641 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_200025704644_100000182893 [0,1,0,0,0,0|1,0,0]=2 642 B12R1.108 C/C=C(\C)/C(=O)CC1CCCO1 1458a_100020587367_100000203698 [0,1,0,0,0,0|2,0,1]=4 643 B12R1.108 C=CC(=O)N(C)CC1CCCO1 1626a_100102946541_100000185746 [0,1,0,0,0,0|1,0,2]=4 644 B12R1.108 C=CC(=O)N(C)CC1CCCO1 240690a_100102946541_200121576911 [0,1,0,0,0,0|1,0,2]=4 645 B12R1.108 CCC(=O)C(C)NC1CCCC1 2230a_100000211070_100000742827 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.108 CCC(=O)C(C)OC1CCCC1 7a_100000210269_100000742827 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.108 CCC(=O)C(C)SC1CCCC1 62a_100000742827_100000179811 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.108 CCC(=O)C(C)SC1CCCC1 62a_100011217020_100000742827 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.108 CCC(=O)N(C)CC1CCCO1 11a_100102946541_100000210414 [0,1,0,0,0,0|1,0,0]=2 650 B12R1.108 CCC(=O)N(C)CC1CCCO1 1626a_100102946541_100000210414 [0,1,0,0,0,0|1,0,0]=2 651 B12R1.108 CCC(=O)N(C)CC1CCCO1 240690a_100102946541_100000210414 [0,1,0,0,0,0|1,0,0]=2 652 B12R1.108 CCC(=O)N(C)CC1CCCO1 527a_100102946541_100000210414 [0,1,0,0,0,0|1,0,0]=2 653 B12R1.108 CCC(=O)N(C)CC1CCOC1 11a_100000684583_100000210414 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.108 CCC(=O)N(C)CC1CCOC1 1626a_100000684583_100000210414 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.108 CCC(=O)N(C)CC1CCOC1 240690a_100000684583_100000210414 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.108 CCC(=O)N(C)CC1CCOC1 527a_100000684583_100000210414 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.108 CCC(=O)N(C)CC1OCCO1 11a_200000032744_100000210414 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.108 CCC(=O)N(C)CC1OCCO1 1626a_200000032744_100000210414 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.108 CCC(=O)N(C)CC1OCCO1 527a_200000032744_100000210414 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.108 CCC(C)C(=O)CC1CCCO1 1458a_100011192722_100000203698 [0,1,0,0,0,0|2,0,1]=4 661 B12R1.108 CCC(C)N(C)CC1CCCO1 2230a_100000741768_100000203698 [0,1,0,0,0,0|2,0,1]=4 662 B12R1.108 CCC(C)N(C)CC1CCCO1 2230a_100102946541_100000758301 [0,1,0,0,0,0|2,0,1]=4 663 B12R1.108 CCC(C)N(C)CC1CCCO1 269982a_100000741768_100000183445 [0,1,0,0,0,0|2,0,1]=4 664 B12R1.108 CCC(C)N(C)CC1CCCO1 269982a_100102946541_100000758301 [0,1,0,0,0,0|2,0,1]=4 665 B12R1.108 CCC(C)N(C)CC1CCCO1 34a_100102946541_100011215416 [0,1,0,0,0,0|2,0,1]=4 666 B12R1.108 CCC(O)C(=O)CC1CCCO1 1458a_100011196387_100000203698 [0,1,0,0,0,0|1,0,2]=4 667 B12R1.108 CN(CC1CCCO1)C(=O)CO 240690a_100102946541_100000210174 [0,1,0,0,0,0|2,0,0]=3 668 B12R1.108 CN(CC1CCCO1)C(=O)CO 527a_100102946541_100000210174 [0,1,0,0,0,0|2,0,0]=3 669 B12R1.108 CN(CC1OCCO1)C(=O)CO 527a_200000032744_100000210174 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.108 CNC(=O)C(=O)CC1CCCC1 1458a_100011218921_100000740388 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.108 CNC(=O)C(=O)CC1CCCO1 1458a_100011218921_100000203698 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.108 CNC(=O)C(=O)CC1OCCO1 1458a_100011218921_100000755774 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.108 CNC(=O)C(C)OC1CCCO1 34a_100000085407_100000731044 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.108 CNC(=O)C(F)OC1CCCO1 34a_100000085407_100009813575 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.108 CNC(=O)N(C)CC1CCCO1 2708a_100102657272_100102946541 [0,1,0,0,0,0|2,0,0]=3 676 B12R1.108 CNC(=O)N(C)CC1CCCO1 273464a_100102657272_100102946541 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.108 CNC(=O)N(C)CC1OCCO1 2708a_100102657272_200000032744 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.108 CNC(=O)N(C)CC1OCCO1 273464a_100102657272_200000032744 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.108 COC(=O)C(C)OC1CCCO1 34a_100000085407_100000211248 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.196 CC(C)(CCl)OCC1CCCO1 7a_100000764493_100000203698 [0,1,0,0,0,0|2,0,1]=4 681 B12R1.196 CCC(C)(C)NCC1CCCO1 2230a_100000211385_100000203698 [0,1,0,0,0,0|2,0,1]=4 682 B12R1.196 CCC(C)(C)OCC1CCCC1 7a_100000210230_100000740388 [0,1,0,0,0,0|2,0,1]=4 683 B12R1.196 CCC(C)(C)OCC1CCCC1 7a_100000742336_100000210677 [0,1,0,0,0,0|2,0,1]=4 684 B12R1.196 CCC(C)(C)OCC1CCCO1 7a_100000210230_100000203698 [0,1,0,0,0,0|1,0,1]=3 685 B12R1.196 CCC(C)(C)OCC1CCCO1 7a_100000210270_100000210677 [0,1,0,0,0,0|1,0,1]=3 686 B12R1.196 CCC(C)(C)OCC1OCCO1 7a_100000210230_100000755774 [0,1,0,0,0,0|2,0,1]=4 687 B12R1.196 CCC(C)(C)SCC1CCCO1 62a_100000032637_100000203698 [0,1,0,0,0,0|1,1,1]=4 688 B12R1.196 CCC(C)(C)SCC1CCCO1 62a_100000203698_100000032637 [0,1,0,0,0,0|1,1,1]=4 689 B12R1.196 CCS(=O)(=O)NCC1CCCC1 270084a_100000737975_100000211323 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.196 CCS(=O)(=O)NCC1CCCC1 274078a_100000737975_100000211323 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.196 CCS(=O)(=O)NCC1CCCC1 40a_100000737975_100000053943 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.196 CCS(=O)(=O)NCC1OCCO1 270084a_100000036311_100000211323 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.196 CCS(=O)(=O)NCC1OCCO1 274078a_100000036311_100000211323 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.196 CCS(=O)(=O)NCC1OCCO1 40a_100000036311_100000053943 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.196 CCS(=O)(=O)NC[C@@H]1CCCO1 270084a_100020590478_100000211323 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.196 CCS(=O)(=O)NC[C@@H]1CCCO1 274078a_100020590478_100000211323 [0,1,0,0,0,0|2,0,0]=3 697 B12R1.196 CCS(=O)(=O)NC[C@@H]1CCCO1 40a_100020590478_100000053943 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.196 O=S(=O)(CCl)NC[C@@H]1CCCO1 270084a_100020590478_100000031410 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.196 O=S(=O)(CCl)NC[C@@H]1CCCO1 274078a_100020590478_100000031410 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.264 C=C(Br)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100009813364 [0,1,0,0,0,0|1,0,2]=4 701 B12R1.264 C=C(Br)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100009813364 [0,1,0,0,0,0|1,0,2]=4 702 B12R1.264 C=C(C)C(=O)CCC1CCCC1 1458a_100000185857_100000760354 [0,1,0,0,0,0|2,0,1]=4 703 B12R1.264 C=C(C)C(=O)CCC1OCCO1 1458a_100000185857_100000740749 [0,1,0,0,0,0|2,0,1]=4 704 B12R1.264 C=C(C)C(=O)NCC1CCCC1 11a_100000737975_100000185857 [0,1,0,0,0,0|2,0,1]=4 705 B12R1.264 C=C(C)C(=O)NCC1CCCC1 1626a_100000737975_100000185857 [0,1,0,0,0,0|2,0,1]=4 706 B12R1.264 C=C(C)C(=O)NCC1OCCO1 11a_100000036311_100000185857 [0,1,0,0,0,0|2,0,1]=4 707 B12R1.264 C=C(C)C(=O)NCC1OCCO1 1626a_100000036311_100000185857 [0,1,0,0,0,0|2,0,1]=4 708 B12R1.264 C=C(C)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000185857 [0,1,0,0,0,0|1,0,1]=3 709 B12R1.264 C=C(C)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000185857 [0,1,0,0,0,0|1,0,1]=3 710 B12R1.264 C=C(Cl)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000039160 [0,1,0,0,0,0|1,0,2]=4 711 B12R1.264 C=C(Cl)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000039160 [0,1,0,0,0,0|1,0,2]=4 712 B12R1.264 C=C(F)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000036797 [0,1,0,0,0,0|1,0,2]=4 713 B12R1.264 C=C(F)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000036797 [0,1,0,0,0,0|1,0,2]=4 714 B12R1.264 CC(=O)C(=O)COC1CCCO1 34a_100000085407_100011261029 [0,1,0,0,0,0|2,0,1]=4 715 B12R1.264 CC(=O)C(C)OCC1CCCO1 1458a_100000746140_200000210301 [0,1,0,0,0,0|1,0,2]=4 716 B12R1.264 CC(=O)C(C)OCC1CCCO1 7a_100000210270_100000179758 [0,1,0,0,0,0|1,0,2]=4 717 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000210198_100000760354 [0,1,0,0,0,0|2,0,0]=3 718 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000211120_100000210206 [0,1,0,0,0,0|2,0,0]=3 719 B12R1.264 CC(C)C(=O)CCC1CCCO1 1458a_100011247709_100000210206 [0,1,0,0,0,0|1,0,0]=2 720 B12R1.264 CC(C)C(=O)CCC1OCCO1 1458a_100000082924_100000210206 [0,1,0,0,0,0|2,0,0]=3 721 B12R1.264 CC(C)C(=O)CCC1OCCO1 1458a_100000210198_100000740749 [0,1,0,0,0,0|2,0,0]=3 722 B12R1.264 CC(C)C(=O)CCN1CCCC1 1458a_100000210198_100000004467 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.264 CC(C)C(=O)CCN1CCCC1 1458a_100000738983_100000210206 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.264 CC(C)C(=O)CCN1CCCO1 1458a_200015187630_100000210206 [0,1,0,0,0,0|2,0,0]=3 725 B12R1.264 CC(C)C(=O)CNC1CCCC1 2230a_100000211070_100000753385 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.264 CC(C)C(=O)CNC1CCCC1 34a_100000211070_100000753385 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.264 CC(C)C(=O)COC1CCCC1 1458a_100000741352_100000210206 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.264 CC(C)C(=O)COC1CCCC1 34a_100000210269_100000753385 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.264 CC(C)C(=O)COC1CCCC1 7a_100000210269_100000753385 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.264 CC(C)C(=O)COC1CCCO1 34a_100000085407_100000753385 [0,1,0,0,0,0|2,0,0]=3 731 B12R1.264 CC(C)C(=O)CSC1CCCC1 62a_100000753385_100000179811 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.264 CC(C)C(=O)CSC1CCCC1 62a_100011217020_100000753385 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.264 CC(C)C(=O)NCC1CCCC1 11a_100000737975_100000210198 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.264 CC(C)C(=O)NCC1CCCC1 1626a_100000737975_100000210198 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.264 CC(C)C(=O)NCC1CCCC1 240690a_100000737975_100000210198 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.264 CC(C)C(=O)NCC1CCCC1 527a_100000737975_100000210198 [0,1,0,0,0,0|2,0,0]=3 737 B12R1.264 CC(C)C(=O)NCC1CCOC1 11a_100000737293_100000210198 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.264 CC(C)C(=O)NCC1CCOC1 1626a_100000737293_100000210198 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.264 CC(C)C(=O)NCC1CCOC1 240690a_100000737293_100000210198 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.264 CC(C)C(=O)NCC1CCOC1 527a_100000737293_100000210198 [0,1,0,0,0,0|3,0,0]=4 741 B12R1.264 CC(C)C(=O)NCC1OCCO1 11a_100000036311_100000210198 [0,1,0,0,0,0|2,0,0]=3 742 B12R1.264 CC(C)C(=O)NCC1OCCO1 1626a_100000036311_100000210198 [0,1,0,0,0,0|2,0,0]=3 743 B12R1.264 CC(C)C(=O)NCC1OCCO1 527a_100000036311_100000210198 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210198 [0,1,0,0,0,0|1,0,0]=2 745 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210198 [0,1,0,0,0,0|1,0,0]=2 746 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210198 [0,1,0,0,0,0|1,0,0]=2 747 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210198 [0,1,0,0,0,0|1,0,0]=2 748 B12R1.264 CC(C)C(=O)NNC1CCCC1 22a_100000737850_100000210198 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.264 CC(C)C(C)NCC1CCCO1 2230a_100000211541_100000203698 [0,1,0,0,0,0|2,0,1]=4 750 B12R1.264 CC(C)C(C)OCC1CCCC1 7a_100000748068_100000740388 [0,1,0,0,0,0|2,0,1]=4 751 B12R1.264 CC(C)C(C)OCC1CCCO1 7a_100000748068_100000203698 [0,1,0,0,0,0|1,0,1]=3 752 B12R1.264 CC(C)C(C)OCC1OCCO1 7a_100000748068_100000755774 [0,1,0,0,0,0|2,0,1]=4 753 B12R1.264 CC(F)C(=O)CCC1CCCC1 1458a_100000062450_100000760354 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.264 CC(F)C(=O)CCC1OCCO1 1458a_100000062450_100000740749 [0,1,0,0,0,0|2,0,0]=3 755 B12R1.264 CC(F)C(=O)CCN1CCCC1 1458a_100000062450_100000004467 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.264 CC(F)C(=O)NCC1CCCC1 11a_100000737975_100000062450 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.264 CC(F)C(=O)NCC1CCCC1 1626a_100000737975_100000062450 [0,1,0,0,0,0|2,0,0]=3 758 B12R1.264 CC(F)C(=O)NCC1CCCC1 240690a_100000737975_100000062450 [0,1,0,0,0,0|2,0,0]=3 759 B12R1.264 CC(F)C(=O)NCC1CCCC1 527a_100000737975_100000062450 [0,1,0,0,0,0|2,0,0]=3 760 B12R1.264 CC(F)C(=O)NCC1CCOC1 11a_100000737293_100000062450 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.264 CC(F)C(=O)NCC1CCOC1 1626a_100000737293_100000062450 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.264 CC(F)C(=O)NCC1CCOC1 240690a_100000737293_100000062450 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.264 CC(F)C(=O)NCC1CCOC1 527a_100000737293_100000062450 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.264 CC(F)C(=O)NCC1OCCO1 11a_100000036311_100000062450 [0,1,0,0,0,0|2,0,0]=3 765 B12R1.264 CC(F)C(=O)NCC1OCCO1 1626a_100000036311_100000062450 [0,1,0,0,0,0|2,0,0]=3 766 B12R1.264 CC(F)C(=O)NCC1OCCO1 527a_100000036311_100000062450 [0,1,0,0,0,0|2,0,0]=3 767 B12R1.264 CC(F)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000062450 [0,1,0,0,0,0|1,0,0]=2 768 B12R1.264 CC(F)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000062450 [0,1,0,0,0,0|1,0,0]=2 769 B12R1.264 CC(F)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000062450 [0,1,0,0,0,0|1,0,0]=2 770 B12R1.264 CC(F)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100000062450 [0,1,0,0,0,0|1,0,0]=2 771 B12R1.264 CC(F)C(=O)NNC1CCCC1 22a_100000737850_100000062450 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.264 CC(OCC1CCCO1)C(=O)[13CH3] 1458a_100000746140_200025704644 [0,1,0,0,0,0|1,0,2]=4 773 B12R1.264 CN(C)C(=O)CCC1CCCC1 11a_100102631434_100000211120 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.264 CN(C)C(=O)CCC1CCCC1 1626a_100102631434_100000211120 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.264 CN(C)C(=O)CCC1CCCC1 240690a_100102631434_100000211120 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.264 CN(C)C(=O)CCC1CCCC1 527a_100102631434_100000211120 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.264 CN(C)C(=O)CCC1CCCO1 11a_100102631434_100011247709 [0,1,0,0,0,0|2,0,0]=3 778 B12R1.264 CN(C)C(=O)CCC1CCCO1 1626a_100102631434_100011247709 [0,1,0,0,0,0|2,0,0]=3 779 B12R1.264 CN(C)C(=O)CCC1CCCO1 240690a_100102631434_100011247709 [0,1,0,0,0,0|2,0,0]=3 780 B12R1.264 CN(C)C(=O)CCC1CCCO1 527a_100102631434_100011247709 [0,1,0,0,0,0|2,0,0]=3 781 B12R1.264 CN(C)C(=O)CCN1CCCO1 240690a_100102631434_200015187630 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.264 CN(C)C(=O)COC1CCCO1 34a_100000085407_100000692301 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.264 CN(C)C(=O)NCC1CCCC1 2708a_100000737975_100102631434 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.264 CN(C)C(=O)NCC1OCCO1 2708a_100000036311_100102631434 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.264 CN(C)C(=O)NC[C@@H]1CCCO1 2708a_100020590478_100102631434 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.264 C[C@@H](O)C(=O)CCC1CCCC1 1458a_100000717761_100000760354 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.264 C[C@@H](O)C(=O)CCC1OCCO1 1458a_100000717761_100000740749 [0,1,0,0,0,0|2,0,0]=3 788 B12R1.264 C[C@@H](O)C(=O)CCN1CCCC1 1458a_100000717761_100000004467 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 240690a_100000737975_100000717761 [0,1,0,0,0,0|2,0,0]=3 790 B12R1.264 C[C@@H](O)C(=O)NCC1CCOC1 240690a_100000737293_100000717761 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.264 C[C@@H](O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000717761 [0,1,0,0,0,0|1,0,0]=2 792 B12R1.264 C[C@@H](O)C(=O)NNC1CCCC1 22a_100000737850_100000717761 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.264 C[C@H](O)C(=O)CCC1CCCC1 1458a_217856618621_100000760354 [0,1,0,0,0,0|2,0,0]=3 794 B12R1.264 C[C@H](O)C(=O)CCC1OCCO1 1458a_217856618621_100000740749 [0,1,0,0,0,0|2,0,0]=3 795 B12R1.264 C[C@H](O)C(=O)CCN1CCCC1 1458a_217856618621_100000004467 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 1626a_100000737975_217856618621 [0,1,0,0,0,0|2,0,0]=3 797 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 240690a_100000737975_217856618621 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.264 C[C@H](O)C(=O)NCC1CCOC1 1626a_100000737293_217856618621 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.264 C[C@H](O)C(=O)NCC1CCOC1 240690a_100000737293_217856618621 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.264 C[C@H](O)C(=O)NCC1OCCO1 1626a_100000036311_217856618621 [0,1,0,0,0,0|2,0,0]=3 801 B12R1.264 C[C@H](O)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_217856618621 [0,1,0,0,0,0|1,0,0]=2 802 B12R1.264 C[C@H](O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_217856618621 [0,1,0,0,0,0|1,0,0]=2 803 B12R1.264 C[C@H](O)C(=O)NNC1CCCC1 22a_100000737850_217856618621 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.264 NC(=O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100011215815 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.264 O=C(CCC1CCCC1)C(O)O 1458a_100000233687_100000760354 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.264 O=C(CCC1OCCO1)C(O)O 1458a_100000233687_100000740749 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.264 O=C(NCC1CCCC1)C(F)F 11a_100000737975_100000210393 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.264 O=C(NCC1CCCC1)C(F)F 1626a_100000737975_100000210393 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.264 O=C(NCC1CCCC1)C(F)F 240690a_100000737975_100000210393 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.264 O=C(NCC1CCCC1)C(F)F 527a_100000737975_100000210393 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.264 O=C(NCC1CCCC1)C(O)O 240690a_100000737975_100000233687 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.264 O=C(NCC1OCCO1)C(F)F 11a_100000036311_100000210393 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.264 O=C(NCC1OCCO1)C(F)F 1626a_100000036311_100000210393 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.264 O=C(NCC1OCCO1)C(F)F 527a_100000036311_100000210393 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.264 O=C(NC[C@@H]1CCCO1)C(F)F 11a_100020590478_100000210393 [0,1,0,0,0,0|2,0,0]=3 816 B12R1.264 O=C(NC[C@@H]1CCCO1)C(F)F 1626a_100020590478_100000210393 [0,1,0,0,0,0|2,0,0]=3 817 B12R1.264 O=C(NC[C@@H]1CCCO1)C(F)F 240690a_100020590478_100000210393 [0,1,0,0,0,0|2,0,0]=3 818 B12R1.264 O=C(NC[C@@H]1CCCO1)C(F)F 527a_100020590478_100000210393 [0,1,0,0,0,0|2,0,0]=3 819 B12R1.264 O=C(NC[C@@H]1CCCO1)C(O)O 240690a_100020590478_100000233687 [0,1,0,0,0,0|2,0,0]=3 820 B12R1.297 C#CC(CC)OCC1CCCC1 34a_100000758843_100000740388 [0,1,0,0,0,0|2,0,1]=4 821 B12R1.297 C#CC(CC)OCC1CCCC1 7a_100000758843_100000740388 [0,1,0,0,0,0|2,0,1]=4 822 B12R1.297 C#CC(CC)OCC1CCCO1 7a_100000758843_100000203698 [0,1,0,0,0,0|1,0,1]=3 823 B12R1.297 C#CC(CC)OCC1OCCO1 34a_100000758843_100000755774 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.297 C#CC(CC)OCC1OCCO1 7a_100000758843_100000755774 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.297 C=CC(CC)OCC1CCCC1 34a_100000766422_100000740388 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.297 C=CC(CC)OCC1CCCC1 7a_100000766422_100000740388 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.297 C=CC(CC)OCC1CCCO1 7a_100000766422_100000203698 [0,1,0,0,0,0|1,0,1]=3 828 B12R1.297 C=CC(CC)OCC1OCCO1 34a_100000766422_100000755774 [0,1,0,0,0,0|2,0,1]=4 829 B12R1.297 C=CC(CC)OCC1OCCO1 7a_100000766422_100000755774 [0,1,0,0,0,0|2,0,1]=4 830 B12R1.297 CCC(CC)NCC1CCCO1 2230a_100000199018_100000203698 [0,1,0,0,0,0|2,0,1]=4 831 B12R1.297 CCC(CC)NC[C@@H]1CCCO1 270004a_100020590478_100000210860 [0,1,0,0,0,0|2,0,1]=4 832 B12R1.297 CCC(CC)OCC1CCCC1 7a_100000688536_100000740388 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.297 CCC(CC)OCC1CCCC1 7a_100000742336_100000210505 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.297 CCC(CC)OCC1CCCO1 7a_100000210270_100000210505 [0,1,0,0,0,0|1,0,1]=3 835 B12R1.297 CCC(CC)OCC1CCCO1 7a_100000688536_100000203698 [0,1,0,0,0,0|1,0,1]=3 836 B12R1.297 CCC(CC)OCC1OCCO1 7a_100000688536_100000755774 [0,1,0,0,0,0|2,0,1]=4 837 B12R1.297 CCC(CC)SCC1CCCO1 62a_100000203698_100000210505 [0,1,0,0,0,0|1,1,1]=4 838 B12R1.297 CCC(CC)SCC1CCCO1 62a_100000210505_100000203698 [0,1,0,0,0,0|1,1,1]=4 839 B12R1.297 CC[C@@H](CO)NCC1CCCO1 2230a_100000709445_100000203698 [0,1,0,0,0,0|1,0,2]=4 840 B12R1.297 ClCC(CCl)OCC1CCCO1 7a_100000737055_100000203698 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.297 FCC(CF)OCC1CCCO1 7a_100000032261_100000203698 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.297 FC[C@@H](CCl)OCC1CCCO1 7a_100015614560_100000203698 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.297 O=CC(C=O)OCC1CCCO1 34a_100000210270_100000736813 [0,1,0,0,0,0|1,0,2]=4 844 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,1,0,0,0,0|2,0,0]=3 845 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000210414_100000742232 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210202 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.353 CCC(=O)COC1CCCC1=O 34a_100000725409_100000709159 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000211823_100000747405 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000747405_100000211823 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747405_200016002552 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747405 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210414 [0,1,0,0,0,0|2,0,0]=3 855 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210414 [0,1,0,0,0,0|2,0,0]=3 856 B12R1.353 CCC(C)OCC1CCCN1C 34a_100000743107_100011215416 [0,1,0,0,0,0|2,0,1]=4 857 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 240690a_100009821018_100000210174 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 527a_100009821018_100000210174 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_106832991635 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100102657272_100009821018 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100102657272 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100102657272_100009821018 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100102657272 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_106832991638_100009821018 [0,1,0,0,0,0|3,0,0]=4 866 B12R1.1677 CC1(OCCO1)CCC(=O)CO 1458a_100000210174_100000758764 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.1677 CC1(OCCO1)CNC(=O)CO 240690a_100000691740_100000210174 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.1677 CC1(OCCO1)CNC(=O)CO 527a_100000691740_100000210174 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.1677 CCC(=O)CCC1(OCCO1)C 1458a_100000210414_100000758764 [0,1,0,0,0,0|2,0,0]=3 870 B12R1.1677 CCC(=O)COC1(CCCC1)C 7a_100000751722_100000747405 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.1677 CCC(=O)NCC1(CCCC1)O 11a_100000737848_100000210414 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.1677 CCC(=O)NCC1(CCCC1)O 1626a_100000737848_100000210414 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.1677 CCC(=O)NCC1(CCCC1)O 240690a_100000737848_100000210414 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.1677 CCC(=O)NCC1(CCCC1)O 527a_100000737848_100000210414 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.1677 CCC(=O)NCC1(OCCO1)C 11a_100000691740_100000210414 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.1677 CCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210414 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.1677 CCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210414 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.1677 CCC(=O)NCC1(OCCO1)C 527a_100000691740_100000210414 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.1677 CCC(C)OCC1(CCCC1)N 34a_100000749328_100011215416 [0,1,0,0,0,0|2,0,1]=4 880 B12R1.1677 CCC(C)OC[C@@]1(CCCN1)C 34a_100016195882_100011215416 [0,1,0,0,0,0|2,0,1]=4 881 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100000737848_106832991635 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100102657272_100000737848 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.1677 CNC(=O)NCC1(CCCC1)O 273464a_100102657272_100000737848 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_100000737848_100102657272 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_106832991638_100000737848 [0,1,0,0,0,0|3,0,0]=4 886 B12R1.1677 CNC(=O)NCC1(OCCO1)C 2708a_100000691740_106832991635 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.1677 CNC(=O)NCC1(OCCO1)C 2708a_100102657272_100000691740 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.1677 CNC(=O)NCC1(OCCO1)C 273464a_100000691740_100102657272 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.1677 CNC(=O)NCC1(OCCO1)C 273464a_100102657272_100000691740 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.1677 CNC(=O)NCC1(OCCO1)C 512a_100000691740_100102657272 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.1677 CNC(=O)NCC1(OCCO1)C 512a_106832991638_100000691740 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.1677 O=C(CO)NCC1(CCCC1)O 240690a_100000737848_100000210174 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.1677 O=C(CO)NCC1(CCCC1)O 527a_100000737848_100000210174 [0,1,0,0,0,0|3,0,0]=4 894 B10R0.45 C=CC(=O)NCC(CC)OC 1626a_100000731041_100000185746 [0,0,1,0,0,0|1,0,2]=4 895 B10R0.45 C=CC(=O)NCC(CC)OC 240690a_100000731041_200121576911 [0,0,1,0,0,0|1,0,2]=4 896 B10R0.45 CCC(=O)CCC(OC)OC 1458a_100000210414_100000139399 [0,0,1,0,0,0|2,0,0]=3 897 B10R0.45 CCC(=O)CCC(OC)OC 1458a_200000082759_100000210202 [0,0,1,0,0,0|2,0,0]=3 898 B10R0.45 CCC(=O)CCN(CC)CC 1458a_100000210414_100000700428 [0,0,1,0,0,0|3,0,0]=4 899 B10R0.45 CCC(=O)CCN(CC)CC 1458a_100000750416_100000210202 [0,0,1,0,0,0|3,0,0]=4 900 B10R0.45 CCC(=O)COC(CC)CC 1458a_100012002705_100000210202 [0,0,1,0,0,0|3,0,0]=4 901 B10R0.45 CCC(=O)COC(CC)CC 7a_100000688536_100000747405 [0,0,1,0,0,0|3,0,0]=4 902 B10R0.45 CCC(=O)CSC(CC)CC 62a_100000210505_100000747405 [0,0,1,0,0,0|3,0,0]=4 903 B10R0.45 CCC(=O)CSC(CC)CC 62a_100000747405_100000210505 [0,0,1,0,0,0|3,0,0]=4 904 B10R0.45 CCC(=O)NCC(CC)CC 11a_100102946423_100000210414 [0,0,1,0,0,0|2,0,0]=3 905 B10R0.45 CCC(=O)NCC(CC)CC 1626a_100102946423_100000210414 [0,0,1,0,0,0|2,0,0]=3 906 B10R0.45 CCC(=O)NCC(CC)CC 240690a_100102946423_100000210414 [0,0,1,0,0,0|2,0,0]=3 907 B10R0.45 CCC(=O)NCC(CC)CC 527a_100102946423_100000210414 [0,0,1,0,0,0|2,0,0]=3 908 B10R0.45 CCC(=O)NCC(CC)OC 11a_100000731041_100000210414 [0,0,1,0,0,0|1,0,0]=2 909 B10R0.45 CCC(=O)NCC(CC)OC 1626a_100000731041_100000210414 [0,0,1,0,0,0|1,0,0]=2 910 B10R0.45 CCC(=O)NCC(CC)OC 240690a_100000731041_100000210414 [0,0,1,0,0,0|1,0,0]=2 911 B10R0.45 CCC(=O)NCC(CC)OC 527a_100000731041_100000210414 [0,0,1,0,0,0|1,0,0]=2 912 B10R0.45 CCC(=O)NCC(OC)OC 11a_100000210479_100000210414 [0,0,1,0,0,0|2,0,0]=3 913 B10R0.45 CCC(=O)NCC(OC)OC 1626a_100000210479_100000210414 [0,0,1,0,0,0|2,0,0]=3 914 B10R0.45 CCC(=O)NCC(OC)OC 240690a_100000210479_100000210414 [0,0,1,0,0,0|2,0,0]=3 915 B10R0.45 CCC(=O)NCC(OC)OC 527a_100000210479_100000210414 [0,0,1,0,0,0|2,0,0]=3 916 B10R0.45 CCC(=O)NNC(CC)CC 22a_100000756293_100000210414 [0,0,1,0,0,0|3,0,0]=4 917 B10R0.45 CCC(C)OCC(CC)OC 34a_100011934954_100011215416 [0,0,1,0,0,0|1,0,1]=3 918 B10R0.45 CCC(C)OCC(CC)OC 7a_100011934954_100000758301 [0,0,1,0,0,0|1,0,1]=3 919 B10R0.45 CCC(C)OCC(OC)OC 34a_100011216393_100011215416 [0,0,1,0,0,0|2,0,1]=4 920 B10R0.45 CCC(C)OCC(OC)OC 7a_100000210228_100000751394 [0,0,1,0,0,0|2,0,1]=4 921 B10R0.45 CCC(CC)CNC(=O)CO 240690a_100102946423_100000210174 [0,0,1,0,0,0|3,0,0]=4 922 B10R0.45 CCC(CC)CNC(=O)CO 527a_100102946423_100000210174 [0,0,1,0,0,0|3,0,0]=4 923 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102657272_100102946423 [0,0,1,0,0,0|3,0,0]=4 924 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102946423_106832991635 [0,0,1,0,0,0|3,0,0]=4 925 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102657272_100102946423 [0,0,1,0,0,0|3,0,0]=4 926 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102946423_100102657272 [0,0,1,0,0,0|3,0,0]=4 927 B10R0.45 CCC(CC)CNC(=O)NC 512a_100102946423_100102657272 [0,0,1,0,0,0|3,0,0]=4 928 B10R0.45 CCC(CC)CNC(=O)NC 512a_106832991638_100102946423 [0,0,1,0,0,0|3,0,0]=4 929 B10R0.45 CCC(CC)COC(C)CC 7a_100000210228_100011215472 [0,0,1,0,0,0|2,0,1]=4 930 B10R0.45 CCC(CC)COC(C)CC 7a_100000703878_100000758301 [0,0,1,0,0,0|2,0,1]=4 931 B10R0.45 CCC(CNC(=O)CO)OC 240690a_100000731041_100000210174 [0,0,1,0,0,0|2,0,0]=3 932 B10R0.45 CCC(CNC(=O)CO)OC 527a_100000731041_100000210174 [0,0,1,0,0,0|2,0,0]=3 933 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100000731041_106832991635 [0,0,1,0,0,0|2,0,0]=3 934 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100102657272_100000731041 [0,0,1,0,0,0|2,0,0]=3 935 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100000731041_100102657272 [0,0,1,0,0,0|2,0,0]=3 936 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100102657272_100000731041 [0,0,1,0,0,0|2,0,0]=3 937 B10R0.45 CCC(CNC(=O)NC)OC 512a_100000731041_100102657272 [0,0,1,0,0,0|2,0,0]=3 938 B10R0.45 CCC(CNC(=O)NC)OC 512a_106832991638_100000731041 [0,0,1,0,0,0|2,0,0]=3 939 B10R0.45 CCC(COC(C)CO)OC 34a_100011934954_100012180447 [0,0,1,0,0,0|2,0,1]=4 940 B10R0.45 CCC(COC(C)CO)OC 7a_100011934954_100012180447 [0,0,1,0,0,0|2,0,1]=4 941 B10R0.45 CNC(=O)CCC(OC)OC 11a_106832991635_200000082759 [0,0,1,0,0,0|3,0,0]=4 942 B10R0.45 CNC(=O)CCC(OC)OC 1626a_100102657272_200000082759 [0,0,1,0,0,0|3,0,0]=4 943 B10R0.45 CNC(=O)CCC(OC)OC 240690a_100102657272_200000082759 [0,0,1,0,0,0|3,0,0]=4 944 B10R0.45 CNC(=O)CCC(OC)OC 527a_100102657272_200000082759 [0,0,1,0,0,0|3,0,0]=4 945 B10R0.45 CNC(=O)NCC(OC)OC 2708a_100000210479_106832991635 [0,0,1,0,0,0|3,0,0]=4 946 B10R0.45 CNC(=O)NCC(OC)OC 273464a_100000210479_100102657272 [0,0,1,0,0,0|3,0,0]=4 947 B10R0.45 CNC(=O)NCC(OC)OC 273464a_100102657272_100000210479 [0,0,1,0,0,0|3,0,0]=4 948 B10R0.45 CNC(=O)NCC(OC)OC 512a_100000210479_100102657272 [0,0,1,0,0,0|3,0,0]=4 949 B10R0.45 CNC(=O)NCC(OC)OC 512a_106832991638_100000210479 [0,0,1,0,0,0|3,0,0]=4 950 B10R0.45 COC(CCC(=O)CF)OC 1458a_200000082759_100015361967 [0,0,1,0,0,0|3,0,0]=4 951 B10R0.45 COC(CCC(=O)CO)OC 1458a_100000210174_100000139399 [0,0,1,0,0,0|3,0,0]=4 952 B10R0.45 COC(CNC(=O)CO)OC 240690a_100000210479_100000210174 [0,0,1,0,0,0|3,0,0]=4 953 B10R0.45 COC(CNC(=O)CO)OC 527a_100000210479_100000210174 [0,0,1,0,0,0|3,0,0]=4 954 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,0,1,0,0,0|1,0,2]=4 955 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,0,1,0,0,0|2,0,1]=4 956 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,0,1,0,0,0|2,0,1]=4 957 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,0,1,0,0,0|2,0,1]=4 958 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,0,1,0,0,0|2,0,1]=4 959 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,0,1,0,0,0|2,0,1]=4 960 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,0,1,0,0,0|2,0,1]=4 961 B10R0.74 C#CCOCCNC(=O)CC 11a_100000700922_100000210414 [0,0,1,0,0,0|1,0,2]=4 962 B10R0.74 C#CCOCCNC(=O)CC 1626a_100000700922_100000210414 [0,0,1,0,0,0|1,0,2]=4 963 B10R0.74 C#CCOCCNC(=O)CC 240690a_100000700922_100000210414 [0,0,1,0,0,0|1,0,2]=4 964 B10R0.74 C#CCOCCNC(=O)CC 34a_200000158885_100000184674 [0,0,1,0,0,0|1,0,2]=4 965 B10R0.74 C#CCOCCNC(=O)CC 527a_100000700922_100000210414 [0,0,1,0,0,0|1,0,2]=4 966 B10R0.74 C#CCOCCNC(=O)CC 7a_200000158885_100000038162 [0,0,1,0,0,0|1,0,2]=4 967 B10R0.74 C#CCOCCOC(=O)CC 7a_200000031056_100000038162 [0,0,1,0,0,0|0,0,2]=3 968 B10R0.74 C#CCOCCOC(=O)NC 34a_100000210247_200011997002 [0,0,1,0,0,0|1,0,2]=4 969 B10R0.74 C#CCOCCOC(=O)OC 34a_100010262106_100000184674 [0,0,1,0,0,0|1,0,2]=4 970 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,0,1,0,0,0|1,0,2]=4 971 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,0,1,0,0,0|1,0,2]=4 972 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,0,1,0,0,0|1,0,2]=4 973 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,0,1,0,0,0|1,0,2]=4 974 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,0,1,0,0,0|1,0,2]=4 975 B10R0.74 C=CC(=O)OCCNCCO 2230a_100016997473_100009813456 [0,0,1,0,0,0|1,0,2]=4 976 B10R0.74 C=CC(=O)OCCNCCO 34a_100016990907_100009813456 [0,0,1,0,0,0|1,0,2]=4 977 B10R0.74 C=CC(=O)OCCOCCBr 34a_100000211926_100009813456 [0,0,1,0,0,0|1,0,2]=4 978 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,0,1,0,0,0|0,0,2]=3 979 B10R0.74 C=CC(=O)OCCOCCN 34a_100000210304_100009813456 [0,0,1,0,0,0|1,0,2]=4 980 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,0,1,0,0,0|0,1,2]=4 981 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,0,1,0,0,0|0,1,2]=4 982 B10R0.74 C=CC(=O)OCCSCCO 62a_100000211926_100009813456 [0,0,1,0,0,0|1,0,2]=4 983 B10R0.74 C=CC(=O)OCCSCCO 62a_100009813456_100000211926 [0,0,1,0,0,0|1,0,2]=4 984 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,0,1,0,0,0|2,0,1]=4 985 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,0,1,0,0,0|2,0,1]=4 986 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,0,1,0,0,0|2,0,1]=4 987 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,0,1,0,0,0|2,0,1]=4 988 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,0,1,0,0,0|2,0,1]=4 989 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,0,1,0,0,0|2,0,1]=4 990 B10R0.74 C=CCOCCNC(=O)CC 34a_200000158885_100015514636 [0,0,1,0,0,0|1,0,2]=4 991 B10R0.74 C=CCOCCNC(=O)CC 7a_200000158885_100015514636 [0,0,1,0,0,0|1,0,2]=4 992 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,0,1,0,0,0|0,0,2]=3 993 B10R0.74 C=CCOCCOC(=O)NC 34a_200000210373_200011997002 [0,0,1,0,0,0|1,0,2]=4 994 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,0,1,0,0,0|1,0,2]=4 995 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,0,1,0,0,0|2,0,1]=4 996 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,0,1,0,0,0|2,0,1]=4 997 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,0,1,0,0,0|2,0,1]=4 998 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,0,1,0,0,0|2,0,1]=4 999 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,0,1,0,0,0|2,0,0]=3 1000 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,0,1,0,0,0|1,0,0]=2 1001 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,0,1,0,0,0|1,0,0]=2 1002 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,0,1,0,0,0|3,0,0]=4 1003 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,0,1,0,0,0|3,0,0]=4 1004 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,0,1,0,0,0|3,0,0]=4 1005 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,0,1,0,0,0|3,0,0]=4 1006 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,0,1,0,0,0|2,0,0]=3 1007 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,0,1,0,0,0|3,0,0]=4 1008 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,0,1,0,0,0|3,0,0]=4 1009 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,0,1,0,0,0|2,0,0]=3 1010 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,0,1,0,0,0|2,0,0]=3 1011 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,0,1,0,0,0|2,0,1]=4 1012 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,0,1,0,0,0|2,0,1]=4 1013 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,0,1,0,0,0|2,0,1]=4 1014 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,0,1,0,0,0|2,0,1]=4 1015 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,0,1,0,0,0|1,0,0]=2 1016 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [0,0,1,0,0,0|3,0,0]=4 1017 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,0,1,0,0,0|2,0,0]=3 1018 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,0,1,0,0,0|3,0,0]=4 1019 B10R0.74 CCC(=O)NCCOCC#N 7a_200000158885_100011215382 [0,0,1,0,0,0|2,0,1]=4 1020 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,0,1,0,0,0|2,0,1]=4 1021 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,0,1,0,0,0|2,0,1]=4 1022 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,0,1,0,0,0|2,0,0]=3 1023 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,0,1,0,0,0|2,0,0]=3 1024 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,0,1,0,0,0|2,0,0]=3 1025 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,0,1,0,0,0|2,0,0]=3 1026 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,0,1,0,0,0|2,0,0]=3 1027 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,0,1,0,0,0|2,0,0]=3 1028 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,0,1,0,0,0|2,0,0]=3 1029 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,0,1,0,0,0|2,0,0]=3 1030 B10R0.74 CCC(=O)OCCOCC#N 7a_200000031056_100011215382 [0,0,1,0,0,0|1,0,1]=3 1031 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,0,1,0,0,0|1,0,1]=3 1032 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,0,1,0,0,0|1,0,0]=2 1033 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,0,1,0,0,0|1,0,0]=2 1034 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,0,1,0,0,0|2,0,1]=4 1035 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,0,1,0,0,0|2,0,1]=4 1036 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,0,1,0,0,0|2,0,1]=4 1037 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,0,1,0,0,0|2,0,1]=4 1038 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,0,1,0,0,0|2,0,1]=4 1039 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,0,1,0,0,0|2,0,1]=4 1040 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,0,1,0,0,0|2,0,1]=4 1041 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,0,1,0,0,0|2,0,1]=4 1042 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,0,1,0,0,0|2,0,1]=4 1043 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,0,1,0,0,0|2,0,1]=4 1044 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,0,1,0,0,0|2,0,1]=4 1045 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,0,1,0,0,0|1,0,1]=3 1046 B10R0.74 CCC(C)OCCOCCBr 34a_100000692535_100011215416 [0,0,1,0,0,0|2,0,1]=4 1047 B10R0.74 CCC(C)OCCOCCBr 7a_100000692535_100000758301 [0,0,1,0,0,0|2,0,1]=4 1048 B10R0.74 CCC(C)OCCOCCCl 34a_100011215305_100011215416 [0,0,1,0,0,0|2,0,1]=4 1049 B10R0.74 CCC(C)OCCOCCCl 7a_100011215305_100000758301 [0,0,1,0,0,0|2,0,1]=4 1050 B10R0.74 CCC(C)OCCOCCF 34a_200015357709_100011215416 [0,0,1,0,0,0|2,0,1]=4 1051 B10R0.74 CCC(C)OCCOCCF 7a_200015357709_100000758301 [0,0,1,0,0,0|2,0,1]=4 1052 B10R0.74 CCC(C)OCCOCCI 34a_100012149058_100011215416 [0,0,1,0,0,0|2,0,1]=4 1053 B10R0.74 CCC(C)OCCOCCI 7a_100012149058_100000758301 [0,0,1,0,0,0|2,0,1]=4 1054 B10R0.74 CCC(C)OCCOCCN 34a_100000211614_100011215416 [0,0,1,0,0,0|2,0,1]=4 1055 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,0,1,0,0,0|2,0,1]=4 1056 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,0,1,0,0,0|1,1,1]=4 1057 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,0,1,0,0,0|1,1,1]=4 1058 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,0,1,0,0,0|2,0,1]=4 1059 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,0,1,0,0,0|2,0,1]=4 1060 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,0,1,0,0,0|2,0,0]=3 1061 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,0,1,0,0,0|2,0,0]=3 1062 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,0,1,0,0,0|3,0,0]=4 1063 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,0,1,0,0,0|3,0,0]=4 1064 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,0,1,0,0,0|3,0,0]=4 1065 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,0,1,0,0,0|3,0,0]=4 1066 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,0,1,0,0,0|3,0,0]=4 1067 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,0,1,0,0,0|3,0,0]=4 1068 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,0,1,0,0,0|2,0,0]=3 1069 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,0,1,0,0,0|2,0,0]=3 1070 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,0,1,0,0,0|2,0,0]=3 1071 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,0,1,0,0,0|2,0,0]=3 1072 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,0,1,0,0,0|3,0,0]=4 1073 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,0,1,0,0,0|3,0,0]=4 1074 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,0,1,0,0,0|3,0,0]=4 1075 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,0,1,0,0,0|3,0,0]=4 1076 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,0,1,0,0,0|3,0,0]=4 1077 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,0,1,0,0,0|3,0,0]=4 1078 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,0,1,0,0,0|3,0,0]=4 1079 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,0,1,0,0,0|3,0,0]=4 1080 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,0,1,0,0,0|2,0,1]=4 1081 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,0,1,0,0,0|2,0,1]=4 1082 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,0,1,0,0,0|2,0,1]=4 1083 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,0,1,0,0,0|3,0,0]=4 1084 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,0,1,0,0,0|3,0,0]=4 1085 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,0,1,0,0,0|3,0,0]=4 1086 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,0,1,0,0,0|3,0,0]=4 1087 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,0,1,0,0,0|3,0,0]=4 1088 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,0,1,0,0,0|3,0,0]=4 1089 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,0,1,0,0,0|3,0,0]=4 1090 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,0,1,0,0,0|3,0,0]=4 1091 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,0,1,0,0,0|3,0,0]=4 1092 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,0,1,0,0,0|2,0,0]=3 1093 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,0,1,0,0,0|3,0,0]=4 1094 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,0,1,0,0,0|2,0,1]=4 1095 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,0,1,0,0,0|2,0,0]=3 1096 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,0,1,0,0,0|3,0,0]=4 1097 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,0,1,0,0,0|2,0,0]=3 1098 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,0,1,0,0,0|2,0,1]=4 1099 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,0,1,0,0,0|1,0,0]=2 1100 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,0,1,0,0,0|1,0,0]=2 1101 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,0,1,0,0,0|1,0,0]=2 1102 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,0,1,0,0,0|1,0,0]=2 1103 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,0,1,0,0,0|1,0,0]=2 1104 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,0,1,0,0,0|2,0,0]=3 1105 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,0,1,0,0,0|2,0,0]=3 1106 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,0,1,0,0,0|2,0,0]=3 1107 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,0,1,0,0,0|2,0,0]=3 1108 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,0,1,0,0,0|2,0,0]=3 1109 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,0,1,0,0,0|2,0,0]=3 1110 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,0,1,0,0,0|2,0,0]=3 1111 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,0,1,0,0,0|2,0,0]=3 1112 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,0,1,0,0,0|2,0,0]=3 1113 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,0,1,0,0,0|2,0,1]=4 1114 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,0,1,0,0,0|2,0,1]=4 1115 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,0,1,0,0,0|2,0,1]=4 1116 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,0,1,0,0,0|0,0,0]=1 1117 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,0,1,0,0,0|1,0,0]=2 1118 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,0,1,0,0,0|1,0,0]=2 1119 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,0,1,0,0,0|1,0,1]=3 1120 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,0,1,0,0,0|1,0,1]=3 1121 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,0,1,0,0,0|1,0,1]=3 1122 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,0,1,0,0,0|2,0,1]=4 1123 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,0,1,0,0,0|2,0,1]=4 1124 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,0,1,0,0,0|2,0,1]=4 1125 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,0,1,0,0,0|2,0,1]=4 1126 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,0,1,0,0,0|2,0,1]=4 1127 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,0,1,0,0,0|1,1,1]=4 1128 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,0,1,0,0,0|1,1,1]=4 1129 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,0,1,0,0,0|2,1,0]=4 1130 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,0,1,0,0,0|2,1,0]=4 1131 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,0,1,0,0,0|2,1,0]=4 1132 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,0,1,0,0,0|2,1,0]=4 1133 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,0,1,0,0,0|1,1,0]=3 1134 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,0,1,0,0,0|1,1,0]=3 1135 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,0,1,0,0,0|1,1,0]=3 1136 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,0,1,0,0,0|2,1,0]=4 1137 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,0,1,0,0,0|2,1,0]=4 1138 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,0,1,0,0,0|2,1,0]=4 1139 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,0,1,0,0,0|2,1,0]=4 1140 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,0,1,0,0,0|2,1,0]=4 1141 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,0,1,0,0,0|2,1,0]=4 1142 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,0,1,0,0,0|2,1,0]=4 1143 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,0,1,0,0,0|2,1,0]=4 1144 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,0,1,0,0,0|1,1,0]=3 1145 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,0,1,0,0,0|1,1,0]=3 1146 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,0,1,0,0,0|1,1,1]=4 1147 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,0,1,0,0,0|1,1,1]=4 1148 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,0,1,0,0,0|3,0,0]=4 1149 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,0,1,0,0,0|3,0,0]=4 1150 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,0,1,0,0,0|3,0,0]=4 1151 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,0,1,0,0,0|3,0,0]=4 1152 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,0,1,0,0,0|3,0,0]=4 1153 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,0,1,0,0,0|3,0,0]=4 1154 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,0,1,0,0,0|2,0,0]=3 1155 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,0,1,0,0,0|3,0,0]=4 1156 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,0,1,0,0,0|3,0,0]=4 1157 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,0,1,0,0,0|3,0,0]=4 1158 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,0,1,0,0,0|3,0,0]=4 1159 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,0,1,0,0,0|3,0,0]=4 1160 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,0,1,0,0,0|3,0,0]=4 1161 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,0,1,0,0,0|3,0,0]=4 1162 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,0,1,0,0,0|3,0,0]=4 1163 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,0,1,0,0,0|3,0,0]=4 1164 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,0,1,0,0,0|3,0,0]=4 1165 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,0,1,0,0,0|3,0,0]=4 1166 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,0,1,0,0,0|3,0,0]=4 1167 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,0,1,0,0,0|3,0,0]=4 1168 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,0,1,0,0,0|3,0,0]=4 1169 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,0,1,0,0,0|3,0,0]=4 1170 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,0,1,0,0,0|3,0,0]=4 1171 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,0,1,0,0,0|3,0,0]=4 1172 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,0,1,0,0,0|3,0,0]=4 1173 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,0,1,0,0,0|3,0,0]=4 1174 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,0,1,0,0,0|2,0,0]=3 1175 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,0,1,0,0,0|2,0,0]=3 1176 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,0,1,0,0,0|2,0,0]=3 1177 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,0,1,0,0,0|2,0,0]=3 1178 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,0,1,0,0,0|2,0,0]=3 1179 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,0,1,0,0,0|3,0,0]=4 1180 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,0,1,0,0,0|3,0,0]=4 1181 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,0,1,0,0,0|3,0,0]=4 1182 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,0,1,0,0,0|3,0,0]=4 1183 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,0,1,0,0,0|3,0,0]=4 1184 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,0,1,0,0,0|3,0,0]=4 1185 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,0,1,0,0,0|3,0,0]=4 1186 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,0,1,0,0,0|3,0,0]=4 1187 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,0,1,0,0,0|3,0,0]=4 1188 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,0,1,0,0,0|3,0,0]=4 1189 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,0,1,0,0,0|3,0,0]=4 1190 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,0,1,0,0,0|2,0,0]=3 1191 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,0,1,0,0,0|2,0,0]=3 1192 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,0,1,0,0,0|2,0,0]=3 1193 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,0,1,0,0,0|2,1,0]=4 1194 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,0,1,0,0,0|2,1,0]=4 1195 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,0,1,0,0,0|2,0,0]=3 1196 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,0,1,0,0,0|2,0,0]=3 1197 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,0,1,0,0,0|2,1,0]=4 1198 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,0,1,0,0,0|2,1,0]=4 1199 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,0,1,0,0,0|2,1,0]=4 1200 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,0,1,0,0,0|2,1,0]=4 1201 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,0,1,0,0,0|3,0,0]=4 1202 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,0,1,0,0,0|3,0,0]=4 1203 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,0,1,0,0,0|3,0,0]=4 1204 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,0,1,0,0,0|3,0,0]=4 1205 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,0,1,0,0,0|3,0,0]=4 1206 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,0,1,0,0,0|3,0,0]=4 1207 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,0,1,0,0,0|3,0,0]=4 1208 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,0,1,0,0,0|3,0,0]=4 1209 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,0,1,0,0,0|3,0,0]=4 1210 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,0,1,0,0,0|3,0,0]=4 1211 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,0,1,0,0,0|3,0,0]=4 1212 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,0,1,0,0,0|3,0,0]=4 1213 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,0,1,0,0,0|3,0,0]=4 1214 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,0,1,0,0,0|3,0,0]=4 1215 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,0,1,0,0,0|3,0,0]=4 1216 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,0,1,0,0,0|2,0,1]=4 1217 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,0,1,0,0,0|2,0,0]=3 1218 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,0,1,0,0,0|2,0,0]=3 1219 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,0,1,0,0,0|2,0,0]=3 1220 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,0,1,0,0,0|3,0,0]=4 1221 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,0,1,0,0,0|2,0,0]=3 1222 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,0,1,0,0,0|2,0,0]=3 1223 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,0,1,0,0,0|3,0,0]=4 1224 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,0,1,0,0,0|2,0,0]=3 1225 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,0,1,0,0,0|2,0,0]=3 1226 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,0,1,0,0,0|3,0,0]=4 1227 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,0,1,0,0,0|3,0,0]=4 1228 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,0,1,0,0,0|3,0,0]=4 1229 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,0,1,0,0,0|2,0,0]=3 1230 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,0,1,0,0,0|2,0,0]=3 1231 B10R0.108 CCC(C)OCC(O)COC 7a_100000210228_100011215053 [0,0,1,0,0,0|2,0,1]=4 1232 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,0,1,0,0,0|1,0,2]=4 1233 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,0,1,0,0,0|2,0,1]=4 1234 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,0,1,0,0,0|2,0,1]=4 1235 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,0,1,0,0,0|2,0,1]=4 1236 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,0,1,0,0,0|3,0,0]=4 1237 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,0,1,0,0,0|3,0,0]=4 1238 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,0,1,0,0,0|3,0,0]=4 1239 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,0,1,0,0,0|3,0,0]=4 1240 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,0,1,0,0,0|2,0,1]=4 1241 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,0,1,0,0,0|2,0,1]=4 1242 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,0,1,0,0,0|2,0,1]=4 1243 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,0,1,0,0,0|2,0,1]=4 1244 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [0,0,1,0,0,0|3,0,0]=4 1245 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [0,0,1,0,0,0|3,0,0]=4 1246 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [0,0,1,0,0,0|3,0,0]=4 1247 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [0,0,1,0,0,0|3,0,0]=4 1248 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [0,0,1,0,0,0|3,0,0]=4 1249 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,0,1,0,0,0|3,0,0]=4 1250 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,0,1,0,0,0|3,0,0]=4 1251 B12R2.12 CC1CCN1CC2CCCO2 269982a_100000755817_100000183445 [0,0,0,1,0,0|2,0,1]=4 1252 B12R2.12 O=C1CCC1NC2CCCC2 34a_100000211070_100009892977 [0,0,0,1,0,0|3,0,0]=4 1253 B12R2.12 O=C1CCC1OC2CCCC2 34a_100000210269_100009892977 [0,0,0,1,0,0|3,0,0]=4 1254 B12R2.12 O=C1CCC1OC2CCCC2 7a_100000210269_100009892977 [0,0,0,1,0,0|3,0,0]=4 1255 B12R2.12 O=C1CCC1OC2CCCO2 34a_100000085407_100009892977 [0,0,0,1,0,0|2,0,0]=3 1256 B12R2.12 O=C1CCC1SC2CCCC2 62a_100009892977_100000179811 [0,0,0,1,0,0|3,0,0]=4 1257 B12R2.12 O=C1CCC1SC2CCCC2 62a_100011217020_100009892977 [0,0,0,1,0,0|3,0,0]=4 1258 B12R2.1175 CN1CCC2(CCCO2)CC1 2230a_100015183443_200000210301 [0,0,0,1,0,0|3,0,0]=4 1259 B12R2.1175 CN1CCC2(CCCO2)CC1 269982a_100015183443_200000210301 [0,0,0,1,0,0|3,0,0]=4 1260 B12R2.1175 CN1CCC2(CCCO2)CC1 34a_100015183443_200000210301 [0,0,0,1,0,0|3,0,0]=4 1261 B12R2.1175 [13CH3]N1CCC2(CCCO2)CC1 2230a_100015183443_200025704644 [0,0,0,1,0,0|3,0,0]=4 1262 B12R2.1175 [13CH3]N1CCC2(CCCO2)CC1 269982a_100015183443_200025704644 [0,0,0,1,0,0|3,0,0]=4 1263 B12R2.1175 [13CH3]N1CCC2(CCCO2)CC1 34a_100015183443_200025704644 [0,0,0,1,0,0|3,0,0]=4 1264 B12R2.1596 C=CC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000185746 [0,0,0,1,0,0|1,0,2]=4 1265 B12R2.1596 C=CC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_200121576911 [0,0,0,1,0,0|1,0,2]=4 1266 B12R2.1596 CCC(=O)C1CC2C=CC1C2 1458a_100000211946_100000210202 [0,0,0,1,0,0|2,0,1]=4 1267 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210202 [0,0,0,1,0,0|2,0,0]=3 1268 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000210414_100000727232 [0,0,0,1,0,0|2,0,0]=3 1269 B12R2.1596 CCC(=O)N1CC2C=CC1C2 11a_100000732668_100000210414 [0,0,0,1,0,0|2,0,1]=4 1270 B12R2.1596 CCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000210414 [0,0,0,1,0,0|2,0,1]=4 1271 B12R2.1596 CCC(=O)N1CC2C=CC1C2 527a_100000732668_100000210414 [0,0,0,1,0,0|2,0,1]=4 1272 B12R2.1596 CCC(=O)N1CC2CCC1C2 11a_100000743476_100000210414 [0,0,0,1,0,0|2,0,0]=3 1273 B12R2.1596 CCC(=O)N1CC2CCC1C2 1626a_100000743476_100000210414 [0,0,0,1,0,0|2,0,0]=3 1274 B12R2.1596 CCC(=O)N1CC2CCC1C2 240690a_100000743476_100000210414 [0,0,0,1,0,0|2,0,0]=3 1275 B12R2.1596 CCC(=O)N1CC2CCC1C2 527a_100000743476_100000210414 [0,0,0,1,0,0|2,0,0]=3 1276 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000210414 [0,0,0,1,0,0|1,0,0]=2 1277 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000210414 [0,0,0,1,0,0|1,0,0]=2 1278 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210414 [0,0,0,1,0,0|1,0,0]=2 1279 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210414 [0,0,0,1,0,0|1,0,0]=2 1280 B12R2.1596 CCC(C)N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000758301 [0,0,0,1,0,0|2,0,1]=4 1281 B12R2.1596 CCC(C)N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000758301 [0,0,0,1,0,0|2,0,1]=4 1282 B12R2.1596 CCC(C)N1C[C@H]2C[C@@H]1CO2 34a_100016995552_100011215416 [0,0,0,1,0,0|2,0,1]=4 1283 B12R2.1596 CNC(=O)C1CC2CCC1C2 11a_106832991635_100000181847 [0,0,0,1,0,0|3,0,0]=4 1284 B12R2.1596 CNC(=O)C1CC2CCC1C2 1626a_100102657272_100000181847 [0,0,0,1,0,0|3,0,0]=4 1285 B12R2.1596 CNC(=O)C1CC2CCC1C2 240690a_100102657272_100000181847 [0,0,0,1,0,0|3,0,0]=4 1286 B12R2.1596 CNC(=O)C1CC2CCC1C2 527a_100102657272_100000181847 [0,0,0,1,0,0|3,0,0]=4 1287 B12R2.1596 CNC(=O)N1CC2CCC1C2 2708a_100102657272_100000743476 [0,0,0,1,0,0|3,0,0]=4 1288 B12R2.1596 CNC(=O)N1CC2CCC1C2 273464a_100102657272_100000743476 [0,0,0,1,0,0|3,0,0]=4 1289 B12R2.1596 CNC(=O)N1C[C@H]2C[C@@H]1CO2 2708a_100102657272_100016995552 [0,0,0,1,0,0|2,0,0]=3 1290 B12R2.1596 CNC(=O)N1C[C@H]2C[C@@H]1CO2 273464a_100102657272_100016995552 [0,0,0,1,0,0|2,0,0]=3 1291 B12R2.1596 O=C(CF)C1CC2CCC1C2 1458a_100000181847_100015361967 [0,0,0,1,0,0|3,0,0]=4 1292 B12R2.1596 O=C(CO)C1CC2CCC1C2 1458a_100000210174_100000727232 [0,0,0,1,0,0|3,0,0]=4 1293 B12R2.1596 O=C(CO)N1CC2CCC1C2 240690a_100000743476_100000210174 [0,0,0,1,0,0|3,0,0]=4 1294 B12R2.1596 O=C(CO)N1CC2CCC1C2 527a_100000743476_100000210174 [0,0,0,1,0,0|3,0,0]=4 1295 B12R2.1596 O=C(CO)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210174 [0,0,0,1,0,0|2,0,0]=3 1296 B12R2.1596 O=C(CO)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210174 [0,0,0,1,0,0|2,0,0]=3 1297 B12R2.1626 CCC(=O)NC1C2C1COC2 11a_100000702821_100000210414 [0,0,0,1,0,0|3,0,0]=4 1298 B12R2.1626 CCC(=O)NC1C2C1COC2 240690a_100000702821_100000210414 [0,0,0,1,0,0|3,0,0]=4 1299 B12R2.1626 CCC(=O)NC1C2C1COC2 527a_100000702821_100000210414 [0,0,0,1,0,0|3,0,0]=4 1300 B12R2.2056 C1CC(C1)NCC2CCCO2 2230a_100000749019_100000203698 [0,0,0,1,0,0|2,0,1]=4 1301 B12R2.2056 C1CC(C1)NC[C@@H]2CCCO2 270004a_100020590478_100000241760 [0,0,0,1,0,0|2,0,1]=4 1302 B12R2.2056 C1CC(C1)NC[C@@H]2CCCO2 34a_100020590478_100000749161 [0,0,0,1,0,0|2,0,1]=4 1303 B12R2.2056 C1CC(C1)OCC2CCCO2 34a_100000210270_100000749161 [0,0,0,1,0,0|1,0,1]=3 1304 B12R2.2056 C1CC(C1)OCC2COCO2 34a_100011216627_100000749161 [0,0,0,1,0,0|2,0,1]=4 1305 B12R2.2056 C1CC(C1)OCC2OCCO2 34a_100000087154_100000749161 [0,0,0,1,0,0|2,0,1]=4 1306 B12R2.2056 C1CC(C1)OCC2OCCO2 34a_100000748187_100000755774 [0,0,0,1,0,0|2,0,1]=4 1307 B12R2.2056 C1CC(C1)OC[C@H]2CCCN2 34a_100000745186_100000749161 [0,0,0,1,0,0|2,0,1]=4 1308 B12R2.2056 C1CCC(C1)COC2CCC2 34a_100000742336_100000749161 [0,0,0,1,0,0|2,0,1]=4 1309 B12R2.2056 C1CCC(C1)COC2CCC2 34a_100000748187_100000740388 [0,0,0,1,0,0|2,0,1]=4 1310 B12R2.2056 C1COC(C1)COC2COC2 34a_100000210270_100009818527 [0,0,0,1,0,0|2,0,1]=4 1311 B12R2.2056 C1COC(C1)COC2COC2 7a_100000210270_100009818527 [0,0,0,1,0,0|2,0,1]=4 1312 B12R2.2056 C1COC(C1)COC2CSC2 7a_100000072292_100000203698 [0,0,0,1,0,0|2,0,1]=4 1313 B12R2.2056 C1COC(C1)CSC2CCC2 62a_100000203698_100000749161 [0,0,0,1,0,0|1,1,1]=4 1314 B12R2.2399 CC1(CC1)NCC2CCCO2 2230a_100000757604_100000203698 [0,0,0,1,0,0|2,0,1]=4 1315 B12R2.2399 CC1(CC1)OCC2CCCC2 7a_100011725673_100000740388 [0,0,0,1,0,0|2,0,1]=4 1316 B12R2.2399 CC1(CC1)OCC2CCCO2 7a_100011725673_100000203698 [0,0,0,1,0,0|1,0,1]=3 1317 B12R2.2399 CC1(CC1)OCC2OCCO2 7a_100011725673_100000755774 [0,0,0,1,0,0|2,0,1]=4 1318 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,0,0,0,1,0|1,0,2]=4 1319 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,0,0,0,1,0|0,0,2]=3 1320 B10R1.27 C#CC(=O)CC1OCCO1 1458a_100000211873_100000755774 [0,0,0,0,1,0|1,0,2]=4 1321 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,0,0,0,1,0|1,0,2]=4 1322 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,0,0,0,1,0|0,0,2]=3 1323 B10R1.27 C=CC(=O)CC1OCCO1 1458a_100000185746_100000755774 [0,0,0,0,1,0|1,0,2]=4 1324 B10R1.27 CC(CO)OC1CCCO1 34a_100000085407_100012180447 [0,0,0,0,1,0|2,0,1]=4 1325 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,0,0,0,1,0|1,0,2]=4 1326 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,0,0,0,1,0|1,0,1]=3 1327 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,0,0,0,1,0|1,0,1]=3 1328 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,0,0,0,1,0|1,0,2]=4 1329 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,0,0,0,1,0|1,0,0]=2 1330 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,0,0,0,1,0|1,0,0]=2 1331 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,0,0,0,1,0|0,0,0]=1 1332 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,0,0,0,1,0|2,0,0]=3 1333 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,0,0,0,1,0|2,0,0]=3 1334 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,0,0,0,1,0|1,0,0]=2 1335 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,0,0,0,1,0|2,0,0]=3 1336 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,0,0,0,1,0|2,0,0]=3 1337 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [0,0,0,0,1,0|3,0,0]=4 1338 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,0,0,0,1,0|2,0,0]=3 1339 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,0,0,0,1,0|2,0,0]=3 1340 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,0,0,0,1,0|2,0,0]=3 1341 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,0,0,0,1,0|2,0,0]=3 1342 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,0,0,0,1,0|3,0,0]=4 1343 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,0,0,0,1,0|3,0,0]=4 1344 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,0,0,0,1,0|3,0,0]=4 1345 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,0,0,0,1,0|3,0,0]=4 1346 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,0,0,0,1,0|3,0,0]=4 1347 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,0,0,0,1,0|3,0,0]=4 1348 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,0,0,0,1,0|2,0,1]=4 1349 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,0,0,0,1,0|2,0,1]=4 1350 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,0,0,0,1,0|2,0,1]=4 1351 B10R1.27 CCC(C)OC1CCCO1 34a_100000085407_100011215416 [0,0,0,0,1,0|1,0,1]=3 1352 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [0,0,0,0,1,0|3,0,0]=4 1353 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [0,0,0,0,1,0|3,0,0]=4 1354 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [0,0,0,0,1,0|2,0,0]=3 1355 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [0,0,0,0,1,0|2,0,0]=3 1356 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [0,0,0,0,1,0|2,0,0]=3 1357 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [0,0,0,0,1,0|2,0,0]=3 1358 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [0,0,0,0,1,0|2,0,0]=3 1359 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [0,0,0,0,1,0|2,0,0]=3 1360 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [0,0,0,0,1,0|2,0,0]=3 1361 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [0,0,0,0,1,0|2,0,0]=3 1362 B10R1.27 CCN(C)CC1OCCO1 2230a_100000225621_100000755774 [0,0,0,0,1,0|3,0,0]=4 1363 B10R1.27 CCN(C)CC1OCCO1 2230a_200000032744_100000210202 [0,0,0,0,1,0|3,0,0]=4 1364 B10R1.27 CCN(C)CC1OCCO1 269982a_100000225621_100000755774 [0,0,0,0,1,0|3,0,0]=4 1365 B10R1.27 CCN(C)CC1OCCO1 269982a_200000032744_100000204670 [0,0,0,0,1,0|3,0,0]=4 1366 B10R1.27 CCN(C)CC1OCCO1 34a_200000032744_100000210202 [0,0,0,0,1,0|3,0,0]=4 1367 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [0,0,0,0,1,0|2,0,0]=3 1368 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [0,0,0,0,1,0|2,0,0]=3 1369 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [0,0,0,0,1,0|2,0,0]=3 1370 B10R1.27 CN(CF)CC1CCCO1 269982a_100102946541_100015361967 [0,0,0,0,1,0|3,0,0]=4 1371 B10R1.27 CN(CF)CC1CCCO1 34a_100102946541_100015361967 [0,0,0,0,1,0|3,0,0]=4 1372 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,0,0,0,1,0|2,0,1]=4 1373 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,0,0,0,1,0|2,0,1]=4 1374 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,0,0,0,1,0|2,0,1]=4 1375 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,0,0,0,1,0|2,0,1]=4 1376 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [0,0,0,0,1,0|2,0,1]=4 1377 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [0,0,0,0,1,0|2,0,1]=4 1378 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [0,0,0,0,1,0|2,0,1]=4 1379 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [0,0,0,0,1,0|2,0,1]=4 1380 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,0,0,0,1,0|2,0,0]=3 1381 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,0,0,0,1,0|2,0,0]=3 1382 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,0,0,0,1,0|2,0,0]=3 1383 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,0,0,0,1,0|2,0,0]=3 1384 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,0,0,0,1,0|3,0,0]=4 1385 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,0,0,0,1,0|3,0,0]=4 1386 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,0,0,0,1,0|3,0,0]=4 1387 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,0,0,0,1,0|3,0,0]=4 1388 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,0,0,0,1,0|3,0,0]=4 1389 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,0,0,0,1,0|3,0,0]=4 1390 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,0,0,0,1,0|3,0,0]=4 1391 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,0,0,0,1,0|3,0,0]=4 1392 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,0,0,0,1,0|3,0,0]=4 1393 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,0,0,0,1,0|3,0,0]=4 1394 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,0,0,0,1,0|3,0,0]=4 1395 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,0,0,0,1,0|3,0,0]=4 1396 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,0,0,0,1,0|3,0,0]=4 1397 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,0,0,0,1,0|3,0,0]=4 1398 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,0,0,0,1,0|3,0,0]=4 1399 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,0,0,0,1,0|3,0,0]=4 1400 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,0,0,0,1,0|2,0,1]=4 1401 B10R1.27 O=C(CF)CC1C=CCC1 1458a_100000212241_100015361967 [0,0,0,0,1,0|2,0,1]=4 1402 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,0,0,0,1,0|2,0,0]=3 1403 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [0,0,0,0,1,0|3,0,0]=4 1404 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,0,0,0,1,0|3,0,0]=4 1405 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,0,0,0,1,0|2,0,0]=3 1406 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,0,0,0,1,0|1,0,0]=2 1407 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,0,0,0,1,0|3,0,0]=4 1408 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,0,0,0,1,0|2,0,0]=3 1409 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,0,0,0,1,0|3,0,0]=4 1410 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,0,0,0,1,0|3,0,0]=4 1411 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,0,0,0,1,0|1,0,2]=4 1412 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,0,0,0,1,0|1,0,2]=4 1413 B10R1.151 C=CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000185746 [0,0,0,0,1,0|1,0,2]=4 1414 B10R1.151 C=CC(=O)NC[C@@H]1CCO1 240690a_100020831831_200121576911 [0,0,0,0,1,0|1,0,2]=4 1415 B10R1.151 CC(CF)OCC1CCC1 34a_100016041109_100000763275 [0,0,0,0,1,0|2,0,1]=4 1416 B10R1.151 CC(CF)OCC1CCC1 7a_100016041109_100000763275 [0,0,0,0,1,0|2,0,1]=4 1417 B10R1.151 CC(CF)OCC1CCO1 34a_100016041109_100000103362 [0,0,0,0,1,0|2,0,1]=4 1418 B10R1.151 CC(CF)OCC1CCO1 7a_100016041109_100000103362 [0,0,0,0,1,0|2,0,1]=4 1419 B10R1.151 CC(CN)OCC1CCC1 34a_100000210904_100000763275 [0,0,0,0,1,0|2,0,1]=4 1420 B10R1.151 CC(CN)OCC1CCO1 34a_100000210904_100000103362 [0,0,0,0,1,0|2,0,1]=4 1421 B10R1.151 CC(CO)OCC1CCC1 34a_100000760304_100012180447 [0,0,0,0,1,0|2,0,1]=4 1422 B10R1.151 CC(CO)OCC1CCO1 34a_100000039022_100012180447 [0,0,0,0,1,0|2,0,1]=4 1423 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,0,0,0,1,0|2,0,0]=3 1424 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [0,0,0,0,1,0|3,0,0]=4 1425 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [0,0,0,0,1,0|3,0,0]=4 1426 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,0,0,0,1,0|2,0,0]=3 1427 B10R1.151 CCC(=O)CSC1COC1 62a_100000747405_100009818527 [0,0,0,0,1,0|3,0,0]=4 1428 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,0,0,0,1,0|1,0,0]=2 1429 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,0,0,0,1,0|1,0,0]=2 1430 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,0,0,0,1,0|1,0,0]=2 1431 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,0,0,0,1,0|1,0,0]=2 1432 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,0,0,0,1,0|2,0,0]=3 1433 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,0,0,0,1,0|2,0,0]=3 1434 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,0,0,0,1,0|2,0,0]=3 1435 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,0,0,0,1,0|2,0,0]=3 1436 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,0,0,0,1,0|1,0,0]=2 1437 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,0,0,0,1,0|1,0,0]=2 1438 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,0,0,0,1,0|1,0,0]=2 1439 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,0,0,0,1,0|1,0,0]=2 1440 B10R1.151 CCC(=O)NN=C1CCC1 4a_100000183195_100000241760 [0,0,0,0,1,0|2,0,1]=4 1441 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [0,0,0,0,1,0|2,0,0]=3 1442 B10R1.151 CCC(=O)NNC1COC1 22a_100015188821_100000210414 [0,0,0,0,1,0|3,0,0]=4 1443 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [0,0,0,0,1,0|2,0,1]=4 1444 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [0,0,0,0,1,0|2,0,1]=4 1445 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [0,0,0,0,1,0|2,0,1]=4 1446 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [0,0,0,0,1,0|2,0,1]=4 1447 B10R1.151 CCC(C)NCC1CCO1 2230a_100000209981_100000103362 [0,0,0,0,1,0|2,0,1]=4 1448 B10R1.151 CCC(C)NC[C@@H]1CCO1 2230a_100020831831_100000758301 [0,0,0,0,1,0|2,0,1]=4 1449 B10R1.151 CCC(C)NC[C@@H]1CCO1 34a_100020831831_100011215416 [0,0,0,0,1,0|2,0,1]=4 1450 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,0,0,0,1,0|1,0,1]=3 1451 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,0,0,0,1,0|1,0,1]=3 1452 B10R1.151 CCC(C)OCC1CCO1 34a_100000039022_100011215416 [0,0,0,0,1,0|1,0,1]=3 1453 B10R1.151 CCC(C)OCC1CCO1 7a_100000210228_100000103362 [0,0,0,0,1,0|1,0,1]=3 1454 B10R1.151 CCC(C)OCC1CNC1 34a_100016987283_100011215416 [0,0,0,0,1,0|2,0,1]=4 1455 B10R1.151 CCC(C)OCC1COC1 34a_100000060846_100011215416 [0,0,0,0,1,0|2,0,1]=4 1456 B10R1.151 CCC(C)OCC1COC1 7a_100000210228_100010264016 [0,0,0,0,1,0|2,0,1]=4 1457 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [0,0,0,0,1,0|1,1,1]=4 1458 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [0,0,0,0,1,0|1,1,1]=4 1459 B10R1.151 CCC(C)SCC1CCO1 62a_100000103362_100000758301 [0,0,0,0,1,0|1,1,1]=4 1460 B10R1.151 CCC(C)SCC1CCO1 62a_100000758301_100000103362 [0,0,0,0,1,0|1,1,1]=4 1461 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,0,0,0,1,0|3,0,0]=4 1462 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,0,0,0,1,0|3,0,0]=4 1463 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,0,0,0,1,0|3,0,0]=4 1464 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,0,0,0,1,0|3,0,0]=4 1465 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,0,0,0,1,0|3,0,0]=4 1466 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,0,0,0,1,0|3,0,0]=4 1467 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,0,0,0,1,0|3,0,0]=4 1468 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,0,0,0,1,0|2,0,0]=3 1469 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,0,0,0,1,0|2,0,0]=3 1470 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,0,0,0,1,0|2,0,0]=3 1471 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,0,0,0,1,0|2,0,0]=3 1472 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,0,0,0,1,0|2,0,0]=3 1473 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,0,0,0,1,0|2,0,0]=3 1474 B10R1.151 CNC(=O)NCC1COC1 2708a_100015281925_106832991635 [0,0,0,0,1,0|3,0,0]=4 1475 B10R1.151 CNC(=O)NCC1COC1 2708a_100102657272_100015281925 [0,0,0,0,1,0|3,0,0]=4 1476 B10R1.151 CNC(=O)NCC1COC1 273464a_100015281925_100102657272 [0,0,0,0,1,0|3,0,0]=4 1477 B10R1.151 CNC(=O)NCC1COC1 273464a_100102657272_100015281925 [0,0,0,0,1,0|3,0,0]=4 1478 B10R1.151 CNC(=O)NCC1COC1 512a_100015281925_100102657272 [0,0,0,0,1,0|3,0,0]=4 1479 B10R1.151 CNC(=O)NCC1COC1 512a_106832991638_100015281925 [0,0,0,0,1,0|3,0,0]=4 1480 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100020831831_106832991635 [0,0,0,0,1,0|2,0,0]=3 1481 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100102657272_100020831831 [0,0,0,0,1,0|2,0,0]=3 1482 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100102657272 [0,0,0,0,1,0|2,0,0]=3 1483 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100102657272_100020831831 [0,0,0,0,1,0|2,0,0]=3 1484 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_100020831831_100102657272 [0,0,0,0,1,0|2,0,0]=3 1485 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_106832991638_100020831831 [0,0,0,0,1,0|2,0,0]=3 1486 B10R1.151 CNC(=O)NNC1CCC1 273464a_100102657272_100000736358 [0,0,0,0,1,0|3,0,0]=4 1487 B10R1.151 CNC(=O)NNC1CCC1 512a_100000736358_100102657272 [0,0,0,0,1,0|3,0,0]=4 1488 B10R1.151 CNC(=O)NNC1CCC1 512a_106832991638_100000736358 [0,0,0,0,1,0|3,0,0]=4 1489 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,0,0,0,1,0|3,0,0]=4 1490 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,0,0,0,1,0|3,0,0]=4 1491 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,0,0,0,1,0|3,0,0]=4 1492 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,0,0,0,1,0|3,0,0]=4 1493 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,0,0,0,1,0|3,0,0]=4 1494 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,0,0,0,1,0|2,0,0]=3 1495 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,0,0,0,1,0|2,0,0]=3 1496 B10R1.151 O=C(CO)NCC1COC1 240690a_100015281925_100000210174 [0,0,0,0,1,0|3,0,0]=4 1497 B10R1.151 O=C(CO)NCC1COC1 527a_100015281925_100000210174 [0,0,0,0,1,0|3,0,0]=4 1498 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,0,0,0,1,0|2,0,0]=3 1499 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,0,0,0,1,0|2,0,0]=3 1500 B10R1.151 O=C(CO)NNC1CCC1 22a_100000736358_100000210174 [0,0,0,0,1,0|3,0,0]=4 1501 B12R1.27 C#CC(=O)CCC1OCCCO1 1458a_100000211873_100000764188 [0,0,0,0,0,1|1,0,2]=4 1502 B12R1.27 C=CC(=O)CCC1OCCCO1 1458a_100000185746_100000764188 [0,0,0,0,0,1|1,0,2]=4 1503 B12R1.27 C=CC(=O)NCC1CCCCO1 1626a_100000174945_100000185746 [0,0,0,0,0,1|1,0,2]=4 1504 B12R1.27 C=CC(=O)NCC1CCCCO1 240690a_100000174945_200121576911 [0,0,0,0,0,1|1,0,2]=4 1505 B12R1.27 C=CC(=O)NCC1CCCOC1 1626a_100000720124_100000185746 [0,0,0,0,0,1|1,0,2]=4 1506 B12R1.27 C=CC(=O)NCC1CCCOC1 240690a_100000720124_200121576911 [0,0,0,0,0,1|1,0,2]=4 1507 B12R1.27 C=CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000185746 [0,0,0,0,0,1|1,0,2]=4 1508 B12R1.27 C=CC(=O)NC[C@H]1COCCO1 240690a_100010981119_200121576911 [0,0,0,0,0,1|1,0,2]=4 1509 B12R1.27 CC(CF)OCC1CCCCO1 34a_100016041109_100000211543 [0,0,0,0,0,1|2,0,1]=4 1510 B12R1.27 CC(CF)OCC1CCCCO1 7a_100016041109_100000211543 [0,0,0,0,0,1|2,0,1]=4 1511 B12R1.27 CC(CF)OCC1CCCOC1 34a_100016041109_100000741521 [0,0,0,0,0,1|2,0,1]=4 1512 B12R1.27 CC(CF)OCC1CCCOC1 7a_100016041109_100000741521 [0,0,0,0,0,1|2,0,1]=4 1513 B12R1.27 CC(CN)OCC1CCCCO1 34a_100000210904_100000211543 [0,0,0,0,0,1|2,0,1]=4 1514 B12R1.27 CC(CN)OCC1CCCOC1 34a_100000210904_100000741521 [0,0,0,0,0,1|2,0,1]=4 1515 B12R1.27 CC(CO)OCC1CCCCO1 34a_100000211370_100012180447 [0,0,0,0,0,1|2,0,1]=4 1516 B12R1.27 CC(CO)OCC1CCCCO1 7a_100000211370_100012180447 [0,0,0,0,0,1|2,0,1]=4 1517 B12R1.27 CC(CO)OCC1CCCOC1 34a_100000741520_100012180447 [0,0,0,0,0,1|2,0,1]=4 1518 B12R1.27 CC(CO)OC[C@@H]1CNCCO1 34a_100015189573_100012180447 [0,0,0,0,0,1|2,0,1]=4 1519 B12R1.27 CC(CO)OC[C@H]1COCCO1 34a_100009875890_100012180447 [0,0,0,0,0,1|2,0,1]=4 1520 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,0,0,0,0,1|2,0,1]=4 1521 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,0,0,0,0,1|2,0,0]=3 1522 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,0,0,0,0,1|2,0,0]=3 1523 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,0,0,0,0,1|2,0,0]=3 1524 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [0,0,0,0,0,1|1,0,0]=2 1525 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,0,0,0,0,1|3,0,0]=4 1526 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,0,0,0,0,1|3,0,0]=4 1527 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [0,0,0,0,0,1|2,0,0]=3 1528 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000210414_100000753993 [0,0,0,0,0,1|3,0,0]=4 1529 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000749337_100000210202 [0,0,0,0,0,1|3,0,0]=4 1530 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,0,0,0,0,1|3,0,0]=4 1531 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,0,0,0,0,1|3,0,0]=4 1532 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,0,0,0,0,1|3,0,0]=4 1533 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,0,0,0,0,1|3,0,0]=4 1534 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,0,0,0,0,1|2,0,0]=3 1535 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [0,0,0,0,0,1|2,1,0]=4 1536 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [0,0,0,0,0,1|3,0,0]=4 1537 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [0,0,0,0,0,1|3,0,0]=4 1538 B12R1.27 CCC(=O)CSC1C=CCCC1 62a_100000747405_100000751183 [0,0,0,0,0,1|3,0,0]=4 1539 B12R1.27 CCC(=O)CSC1C=CCCC1 62a_100000751183_100000747405 [0,0,0,0,0,1|3,0,0]=4 1540 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,0,0,0,0,1|3,0,0]=4 1541 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,0,0,0,0,1|3,0,0]=4 1542 B12R1.27 CCC(=O)CSC1CCCOC1 62a_100000747405_100000693364 [0,0,0,0,0,1|2,0,0]=3 1543 B12R1.27 CCC(=O)CSC1CCOCC1 62a_100000747405_100011324220 [0,0,0,0,0,1|3,0,0]=4 1544 B12R1.27 CCC(=O)CSC1CCSCC1 62a_100000747405_100000069128 [0,0,0,0,0,1|3,0,0]=4 1545 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,0,0,0,0,1|2,0,0]=3 1546 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,0,0,0,0,1|2,0,0]=3 1547 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,0,0,0,0,1|2,0,0]=3 1548 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,0,0,0,0,1|2,0,0]=3 1549 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,0,0,0,0,1|1,0,0]=2 1550 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,0,0,0,0,1|1,0,0]=2 1551 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,0,0,0,0,1|1,0,0]=2 1552 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,0,0,0,0,1|1,0,0]=2 1553 B12R1.27 CCC(=O)NCC1CCCOC1 11a_100000720124_100000210414 [0,0,0,0,0,1|1,0,0]=2 1554 B12R1.27 CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210414 [0,0,0,0,0,1|1,0,0]=2 1555 B12R1.27 CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210414 [0,0,0,0,0,1|1,0,0]=2 1556 B12R1.27 CCC(=O)NCC1CCCOC1 527a_100000720124_100000210414 [0,0,0,0,0,1|1,0,0]=2 1557 B12R1.27 CCC(=O)NCC1CCOCC1 11a_100000746373_100000210414 [0,0,0,0,0,1|2,0,0]=3 1558 B12R1.27 CCC(=O)NCC1CCOCC1 1626a_100000746373_100000210414 [0,0,0,0,0,1|2,0,0]=3 1559 B12R1.27 CCC(=O)NCC1CCOCC1 240690a_100000746373_100000210414 [0,0,0,0,0,1|2,0,0]=3 1560 B12R1.27 CCC(=O)NCC1CCOCC1 527a_100000746373_100000210414 [0,0,0,0,0,1|2,0,0]=3 1561 B12R1.27 CCC(=O)NCC1CCSCC1 11a_100015188806_100000210414 [0,0,0,0,0,1|2,0,0]=3 1562 B12R1.27 CCC(=O)NCC1CCSCC1 240690a_100015188806_100000210414 [0,0,0,0,0,1|2,0,0]=3 1563 B12R1.27 CCC(=O)NCC1CCSCC1 527a_100015188806_100000210414 [0,0,0,0,0,1|2,0,0]=3 1564 B12R1.27 CCC(=O)NC[C@H]1COCCO1 11a_100010981119_100000210414 [0,0,0,0,0,1|1,0,0]=2 1565 B12R1.27 CCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000210414 [0,0,0,0,0,1|1,0,0]=2 1566 B12R1.27 CCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000210414 [0,0,0,0,0,1|1,0,0]=2 1567 B12R1.27 CCC(=O)NC[C@H]1COCCO1 527a_100010981119_100000210414 [0,0,0,0,0,1|1,0,0]=2 1568 B12R1.27 CCC(=O)NN=C1CCCOC1 4a_100000183195_100000753404 [0,0,0,0,0,1|2,0,1]=4 1569 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,0,0,0,0,1|3,0,0]=4 1570 B12R1.27 CCC(=O)NNC1CCOCC1 22a_100000687383_100000210414 [0,0,0,0,0,1|3,0,0]=4 1571 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000174945_100000758301 [0,0,0,0,0,1|2,0,1]=4 1572 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000209981_100000211543 [0,0,0,0,0,1|2,0,1]=4 1573 B12R1.27 CCC(C)NCC1CCCCO1 34a_100000174945_100011215416 [0,0,0,0,0,1|2,0,1]=4 1574 B12R1.27 CCC(C)NCC1CCCOC1 2230a_100000209981_100000741521 [0,0,0,0,0,1|2,0,1]=4 1575 B12R1.27 CCC(C)NCC1CCCOC1 2230a_100000720124_100000758301 [0,0,0,0,0,1|2,0,1]=4 1576 B12R1.27 CCC(C)NCC1CCCOC1 34a_100000720124_100011215416 [0,0,0,0,0,1|2,0,1]=4 1577 B12R1.27 CCC(C)NC[C@H]1COCCO1 2230a_100010981119_100000758301 [0,0,0,0,0,1|2,0,1]=4 1578 B12R1.27 CCC(C)NC[C@H]1COCCO1 34a_100010981119_100011215416 [0,0,0,0,0,1|2,0,1]=4 1579 B12R1.27 CCC(C)OCC1CCC=CO1 34a_100011217868_100011215416 [0,0,0,0,0,1|1,0,2]=4 1580 B12R1.27 CCC(C)OCC1CCCCC1 34a_100000212181_100011215416 [0,0,0,0,0,1|2,0,1]=4 1581 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000210228_100000211423 [0,0,0,0,0,1|2,0,1]=4 1582 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000212181_100000758301 [0,0,0,0,0,1|2,0,1]=4 1583 B12R1.27 CCC(C)OCC1CCCCN1 34a_100000210821_100011215416 [0,0,0,0,0,1|2,0,1]=4 1584 B12R1.27 CCC(C)OCC1CCCCO1 34a_100000211370_100011215416 [0,0,0,0,0,1|1,0,1]=3 1585 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000210228_100000211543 [0,0,0,0,0,1|1,0,1]=3 1586 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000211370_100000758301 [0,0,0,0,0,1|1,0,1]=3 1587 B12R1.27 CCC(C)OCC1CCCNC1 34a_100000211344_100011215416 [0,0,0,0,0,1|2,0,1]=4 1588 B12R1.27 CCC(C)OCC1CCCOC1 34a_100000741520_100011215416 [0,0,0,0,0,1|1,0,1]=3 1589 B12R1.27 CCC(C)OCC1CCCOC1 7a_100000210228_100000741521 [0,0,0,0,0,1|1,0,1]=3 1590 B12R1.27 CCC(C)OCC1CCNCC1 34a_100000738675_100011215416 [0,0,0,0,0,1|2,0,1]=4 1591 B12R1.27 CCC(C)OCC1CCOCC1 34a_100000749013_100011215416 [0,0,0,0,0,1|2,0,1]=4 1592 B12R1.27 CCC(C)OCC1CCOCC1 7a_100000210228_100000754603 [0,0,0,0,0,1|2,0,1]=4 1593 B12R1.27 CCC(C)OCC1CCSCC1 34a_100000070558_100011215416 [0,0,0,0,0,1|2,0,1]=4 1594 B12R1.27 CCC(C)OCC1CCSCC1 7a_100000070558_100000758301 [0,0,0,0,0,1|2,0,1]=4 1595 B12R1.27 CCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100011215416 [0,0,0,0,0,1|1,0,1]=3 1596 B12R1.27 CCC(C)OC[C@@H]1COCCN1 34a_100000717676_100011215416 [0,0,0,0,0,1|2,0,1]=4 1597 B12R1.27 CCC(C)OC[C@H]1COCCO1 34a_100009875890_100011215416 [0,0,0,0,0,1|1,0,1]=3 1598 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000211543_100000758301 [0,0,0,0,0,1|1,1,1]=4 1599 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000758301_100000211543 [0,0,0,0,0,1|1,1,1]=4 1600 B12R1.27 CCC(C)SCC1CCCOC1 62a_100000741521_100000758301 [0,0,0,0,0,1|1,1,1]=4 1601 B12R1.27 CCC(C)SCC1CCCOC1 62a_100000758301_100000741521 [0,0,0,0,0,1|1,1,1]=4 1602 B12R1.27 CCN(C)CCC1CCCCO1 2230a_100015183322_100000210202 [0,0,0,0,0,1|3,0,0]=4 1603 B12R1.27 CCN(C)CCC1CCCCO1 269982a_100015183322_100000204670 [0,0,0,0,0,1|3,0,0]=4 1604 B12R1.27 CCN(C)CCC1CCCCO1 34a_100015183322_100000210202 [0,0,0,0,0,1|3,0,0]=4 1605 B12R1.27 CCN(C)CCC1OCCCO1 2230a_100000225621_100000764188 [0,0,0,0,0,1|3,0,0]=4 1606 B12R1.27 CCN(C)CCC1OCCCO1 269982a_100000225621_100000764188 [0,0,0,0,0,1|3,0,0]=4 1607 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,0,0,0,0,1|3,0,0]=4 1608 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,0,0,0,0,1|3,0,0]=4 1609 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,0,0,0,0,1|3,0,0]=4 1610 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,0,0,0,0,1|3,0,0]=4 1611 B12R1.27 CNC(=O)CCN1CCCCO1 240690a_100102657272_200015184090 [0,0,0,0,0,1|3,0,0]=4 1612 B12R1.27 CNC(=O)CCN1CCCOC1 2230a_100000131196_100000737683 [0,0,0,0,0,1|3,0,0]=4 1613 B12R1.27 CNC(=O)CCN1CCCOC1 269982a_100000131196_100000737683 [0,0,0,0,0,1|3,0,0]=4 1614 B12R1.27 CNC(=O)CCN1CCCOC1 34a_100000131196_100012179268 [0,0,0,0,0,1|3,0,0]=4 1615 B12R1.27 CNC(=O)CNC1CCCOC1 2230a_100000719290_100000183359 [0,0,0,0,0,1|3,0,0]=4 1616 B12R1.27 CNC(=O)CNC1CCCOC1 270004a_100000693194_100000753404 [0,0,0,0,0,1|3,0,0]=4 1617 B12R1.27 CNC(=O)CNC1CCCOC1 34a_100000719290_100000183359 [0,0,0,0,0,1|3,0,0]=4 1618 B12R1.27 CNC(=O)COC1CCCCO1 34a_100000033831_100000183359 [0,0,0,0,0,1|3,0,0]=4 1619 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000750040_100000693364 [0,0,0,0,0,1|3,0,0]=4 1620 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000754041_100000183359 [0,0,0,0,0,1|3,0,0]=4 1621 B12R1.27 CNC(=O)CSC1CCCOC1 62a_100000183359_100000693364 [0,0,0,0,0,1|3,0,0]=4 1622 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,0,0,0,0,1|3,0,0]=4 1623 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,0,0,0,0,1|3,0,0]=4 1624 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,0,0,0,0,1|3,0,0]=4 1625 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,0,0,0,0,1|3,0,0]=4 1626 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,0,0,0,0,1|3,0,0]=4 1627 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,0,0,0,0,1|2,0,0]=3 1628 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,0,0,0,0,1|2,0,0]=3 1629 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,0,0,0,0,1|2,0,0]=3 1630 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,0,0,0,0,1|2,0,0]=3 1631 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,0,0,0,0,1|2,0,0]=3 1632 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,0,0,0,0,1|2,0,0]=3 1633 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100000720124_106832991635 [0,0,0,0,0,1|2,0,0]=3 1634 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100102657272_100000720124 [0,0,0,0,0,1|2,0,0]=3 1635 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100000720124_100102657272 [0,0,0,0,0,1|2,0,0]=3 1636 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100102657272_100000720124 [0,0,0,0,0,1|2,0,0]=3 1637 B12R1.27 CNC(=O)NCC1CCCOC1 512a_100000720124_100102657272 [0,0,0,0,0,1|2,0,0]=3 1638 B12R1.27 CNC(=O)NCC1CCCOC1 512a_106832991638_100000720124 [0,0,0,0,0,1|2,0,0]=3 1639 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100000746373_106832991635 [0,0,0,0,0,1|3,0,0]=4 1640 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100102657272_100000746373 [0,0,0,0,0,1|3,0,0]=4 1641 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100000746373_100102657272 [0,0,0,0,0,1|3,0,0]=4 1642 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100102657272_100000746373 [0,0,0,0,0,1|3,0,0]=4 1643 B12R1.27 CNC(=O)NCC1CCOCC1 512a_100000746373_100102657272 [0,0,0,0,0,1|3,0,0]=4 1644 B12R1.27 CNC(=O)NCC1CCOCC1 512a_106832991638_100000746373 [0,0,0,0,0,1|3,0,0]=4 1645 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100015188806_106832991635 [0,0,0,0,0,1|3,0,0]=4 1646 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100102657272_100015188806 [0,0,0,0,0,1|3,0,0]=4 1647 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100015188806_100102657272 [0,0,0,0,0,1|3,0,0]=4 1648 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100102657272_100015188806 [0,0,0,0,0,1|3,0,0]=4 1649 B12R1.27 CNC(=O)NCC1CCSCC1 512a_100015188806_100102657272 [0,0,0,0,0,1|3,0,0]=4 1650 B12R1.27 CNC(=O)NCC1CCSCC1 512a_106832991638_100015188806 [0,0,0,0,0,1|3,0,0]=4 1651 B12R1.27 CNC(=O)NC[C@H]1COCCO1 2708a_100010981119_106832991635 [0,0,0,0,0,1|2,0,0]=3 1652 B12R1.27 CNC(=O)NC[C@H]1COCCO1 2708a_100102657272_100010981119 [0,0,0,0,0,1|2,0,0]=3 1653 B12R1.27 CNC(=O)NC[C@H]1COCCO1 273464a_100010981119_100102657272 [0,0,0,0,0,1|2,0,0]=3 1654 B12R1.27 CNC(=O)NC[C@H]1COCCO1 273464a_100102657272_100010981119 [0,0,0,0,0,1|2,0,0]=3 1655 B12R1.27 CNC(=O)NC[C@H]1COCCO1 512a_100010981119_100102657272 [0,0,0,0,0,1|2,0,0]=3 1656 B12R1.27 CNC(=O)NC[C@H]1COCCO1 512a_106832991638_100010981119 [0,0,0,0,0,1|2,0,0]=3 1657 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [0,0,0,0,0,1|3,0,0]=4 1658 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [0,0,0,0,0,1|3,0,0]=4 1659 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [0,0,0,0,0,1|3,0,0]=4 1660 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,0,0,0,0,1|3,0,0]=4 1661 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,0,0,0,0,1|3,0,0]=4 1662 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,0,0,0,0,1|3,0,0]=4 1663 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,0,0,0,0,1|3,0,0]=4 1664 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,0,0,0,0,1|3,0,0]=4 1665 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,0,0,0,0,1|3,0,0]=4 1666 B12R1.27 O=C(CF)CCN1CCCCO1 1458a_200015184090_100015361967 [0,0,0,0,0,1|3,0,0]=4 1667 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,0,0,0,0,1|3,0,0]=4 1668 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,0,0,0,0,1|3,0,0]=4 1669 B12R1.27 O=C(CO)CCC1OCCCO1 1458a_100000210174_100000764188 [0,0,0,0,0,1|2,0,0]=3 1670 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,0,0,0,0,1|3,0,0]=4 1671 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,0,0,0,0,1|3,0,0]=4 1672 B12R1.27 O=C(CO)NCC1CCCCO1 240690a_100000174945_100000210174 [0,0,0,0,0,1|2,0,0]=3 1673 B12R1.27 O=C(CO)NCC1CCCCO1 527a_100000174945_100000210174 [0,0,0,0,0,1|2,0,0]=3 1674 B12R1.27 O=C(CO)NCC1CCCOC1 240690a_100000720124_100000210174 [0,0,0,0,0,1|2,0,0]=3 1675 B12R1.27 O=C(CO)NCC1CCCOC1 527a_100000720124_100000210174 [0,0,0,0,0,1|2,0,0]=3 1676 B12R1.27 O=C(CO)NCC1CCOCC1 240690a_100000746373_100000210174 [0,0,0,0,0,1|3,0,0]=4 1677 B12R1.27 O=C(CO)NCC1CCOCC1 527a_100000746373_100000210174 [0,0,0,0,0,1|3,0,0]=4 1678 B12R1.27 O=C(CO)NCC1CCSCC1 240690a_100015188806_100000210174 [0,0,0,0,0,1|3,0,0]=4 1679 B12R1.27 O=C(CO)NCC1CCSCC1 527a_100015188806_100000210174 [0,0,0,0,0,1|3,0,0]=4 1680 B12R1.27 O=C(CO)NC[C@H]1COCCO1 240690a_100010981119_100000210174 [0,0,0,0,0,1|2,0,0]=3 1681 B12R1.27 O=C(CO)NC[C@H]1COCCO1 527a_100010981119_100000210174 [0,0,0,0,0,1|2,0,0]=3 1682 B12R1.477 C=C(C#N)COCC1CCCO1 34a_100000210270_100000694840 [0,0,0,0,0,1|2,0,1]=4 1683 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,0,0,0,0,1|2,0,0]=3 1684 B12R1.477 CCC(=O)CCCC1OCCO1 1458a_100000210414_100000042513 [0,0,0,0,0,1|2,0,0]=3 1685 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,0,0,0,0,1|3,0,0]=4 1686 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,0,0,0,0,1|3,0,0]=4 1687 B12R1.477 CCC(=O)COCC1=NCCN1 34a_100000725409_100000737910 [0,0,0,0,0,1|2,0,1]=4 1688 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,0,0,0,0,1|1,0,0]=2 1689 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,0,0,0,0,1|1,0,0]=2 1690 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [0,0,0,0,0,1|0,0,0]=1 1691 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [0,0,0,0,0,1|0,0,0]=1 1692 B12R1.477 CCC(=O)COCC1CCOC1 34a_100000725409_100011261433 [0,0,0,0,0,1|2,0,0]=3 1693 B12R1.477 CCC(=O)COCC1OCCO1 34a_100000725409_100000755774 [0,0,0,0,0,1|1,0,0]=2 1694 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,0,0,0,0,1|1,1,0]=3 1695 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,0,0,0,0,1|1,1,0]=3 1696 B12R1.477 CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210202 [0,0,0,0,0,1|0,1,0]=2 1697 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000203698_100000747405 [0,0,0,0,0,1|0,1,0]=2 1698 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000747405_100000203698 [0,0,0,0,0,1|0,1,0]=2 1699 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000702531_100000747405 [0,0,0,0,0,1|2,1,0]=4 1700 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000747405_100000702531 [0,0,0,0,0,1|2,1,0]=4 1701 B12R1.477 CCC(=O)CSCC1OCCO1 62a_100000747405_100000755774 [0,0,0,0,0,1|1,1,0]=3 1702 B12R1.477 CCC(=O)CSCC1OCCO1 62a_100000755774_100000747405 [0,0,0,0,0,1|1,1,0]=3 1703 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,0,0,0,0,1|2,0,0]=3 1704 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,0,0,0,0,1|2,0,0]=3 1705 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,0,0,0,0,1|2,0,0]=3 1706 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,0,0,0,0,1|2,0,0]=3 1707 B12R1.477 CCC(=O)NCCC1OCCO1 11a_100000034215_100000210414 [0,0,0,0,0,1|2,0,0]=3 1708 B12R1.477 CCC(=O)NCCC1OCCO1 1626a_100000034215_100000210414 [0,0,0,0,0,1|2,0,0]=3 1709 B12R1.477 CCC(=O)NCCC1OCCO1 240690a_100000034215_100000210414 [0,0,0,0,0,1|2,0,0]=3 1710 B12R1.477 CCC(=O)NCCC1OCCO1 527a_100000034215_100000210414 [0,0,0,0,0,1|2,0,0]=3 1711 B12R1.477 CCC(=O)NCCN1CCCC1 240690a_100000212299_100000210414 [0,0,0,0,0,1|3,0,0]=4 1712 B12R1.477 CCC(=O)NN=CC1CCCC1 4a_100000183195_100000746403 [0,0,0,0,0,1|2,0,1]=4 1713 B12R1.477 CCC(C)CNCC1CCCO1 2230a_100020588543_100000203698 [0,0,0,0,0,1|2,0,1]=4 1714 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000748023 [0,0,0,0,0,1|2,0,1]=4 1715 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000243153 [0,0,0,0,0,1|2,0,1]=4 1716 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000748023 [0,0,0,0,0,1|2,0,1]=4 1717 B12R1.477 CCC(C)COCC1CCCC1 34a_100000742336_100000748023 [0,0,0,0,0,1|2,0,1]=4 1718 B12R1.477 CCC(C)COCC1CCCC1 7a_100000742336_100000748023 [0,0,0,0,0,1|2,0,1]=4 1719 B12R1.477 CCC(C)COCC1CCCO1 34a_100000210270_100000748023 [0,0,0,0,0,1|1,0,1]=3 1720 B12R1.477 CCC(C)COCC1CCCO1 7a_100000210270_100000748023 [0,0,0,0,0,1|1,0,1]=3 1721 B12R1.477 CCC(C)COCC1COCO1 34a_100011216627_100000748023 [0,0,0,0,0,1|2,0,1]=4 1722 B12R1.477 CCC(C)COCC1OCCO1 34a_100000087154_100000748023 [0,0,0,0,0,1|2,0,1]=4 1723 B12R1.477 CCC(C)COC[C@H]1CCCN1 34a_100000745186_100000748023 [0,0,0,0,0,1|2,0,1]=4 1724 B12R1.477 CCC(C)CSCC1CCCO1 62a_100000203698_100000748023 [0,0,0,0,0,1|1,1,1]=4 1725 B12R1.477 CCC(C)CSCC1CCCO1 62a_100000748023_100000203698 [0,0,0,0,0,1|1,1,1]=4 1726 B12R1.477 CCC(C)OCCC1CCCC1 34a_100000749090_100011215416 [0,0,0,0,0,1|2,0,1]=4 1727 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000210228_100000760354 [0,0,0,0,0,1|2,0,1]=4 1728 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000749090_100000758301 [0,0,0,0,0,1|2,0,1]=4 1729 B12R1.477 CCC(C)OCCC1OCCO1 7a_100000210228_100000740749 [0,0,0,0,0,1|2,0,1]=4 1730 B12R1.477 CCC(O)CNCC1CCCO1 2230a_100011218483_100000203698 [0,0,0,0,0,1|1,0,2]=4 1731 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218378 [0,0,0,0,0,1|1,0,2]=4 1732 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218378 [0,0,0,0,0,1|1,0,2]=4 1733 B12R1.477 CCC(O)COCC1CCCC1 34a_100000742336_100011218378 [0,0,0,0,0,1|1,0,2]=4 1734 B12R1.477 CCC(O)COCC1CCCC1 7a_100000742336_100011218378 [0,0,0,0,0,1|1,0,2]=4 1735 B12R1.477 CCC(O)COCC1CCCO1 34a_100000210270_100011218378 [0,0,0,0,0,1|0,0,2]=3 1736 B12R1.477 CCC(O)COCC1CCCO1 7a_100000210270_100011218378 [0,0,0,0,0,1|0,0,2]=3 1737 B12R1.477 CCC(O)COCC1COCO1 34a_100011216627_100011218378 [0,0,0,0,0,1|1,0,2]=4 1738 B12R1.477 CCC(O)COCC1OCCO1 34a_100000087154_100011218378 [0,0,0,0,0,1|1,0,2]=4 1739 B12R1.477 CCC(O)COC[C@H]1CCCN1 34a_100000745186_100011218378 [0,0,0,0,0,1|1,0,2]=4 1740 B12R1.477 CCC(O)CSCC1CCCO1 62a_100000203698_100011218378 [0,0,0,0,0,1|0,1,2]=4 1741 B12R1.477 CCC(O)CSCC1CCCO1 62a_100011218378_100000203698 [0,0,0,0,0,1|0,1,2]=4 1742 B12R1.477 CCN(C)CCCC1CCCO1 2230a_100011698863_100000210202 [0,0,0,0,0,1|3,0,0]=4 1743 B12R1.477 CCN(C)CCCC1CCCO1 269982a_100011698863_100000204670 [0,0,0,0,0,1|3,0,0]=4 1744 B12R1.477 CCN(C)CCCC1CCCO1 34a_100011698863_100000210202 [0,0,0,0,0,1|3,0,0]=4 1745 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 2230a_100020590478_100009816398 [0,0,0,0,0,1|2,0,1]=4 1746 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 34a_100020590478_100009816398 [0,0,0,0,0,1|2,0,1]=4 1747 B12R1.477 CC[C@H](C)COCC1CCCC1 34a_100000742336_100009816398 [0,0,0,0,0,1|2,0,1]=4 1748 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100000742336_100009816398 [0,0,0,0,0,1|2,0,1]=4 1749 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100009816381_100000740388 [0,0,0,0,0,1|2,0,1]=4 1750 B12R1.477 CC[C@H](C)COCC1CCCO1 34a_100000210270_100009816398 [0,0,0,0,0,1|1,0,1]=3 1751 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100000210270_100009816398 [0,0,0,0,0,1|1,0,1]=3 1752 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100009816381_100000203698 [0,0,0,0,0,1|1,0,1]=3 1753 B12R1.477 CC[C@H](C)COCC1COCO1 34a_100011216627_100009816398 [0,0,0,0,0,1|2,0,1]=4 1754 B12R1.477 CC[C@H](C)COCC1OCCO1 34a_100000087154_100009816398 [0,0,0,0,0,1|2,0,1]=4 1755 B12R1.477 CC[C@H](C)COCC1OCCO1 7a_100009816381_100000755774 [0,0,0,0,0,1|2,0,1]=4 1756 B12R1.477 CC[C@H](C)COC[C@H]1CCCN1 34a_100000745186_100009816398 [0,0,0,0,0,1|2,0,1]=4 1757 B12R1.477 CC[C@H](C)CSCC1CCCO1 62a_100000203698_100009816398 [0,0,0,0,0,1|1,1,1]=4 1758 B12R1.477 CC[C@H](C)CSCC1CCCO1 62a_100009816398_100000203698 [0,0,0,0,0,1|1,1,1]=4 1759 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [0,0,0,0,0,1|3,0,0]=4 1760 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [0,0,0,0,0,1|3,0,0]=4 1761 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [0,0,0,0,0,1|3,0,0]=4 1762 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [0,0,0,0,0,1|3,0,0]=4 1763 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [0,0,0,0,0,1|3,0,0]=4 1764 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,0,0,0,0,1|3,0,0]=4 1765 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,0,0,0,0,1|3,0,0]=4 1766 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,0,0,0,0,1|3,0,0]=4 1767 B12R1.477 CNC(=O)CCOC1CCCO1 34a_100000085407_100012179268 [0,0,0,0,0,1|2,0,0]=3 1768 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [0,0,0,0,0,1|3,0,0]=4 1769 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [0,0,0,0,0,1|3,0,0]=4 1770 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,0,0,0,0,1|3,0,0]=4 1771 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,0,0,0,0,1|3,0,0]=4 1772 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,0,0,0,0,1|3,0,0]=4 1773 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,0,0,0,0,1|3,0,0]=4 1774 B12R1.477 CNC(=O)CNCC1CCCO1 2230a_100000693194_100000203698 [0,0,0,0,0,1|2,0,0]=3 1775 B12R1.477 CNC(=O)CNCC1OCCO1 2230a_100000036311_100000183359 [0,0,0,0,0,1|3,0,0]=4 1776 B12R1.477 CNC(=O)CNCC1OCCO1 2230a_100000693194_100000755774 [0,0,0,0,0,1|3,0,0]=4 1777 B12R1.477 CNC(=O)CNCC1OCCO1 34a_100000036311_100000183359 [0,0,0,0,0,1|3,0,0]=4 1778 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183359 [0,0,0,0,0,1|2,0,0]=3 1779 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183359 [0,0,0,0,0,1|2,0,0]=3 1780 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,0,0,0,0,1|2,0,0]=3 1781 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,0,0,0,0,1|2,0,0]=3 1782 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,0,0,0,0,1|2,0,0]=3 1783 B12R1.477 CNC(=O)COCC1CCCO1 11a_106832991635_100011223388 [0,0,0,0,0,1|1,0,0]=2 1784 B12R1.477 CNC(=O)COCC1CCCO1 1626a_100102657272_100011223388 [0,0,0,0,0,1|1,0,0]=2 1785 B12R1.477 CNC(=O)COCC1CCCO1 240690a_100102657272_100011223388 [0,0,0,0,0,1|1,0,0]=2 1786 B12R1.477 CNC(=O)COCC1CCCO1 34a_100000210270_100000183359 [0,0,0,0,0,1|1,0,0]=2 1787 B12R1.477 CNC(=O)COCC1CCCO1 527a_100102657272_100011223388 [0,0,0,0,0,1|1,0,0]=2 1788 B12R1.477 CNC(=O)COCC1CCCO1 7a_100000210270_100000183359 [0,0,0,0,0,1|1,0,0]=2 1789 B12R1.477 CNC(=O)COCC1CCNC1 34a_100000748654_100000183359 [0,0,0,0,0,1|3,0,0]=4 1790 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000740260_100000183359 [0,0,0,0,0,1|3,0,0]=4 1791 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000750040_100011261433 [0,0,0,0,0,1|3,0,0]=4 1792 B12R1.477 CNC(=O)COCC1COCO1 34a_100011216627_100000183359 [0,0,0,0,0,1|2,0,0]=3 1793 B12R1.477 CNC(=O)COCC1OCCO1 34a_100000087154_100000183359 [0,0,0,0,0,1|2,0,0]=3 1794 B12R1.477 CNC(=O)COCC1OCCO1 34a_100000750040_100000755774 [0,0,0,0,0,1|2,0,0]=3 1795 B12R1.477 CNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183359 [0,0,0,0,0,1|2,0,0]=3 1796 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,0,0,0,0,1|2,1,0]=4 1797 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,0,0,0,0,1|2,1,0]=4 1798 B12R1.477 CNC(=O)CSCC1CCCO1 11a_106832991635_100000217298 [0,0,0,0,0,1|1,1,0]=3 1799 B12R1.477 CNC(=O)CSCC1CCCO1 1626a_100102657272_100000217298 [0,0,0,0,0,1|1,1,0]=3 1800 B12R1.477 CNC(=O)CSCC1CCCO1 240690a_100102657272_100000217298 [0,0,0,0,0,1|1,1,0]=3 1801 B12R1.477 CNC(=O)CSCC1CCCO1 527a_100102657272_100000217298 [0,0,0,0,0,1|1,1,0]=3 1802 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000183359_100000203698 [0,0,0,0,0,1|1,1,0]=3 1803 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000203698_100000183359 [0,0,0,0,0,1|1,1,0]=3 1804 B12R1.477 CNC(=O)CSCC1OCCO1 62a_100000183359_100000755774 [0,0,0,0,0,1|2,1,0]=4 1805 B12R1.477 CNC(=O)CSCC1OCCO1 62a_100000755774_100000183359 [0,0,0,0,0,1|2,1,0]=4 1806 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,0,0,0,0,1|3,0,0]=4 1807 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,0,0,0,0,1|3,0,0]=4 1808 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,0,0,0,0,1|3,0,0]=4 1809 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,0,0,0,0,1|3,0,0]=4 1810 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,0,0,0,0,1|3,0,0]=4 1811 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,0,0,0,0,1|3,0,0]=4 1812 B12R1.477 CNC(=O)NCCC1OCCO1 2708a_100000034215_106832991635 [0,0,0,0,0,1|3,0,0]=4 1813 B12R1.477 CNC(=O)NCCC1OCCO1 2708a_100102657272_100000034215 [0,0,0,0,0,1|3,0,0]=4 1814 B12R1.477 CNC(=O)NCCC1OCCO1 273464a_100000034215_100102657272 [0,0,0,0,0,1|3,0,0]=4 1815 B12R1.477 CNC(=O)NCCC1OCCO1 273464a_100102657272_100000034215 [0,0,0,0,0,1|3,0,0]=4 1816 B12R1.477 CNC(=O)NCCC1OCCO1 512a_100000034215_100102657272 [0,0,0,0,0,1|3,0,0]=4 1817 B12R1.477 CNC(=O)NCCC1OCCO1 512a_106832991638_100000034215 [0,0,0,0,0,1|3,0,0]=4 1818 B12R1.477 CNC(=O)OCCN1CCCC1 269982a_100000188435_200011997002 [0,0,0,0,0,1|3,0,0]=4 1819 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,0,0,0,0,1|3,0,0]=4 1820 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,0,0,0,0,1|3,0,0]=4 1821 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,0,0,0,0,1|3,0,0]=4 1822 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,0,0,0,0,1|3,0,0]=4 1823 B12R1.477 COC(=O)CCOC1CCCO1 34a_100000085407_100000742370 [0,0,0,0,0,1|2,0,0]=3 1824 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,0,0,0,0,1|3,0,0]=4 1825 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,0,0,0,0,1|3,0,0]=4 1826 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,0,0,0,0,1|3,0,0]=4 1827 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,0,0,0,0,1|3,0,0]=4 1828 B12R1.477 COC(=O)CNCC1OCCO1 2230a_100000036311_100000747449 [0,0,0,0,0,1|3,0,0]=4 1829 B12R1.477 COC(=O)CNCC1OCCO1 34a_100000036311_100000747449 [0,0,0,0,0,1|3,0,0]=4 1830 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [0,0,0,0,0,1|2,0,0]=3 1831 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [0,0,0,0,0,1|2,0,0]=3 1832 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,0,0,0,0,1|2,0,0]=3 1833 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,0,0,0,0,1|2,0,0]=3 1834 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [0,0,0,0,0,1|1,0,0]=2 1835 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [0,0,0,0,0,1|1,0,0]=2 1836 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [0,0,0,0,0,1|3,0,0]=4 1837 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [0,0,0,0,0,1|3,0,0]=4 1838 B12R1.477 COC(=O)COCC1COCO1 34a_100011216627_100000747449 [0,0,0,0,0,1|2,0,0]=3 1839 B12R1.477 COC(=O)COCC1OCCO1 34a_100000087154_100000747449 [0,0,0,0,0,1|2,0,0]=3 1840 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [0,0,0,0,0,1|2,0,0]=3 1841 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,0,0,0,0,1|2,1,0]=4 1842 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,0,0,0,0,1|2,1,0]=4 1843 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [0,0,0,0,0,1|1,1,0]=3 1844 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [0,0,0,0,0,1|1,1,0]=3 1845 B12R1.477 COC(=O)CSCC1OCCO1 62a_100000747449_100000755774 [0,0,0,0,0,1|2,1,0]=4 1846 B12R1.477 COC(=O)CSCC1OCCO1 62a_100000755774_100000747449 [0,0,0,0,0,1|2,1,0]=4 1847 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,0,0,0,0,1|2,0,0]=3 1848 B12R1.477 C[C@@H](CO)COCC1CCCO1 34a_100000210270_100000059175 [0,0,0,0,0,1|2,0,1]=4 1849 B12R1.477 C[C@@H](CO)COCC1CCCO1 7a_100000210270_100000059175 [0,0,0,0,0,1|2,0,1]=4 1850 B12R1.477 O=C(CF)COCC1CCCO1 1458a_100011223388_100015361967 [0,0,0,0,0,1|1,0,0]=2 1851 B12R1.477 O=C(CF)CSCC1CCCO1 1458a_100000217298_100015361967 [0,0,0,0,0,1|1,1,0]=3 1852 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,0,0,0,0,1|3,0,0]=4 1853 B12R1.477 O=C(CO)CCCC1OCCO1 1458a_100000210174_100000042513 [0,0,0,0,0,1|3,0,0]=4 1854 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,0,0,0,0,1|3,0,0]=4 1855 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,0,0,0,0,1|3,0,0]=4 1856 B12R1.477 O=C(CO)NCCC1OCCO1 240690a_100000034215_100000210174 [0,0,0,0,0,1|3,0,0]=4 1857 B12R1.477 O=C(CO)NCCC1OCCO1 527a_100000034215_100000210174 [0,0,0,0,0,1|3,0,0]=4 1858 B12R1.477 OCC(O)COCC1CCCO1 34a_100000210270_100011219619 [0,0,0,0,0,1|1,0,2]=4 1859 B12R1.477 OCC(O)COCC1CCCO1 7a_100000210270_100011219619 [0,0,0,0,0,1|1,0,2]=4 1860 B12R1.477 OC[C@H](O)COCC1CCCO1 34a_100000210270_100009815848 [0,0,0,0,0,1|1,0,2]=4 1861 B12R1.477 OC[C@H](O)COCC1CCCO1 7a_100000210270_100009815848 [0,0,0,0,0,1|1,0,2]=4 1862 B12R1.477 O[C@@H](CF)COCC1CCCO1 34a_100000210270_100015614560 [0,0,0,0,0,1|1,0,2]=4 1863 B12R1.477 O[C@@H](CF)COCC1CCCO1 7a_100000210270_100015614560 [0,0,0,0,0,1|1,0,2]=4 1864 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,0,1,0,0,0|1,0,0]=3 1865 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [1,0,1,0,0,0|2,0,0]=4 1866 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [1,0,1,0,0,0|2,0,0]=4 1867 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [1,0,1,0,0,0|2,0,0]=4 1868 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [1,0,1,0,0,0|2,0,0]=4 1869 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [1,0,1,0,0,0|2,0,0]=4 1870 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [1,0,1,0,0,0|2,0,0]=4 1871 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [1,0,1,0,0,0|2,0,0]=4 1872 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [1,0,1,0,0,0|1,0,0]=3 1873 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [1,0,1,0,0,0|1,0,0]=3 1874 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [1,0,1,0,0,0|1,0,0]=3 1875 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [1,0,1,0,0,0|1,0,0]=3 1876 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [1,0,1,0,0,0|2,0,0]=4 1877 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [1,0,1,0,0,0|2,0,0]=4 1878 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [1,0,1,0,0,0|1,0,0]=3 1879 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [1,0,1,0,0,0|1,0,0]=3 1880 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [1,0,1,0,0,0|1,0,0]=3 1881 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [1,0,1,0,0,0|1,0,0]=3 1882 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [1,0,1,0,0,0|1,0,0]=3 1883 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [1,0,1,0,0,0|1,0,0]=3 1884 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [1,0,1,0,0,0|1,0,0]=3 1885 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [1,0,1,0,0,0|2,0,0]=4 1886 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [1,0,1,0,0,0|2,0,0]=4 1887 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [1,0,1,0,0,0|2,0,0]=4 1888 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [1,0,1,0,0,0|2,0,0]=4 1889 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,0,1,0,0,0|2,0,0]=4 1890 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,0,1,0,0,0|2,0,0]=4 1891 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,0,1,0,0,0|2,0,0]=4 1892 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,0,1,0,0,0|2,0,0]=4 1893 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [1,0,1,0,0,0|2,0,0]=4 1894 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [1,0,1,0,0,0|2,0,0]=4 1895 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [1,0,1,0,0,0|2,0,0]=4 1896 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [1,0,1,0,0,0|2,0,0]=4 1897 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [1,0,1,0,0,0|2,0,0]=4 1898 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [1,0,1,0,0,0|2,0,0]=4 1899 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [1,0,1,0,0,0|2,0,0]=4 1900 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [1,0,1,0,0,0|2,0,0]=4 1901 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [1,0,1,0,0,0|1,0,1]=4 1902 B9R0.24 CCC(C)OCC(C)OC 34a_100000690652_100011215416 [1,0,1,0,0,0|1,0,1]=4 1903 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [1,0,1,0,0,0|1,0,1]=4 1904 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [1,0,1,0,0,0|1,0,1]=4 1905 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [1,0,1,0,0,0|2,0,0]=4 1906 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [1,0,1,0,0,0|2,0,0]=4 1907 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [1,0,1,0,0,0|2,0,0]=4 1908 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [1,0,1,0,0,0|2,0,0]=4 1909 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [1,0,1,0,0,0|2,0,0]=4 1910 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [1,0,1,0,0,0|2,0,0]=4 1911 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [1,0,1,0,0,0|2,0,0]=4 1912 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [1,0,1,0,0,0|2,0,0]=4 1913 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [1,0,1,0,0,0|1,0,1]=4 1914 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [1,0,1,0,0,0|2,0,0]=4 1915 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [1,0,1,0,0,0|2,0,0]=4 1916 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [1,0,1,0,0,0|2,0,0]=4 1917 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [1,0,1,0,0,0|2,0,0]=4 1918 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [1,0,1,0,0,0|2,0,0]=4 1919 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [1,0,1,0,0,0|2,0,0]=4 1920 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [1,0,1,0,0,0|2,0,0]=4 1921 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [1,0,1,0,0,0|2,0,0]=4 1922 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [1,0,1,0,0,0|1,0,0]=3 1923 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [1,0,1,0,0,0|2,0,0]=4 1924 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [1,0,1,0,0,0|2,0,0]=4 1925 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [1,0,1,0,0,0|2,0,0]=4 1926 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [1,0,1,0,0,0|2,0,0]=4 1927 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [1,0,1,0,0,0|1,0,0]=3 1928 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [1,0,1,0,0,0|1,0,0]=3 1929 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [1,0,1,0,0,0|1,0,0]=3 1930 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [1,0,1,0,0,0|1,0,0]=3 1931 B9R0.43 CCC(COC(C)C)OC 34a_100011934954_100000210206 [1,0,1,0,0,0|1,0,1]=4 1932 B9R0.43 CCC(COC(C)C)OC 7a_100011934954_100000210206 [1,0,1,0,0,0|1,0,1]=4 1933 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [1,0,1,0,0,0|2,0,0]=4 1934 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [1,0,1,0,0,0|2,0,0]=4 1935 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [1,0,1,0,0,0|2,0,0]=4 1936 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [1,0,1,0,0,0|2,0,0]=4 1937 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [1,0,1,0,0,0|2,0,0]=4 1938 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [1,0,1,0,0,0|1,0,0]=3 1939 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [1,0,1,0,0,0|2,0,0]=4 1940 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [1,0,1,0,0,0|2,0,0]=4 1941 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [1,0,1,0,0,0|2,0,0]=4 1942 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [1,0,1,0,0,0|2,0,0]=4 1943 B9R0.50 CCC(COCCF)OC 34a_100011934954_100011217306 [1,0,1,0,0,0|1,0,1]=4 1944 B9R0.50 CCC(COCCF)OC 7a_100011934954_100011217306 [1,0,1,0,0,0|1,0,1]=4 1945 B9R0.50 CCC(COCCO)OC 34a_100011934954_100000211926 [1,0,1,0,0,0|1,0,1]=4 1946 B9R0.50 CCC(COCCO)OC 7a_100011934954_100000211926 [1,0,1,0,0,0|1,0,1]=4 1947 B9R0.50 CCC(COCSC)OC 34a_100011934954_100011218213 [1,0,1,0,0,0|1,0,1]=4 1948 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [1,0,1,0,0,0|1,0,1]=4 1949 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [1,0,1,0,0,0|1,0,1]=4 1950 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [1,0,1,0,0,0|1,0,1]=4 1951 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [1,0,1,0,0,0|1,0,1]=4 1952 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [1,0,1,0,0,0|1,0,1]=4 1953 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [1,0,1,0,0,0|1,0,1]=4 1954 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [1,0,1,0,0,0|0,0,1]=3 1955 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [1,0,1,0,0,0|0,0,1]=3 1956 B9R0.50 CCCOCC(OC)OC 34a_100000210258_100000211822 [1,0,1,0,0,0|1,0,1]=4 1957 B9R0.50 CCCOCC(OC)OC 34a_100011216393_100000210303 [1,0,1,0,0,0|1,0,1]=4 1958 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [1,0,1,0,0,0|0,0,2]=4 1959 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [1,0,1,0,0,0|0,0,2]=4 1960 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,1,0,0,0|2,0,0]=4 1961 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,1,0,0,0|1,0,0]=3 1962 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,1,0,0,0|1,0,0]=3 1963 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,1,0,0,0|2,0,0]=4 1964 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,1,0,0,0|2,0,0]=4 1965 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,1,0,0,0|2,0,0]=4 1966 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,1,0,0,0|2,0,0]=4 1967 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,1,0,0,0|2,0,0]=4 1968 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,1,0,0,0|2,0,0]=4 1969 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,1,0,0,0|2,0,0]=4 1970 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,1,0,0,0|2,0,0]=4 1971 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,1,0,0,0|2,0,0]=4 1972 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,1,0,0,0|2,0,0]=4 1973 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,1,0,0,0|2,0,0]=4 1974 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,1,0,0,0|2,0,0]=4 1975 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,1,0,0,0|2,0,0]=4 1976 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,1,0,0,0|2,0,0]=4 1977 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,1,0,0,0|1,0,0]=3 1978 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,0,1,0,0,0|2,0,0]=4 1979 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,0,1,0,0,0|2,0,0]=4 1980 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [1,0,1,0,0,0|2,0,0]=4 1981 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,0,1,0,0,0|2,0,0]=4 1982 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,0,1,0,0,0|2,0,0]=4 1983 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,1,0,0,0|2,0,0]=4 1984 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,1,0,0,0|2,0,0]=4 1985 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,1,0,0,0|2,0,0]=4 1986 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,1,0,0,0|2,0,0]=4 1987 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,1,0,0,0|2,0,0]=4 1988 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,1,0,0,0|2,0,0]=4 1989 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,1,0,0,0|2,0,0]=4 1990 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,1,0,0,0|2,0,0]=4 1991 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [1,0,1,0,0,0|2,0,0]=4 1992 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [1,0,1,0,0,0|2,0,0]=4 1993 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [1,0,1,0,0,0|2,0,0]=4 1994 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,0,1,0,0,0|1,0,0]=3 1995 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,0,1,0,0,0|1,0,0]=3 1996 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,0,1,0,0,0|1,0,0]=3 1997 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [1,0,1,0,0,0|1,0,0]=3 1998 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [1,0,1,0,0,0|1,0,0]=3 1999 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [1,0,1,0,0,0|1,1,0]=4 2000 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [1,0,1,0,0,0|1,1,0]=4 2001 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,1,0,0,0|1,0,0]=3 2002 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,1,0,0,0|1,0,0]=3 2003 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [1,0,1,0,0,0|2,0,0]=4 2004 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [1,0,1,0,0,0|2,0,0]=4 2005 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [1,0,1,0,0,0|2,0,0]=4 2006 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [1,0,1,0,0,0|2,0,0]=4 2007 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [1,0,1,0,0,0|2,0,0]=4 2008 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [1,0,1,0,0,0|2,0,0]=4 2009 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [1,0,1,0,0,0|2,0,0]=4 2010 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,1,0,0,0|1,0,0]=3 2011 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,1,0,0,0|1,0,0]=3 2012 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,0,1,0,0,0|1,0,1]=4 2013 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,1,0,0,0|2,0,0]=4 2014 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,1,0,0,0|2,0,0]=4 2015 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,1,0,0,0|2,0,0]=4 2016 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 2017 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 2018 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 2019 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,1,0,0,0|2,0,0]=4 2020 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,1,0,0,0|2,0,0]=4 2021 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,1,0,0,0|2,0,0]=4 2022 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,1,0,0,0|2,0,0]=4 2023 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,1,0,0,0|2,0,0]=4 2024 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,1,0,0,0|2,0,0]=4 2025 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,1,0,0,0|1,0,0]=3 2026 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,1,0,0,0|1,0,0]=3 2027 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,1,0,0,0|1,0,0]=3 2028 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,1,0,0,0|2,0,0]=4 2029 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,1,0,0,0|1,0,0]=3 2030 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,1,0,0,0|1,0,0]=3 2031 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,1,0,0,0|1,0,0]=3 2032 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,1,0,0,0|1,0,0]=3 2033 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,1,0,0,0|2,0,0]=4 2034 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,1,0,0,0|0,0,0]=2 2035 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,1,0,0,0|1,0,0]=3 2036 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,1,0,0,0|1,0,0]=3 2037 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,0,1,0,0,0|1,0,1]=4 2038 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,0,1,0,0,0|1,0,1]=4 2039 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,0,1,0,0,0|1,0,1]=4 2040 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,0,1,0,0,0|1,0,1]=4 2041 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,0,1,0,0,0|1,0,1]=4 2042 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,0,1,0,0,0|1,0,1]=4 2043 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,1,0,0,0|1,1,0]=4 2044 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,1,0,0,0|1,1,0]=4 2045 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,1,0,0,0|1,1,0]=4 2046 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,1,0,0,0|1,1,0]=4 2047 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,1,0,0,0|1,1,0]=4 2048 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,1,0,0,0|1,1,0]=4 2049 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,1,0,0,0|1,1,0]=4 2050 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,1,0,0,0|0,1,0]=3 2051 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,1,0,0,0|0,1,0]=3 2052 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,1,0,0,0|1,1,0]=4 2053 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,1,0,0,0|1,1,0]=4 2054 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,1,0,0,0|2,0,0]=4 2055 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,1,0,0,0|2,0,0]=4 2056 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,1,0,0,0|2,0,0]=4 2057 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,1,0,0,0|2,0,0]=4 2058 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,1,0,0,0|2,0,0]=4 2059 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,0,1,0,0,0|1,0,0]=3 2060 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,1,0,0,0|2,0,0]=4 2061 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,1,0,0,0|2,0,0]=4 2062 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,1,0,0,0|2,0,0]=4 2063 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [1,0,1,0,0,0|1,0,0]=3 2064 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [1,0,1,0,0,0|1,1,0]=4 2065 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [1,0,1,0,0,0|1,1,0]=4 2066 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,1,0,0,0|2,0,0]=4 2067 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,1,0,0,0|2,0,0]=4 2068 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,1,0,0,0|2,0,0]=4 2069 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [1,0,1,0,0,0|2,0,0]=4 2070 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [1,0,1,0,0,0|1,0,0]=3 2071 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [1,0,1,0,0,0|1,0,0]=3 2072 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [1,0,1,0,0,0|1,1,0]=4 2073 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [1,0,1,0,0,0|1,1,0]=4 2074 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [1,0,1,0,0,0|2,0,0]=4 2075 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [1,0,1,0,0,0|2,0,0]=4 2076 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [1,0,1,0,0,0|2,0,0]=4 2077 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [1,0,1,0,0,0|2,0,0]=4 2078 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [1,0,1,0,0,0|2,0,0]=4 2079 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [1,0,1,0,0,0|2,0,0]=4 2080 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [1,0,1,0,0,0|2,0,0]=4 2081 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,1,0,0,0|1,0,0]=3 2082 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,0,1,0,0,0|2,0,0]=4 2083 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,0,1,0,0,0|2,0,0]=4 2084 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,0,1,0,0,0|2,0,0]=4 2085 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,1,0,0,0|1,0,0]=3 2086 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,1,0,0,0|1,0,0]=3 2087 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,1,0,0,0|1,0,0]=3 2088 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,0,1,0,0,0|2,0,0]=4 2089 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,0,1,0,0,0|2,0,0]=4 2090 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,0,1,0,0,0|2,0,0]=4 2091 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,0,1,0,0,0|2,0,0]=4 2092 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,0,1,0,0,0|2,0,0]=4 2093 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,0,1,0,0,0|2,0,0]=4 2094 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,1,0,0,0|1,1,0]=4 2095 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,1,0,0,0|1,1,0]=4 2096 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,0,1,0,0,0|2,0,0]=4 2097 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,0,1,0,0,0|2,0,0]=4 2098 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,0,1,0,0,0|2,0,0]=4 2099 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,0,1,0,0,0|2,0,0]=4 2100 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,0,1,0,0,0|2,0,0]=4 2101 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,1,0,0,0|1,0,1]=4 2102 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,0,1,0,0,0|1,0,1]=4 2103 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,0,1,0,0,0|1,0,1]=4 2104 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,1,0,0,0|1,0,1]=4 2105 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,1,0,0,0|1,0,1]=4 2106 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,1,0,0,0|1,0,1]=4 2107 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,1,0,0,0|1,0,1]=4 2108 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,1,0,0,0|1,0,1]=4 2109 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,1,0,0,0|1,0,1]=4 2110 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,1,0,0,0|1,0,1]=4 2111 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,1,0,0,0|1,0,1]=4 2112 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,1,0,0,0|1,0,1]=4 2113 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,1,0,0,0|1,0,1]=4 2114 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,1,0,0,0|1,0,1]=4 2115 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,1,0,0,0|1,0,1]=4 2116 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,1,0,0,0|1,0,1]=4 2117 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,1,0,0,0|1,0,1]=4 2118 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,1,0,0,0|1,0,1]=4 2119 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,1,0,0,0|0,0,1]=3 2120 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,1,0,0,0|2,0,0]=4 2121 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,1,0,0,0|2,0,0]=4 2122 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,1,0,0,0|2,0,0]=4 2123 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,1,0,0,0|2,0,0]=4 2124 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,1,0,0,0|2,0,0]=4 2125 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,1,0,0,0|2,0,0]=4 2126 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,1,0,0,0|2,0,0]=4 2127 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,0,1,0,0,0|1,0,1]=4 2128 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,0,1,0,0,0|1,0,1]=4 2129 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,0,1,0,0,0|1,0,1]=4 2130 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,0,1,0,0,0|1,0,1]=4 2131 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,0,1,0,0,0|1,0,1]=4 2132 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,0,1,0,0,0|1,0,1]=4 2133 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,0,1,0,0,0|1,0,1]=4 2134 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,1,0,0,0|0,0,1]=3 2135 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,1,0,0,0|0,0,1]=3 2136 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,1,0,0,0|0,0,1]=3 2137 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,0,1,0,0,0|1,0,1]=4 2138 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,0,1,0,0,0|1,0,1]=4 2139 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,0,1,0,0,0|1,0,1]=4 2140 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,0,1,0,0,0|1,0,1]=4 2141 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,0,1,0,0,0|1,0,1]=4 2142 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,0,1,0,0,0|1,0,1]=4 2143 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,0,1,0,0,0|1,0,1]=4 2144 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,0,1,0,0,0|1,0,1]=4 2145 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,0,1,0,0,0|1,0,1]=4 2146 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,0,1,0,0,0|1,0,1]=4 2147 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,0,1,0,0,0|1,0,1]=4 2148 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,0,1,0,0,0|1,0,1]=4 2149 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,0,1,0,0,0|1,0,1]=4 2150 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [1,0,1,0,0,0|1,0,1]=4 2151 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,1,0,0,0|0,1,1]=4 2152 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,1,0,0,0|0,1,1]=4 2153 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,1,0,0,0|0,1,1]=4 2154 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,1,0,0,0|0,1,1]=4 2155 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,0,1,0,0,0|1,0,1]=4 2156 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,0,1,0,0,0|1,0,1]=4 2157 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,1,0,0,0|0,1,1]=4 2158 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,1,0,0,0|0,1,1]=4 2159 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,1,0,0,0|2,0,0]=4 2160 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,1,0,0,0|2,0,0]=4 2161 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,1,0,0,0|2,0,0]=4 2162 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,1,0,0,0|2,0,0]=4 2163 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,1,0,0,0|2,0,0]=4 2164 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,1,0,0,0|2,0,0]=4 2165 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,0,1,0,0,0|1,0,1]=4 2166 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,0,1,0,0,0|1,0,1]=4 2167 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [1,0,1,0,0,0|0,0,2]=4 2168 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [1,0,1,0,0,0|0,0,2]=4 2169 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,0,1,0,0,0|1,0,1]=4 2170 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,0,1,0,0,0|1,0,1]=4 2171 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [1,0,1,0,0,0|0,0,2]=4 2172 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [1,0,1,0,0,0|0,0,2]=4 2173 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [1,0,1,0,0,0|0,0,2]=4 2174 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [1,0,1,0,0,0|0,0,2]=4 2175 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [1,0,1,0,0,0|0,0,2]=4 2176 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,0,1,0,0,0|1,0,1]=4 2177 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,0,1,0,0,0|1,0,1]=4 2178 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [1,0,1,0,0,0|0,0,2]=4 2179 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,0,1,0,0,0|1,0,1]=4 2180 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,0,1,0,0,0|1,0,1]=4 2181 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,1,0,0,0|1,0,0]=3 2182 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,1,0,0,0|0,0,0]=2 2183 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,1,0,0,0|0,0,0]=2 2184 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,1,0,0,0|2,0,0]=4 2185 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [1,0,1,0,0,0|1,0,1]=4 2186 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,0,1,0,0,0|1,0,0]=3 2187 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,0,1,0,0,0|1,0,0]=3 2188 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,0,1,0,0,0|2,0,0]=4 2189 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,0,1,0,0,0|1,0,0]=3 2190 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [1,0,1,0,0,0|2,0,0]=4 2191 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [1,0,1,0,0,0|2,0,0]=4 2192 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,0,1,0,0,0|1,0,0]=3 2193 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,0,1,0,0,0|1,0,0]=3 2194 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,0,1,0,0,0|1,0,0]=3 2195 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,0,1,0,0,0|1,0,0]=3 2196 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,0,1,0,0,0|2,0,0]=4 2197 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,0,1,0,0,0|2,0,0]=4 2198 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,0,1,0,0,0|2,0,0]=4 2199 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,0,1,0,0,0|2,0,0]=4 2200 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,0,1,0,0,0|2,0,0]=4 2201 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,0,1,0,0,0|2,0,0]=4 2202 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,0,1,0,0,0|2,0,0]=4 2203 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [1,0,1,0,0,0|2,0,0]=4 2204 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [1,0,1,0,0,0|2,0,0]=4 2205 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [1,0,1,0,0,0|1,0,0]=3 2206 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,0,1,0,0,0|1,0,1]=4 2207 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,0,1,0,0,0|1,0,1]=4 2208 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,0,1,0,0,0|1,0,1]=4 2209 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,1,0,0,0|1,0,0]=3 2210 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,1,0,0,0|1,0,0]=3 2211 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,1,0,0,0|2,0,0]=4 2212 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,1,0,0,0|2,0,0]=4 2213 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,1,0,0,0|2,0,0]=4 2214 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,1,0,0,0|2,0,0]=4 2215 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,1,0,0,0|2,0,0]=4 2216 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,1,0,0,0|2,0,0]=4 2217 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,1,0,0,0|1,0,0]=3 2218 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,1,0,0,0|1,0,0]=3 2219 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,1,0,0,0|1,0,0]=3 2220 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,1,0,0,0|1,0,0]=3 2221 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,1,0,0,0|2,0,0]=4 2222 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,1,0,0,0|2,0,0]=4 2223 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,1,0,0,0|2,0,0]=4 2224 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,1,0,0,0|2,0,0]=4 2225 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,1,0,0,0|2,0,0]=4 2226 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,1,0,0,0|2,0,0]=4 2227 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,1,0,0,0|2,0,0]=4 2228 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,1,0,0,0|2,0,0]=4 2229 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,0,1,0,0,0|1,0,1]=4 2230 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,0,1,0,0,0|1,0,1]=4 2231 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,0,1,0,0,0|1,0,1]=4 2232 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,1,0,0,0|2,0,0]=4 2233 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,0,1,0,0,0|2,0,0]=4 2234 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,1,0,0,0|2,0,0]=4 2235 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,1,0,0,0|2,0,0]=4 2236 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,1,0,0,0|2,0,0]=4 2237 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,1,0,0,0|2,0,0]=4 2238 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,1,0,0,0|2,0,0]=4 2239 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,1,0,0,0|2,0,0]=4 2240 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,1,0,0,0|2,0,0]=4 2241 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,0,1,0,0,0|2,0,0]=4 2242 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,0,1,0,0,0|2,0,0]=4 2243 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,1,0,0,0|0,0,0]=2 2244 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,0,1,0,0,0|1,0,0]=3 2245 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,0,1,0,0,0|1,0,0]=3 2246 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,0,1,0,0,0|1,0,0]=3 2247 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,0,1,0,0,0|1,0,0]=3 2248 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,0,1,0,0,0|1,0,1]=4 2249 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,0,1,0,0,0|2,0,0]=4 2250 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,0,1,0,0,0|2,0,0]=4 2251 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,0,1,0,0,0|1,1,0]=4 2252 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,0,1,0,0,0|1,1,0]=4 2253 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,0,1,0,0,0|1,1,0]=4 2254 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,0,1,0,0,0|1,1,0]=4 2255 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,0,1,0,0,0|1,1,0]=4 2256 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,0,1,0,0,0|2,0,0]=4 2257 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,0,1,0,0,0|2,0,0]=4 2258 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,0,1,0,0,0|2,0,0]=4 2259 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,0,1,0,0,0|2,0,0]=4 2260 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,1,0,0,0|2,0,0]=4 2261 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,1,0,0,0|1,0,0]=3 2262 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,0,1,0,0,0|2,0,0]=4 2263 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,0,1,0,0,0|2,0,0]=4 2264 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,0,1,0,0,0|2,0,0]=4 2265 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,0,1,0,0,0|1,0,0]=3 2266 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,0,1,0,0,0|1,0,0]=3 2267 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,0,1,0,0,0|1,0,0]=3 2268 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,0,1,0,0,0|1,0,0]=3 2269 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,0,1,0,0,0|1,0,0]=3 2270 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,0,1,0,0,0|1,0,0]=3 2271 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,0,1,0,0,0|2,0,0]=4 2272 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,0,1,0,0,0|2,0,0]=4 2273 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,0,1,0,0,0|2,0,0]=4 2274 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,0,1,0,0,0|2,0,0]=4 2275 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,0,1,0,0,0|2,0,0]=4 2276 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,0,1,0,0,0|2,0,0]=4 2277 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,0,1,0,0,0|2,0,0]=4 2278 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,0,1,0,0,0|2,0,0]=4 2279 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,0,1,0,0,0|2,0,0]=4 2280 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,0,1,0,0,0|0,0,0]=2 2281 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,1,0,0,0|1,0,0]=3 2282 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,0,1,0,0,0|1,0,0]=3 2283 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,0,1,0,0,0|1,0,1]=4 2284 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,0,1,0,0,0|1,0,1]=4 2285 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,0,1,0,0,0|1,0,1]=4 2286 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,0,1,0,0,0|2,0,0]=4 2287 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,0,1,0,0,0|2,0,0]=4 2288 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,0,1,0,0,0|1,1,0]=4 2289 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,0,1,0,0,0|1,1,0]=4 2290 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,0,1,0,0,0|1,1,0]=4 2291 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,0,1,0,0,0|1,1,0]=4 2292 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,1,0,0,0|1,1,0]=4 2293 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,1,0,0,0|1,1,0]=4 2294 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,0,1,0,0,0|1,0,0]=3 2295 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [1,0,1,0,0,0|2,0,0]=4 2296 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [1,0,1,0,0,0|2,0,0]=4 2297 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [1,0,1,0,0,0|2,0,0]=4 2298 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [1,0,1,0,0,0|2,0,0]=4 2299 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [1,0,1,0,0,0|2,0,0]=4 2300 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [1,0,1,0,0,0|2,0,0]=4 2301 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [1,0,1,0,0,0|2,0,0]=4 2302 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [1,0,1,0,0,0|2,0,0]=4 2303 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [1,0,1,0,0,0|2,0,0]=4 2304 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [1,0,1,0,0,0|2,0,0]=4 2305 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [1,0,1,0,0,0|2,0,0]=4 2306 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [1,0,1,0,0,0|2,0,0]=4 2307 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [1,0,1,0,0,0|2,0,0]=4 2308 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [1,0,1,0,0,0|2,0,0]=4 2309 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,0,1,0,0,0|2,0,0]=4 2310 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [1,0,1,0,0,0|2,0,0]=4 2311 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [1,0,1,0,0,0|2,0,0]=4 2312 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,0,1,0,0,0|2,0,0]=4 2313 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,0,1,0,0,0|2,0,0]=4 2314 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,0,1,0,0,0|2,0,0]=4 2315 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,0,1,0,0,0|2,0,0]=4 2316 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,0,1,0,0,0|2,0,0]=4 2317 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,0,1,0,0,0|2,0,0]=4 2318 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [1,0,1,0,0,0|2,0,0]=4 2319 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [1,0,1,0,0,0|2,0,0]=4 2320 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [1,0,1,0,0,0|2,0,0]=4 2321 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [1,0,1,0,0,0|2,0,0]=4 2322 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [1,0,1,0,0,0|2,0,0]=4 2323 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [1,0,1,0,0,0|2,0,0]=4 2324 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [1,0,1,0,0,0|2,0,0]=4 2325 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [1,0,1,0,0,0|2,0,0]=4 2326 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [1,0,1,0,0,0|2,0,0]=4 2327 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [1,0,1,0,0,0|2,0,0]=4 2328 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,0,1,0,0,0|1,0,0]=3 2329 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [1,0,1,0,0,0|2,0,0]=4 2330 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,0,1,0,0,0|2,0,0]=4 2331 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,0,1,0,0,0|1,0,0]=3 2332 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,0,1,0,0,0|2,0,0]=4 2333 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,0,1,0,0,0|2,0,0]=4 2334 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,0,1,0,0,0|2,0,0]=4 2335 B9R0.5 CCC#CCC(C)OCC 34a_200000035118_100000210202 [1,0,1,0,0,0|1,0,1]=4 2336 B9R0.5 CCC#CCC(C)OCC 7a_200000035118_100000210202 [1,0,1,0,0,0|1,0,1]=4 2337 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,0,1,0,0,0|1,0,1]=4 2338 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,0,1,0,0,0|1,0,1]=4 2339 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,0,1,0,0,0|1,0,1]=4 2340 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,0,1,0,0,0|1,0,1]=4 2341 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,0,1,0,0,0|1,0,1]=4 2342 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,0,1,0,0,0|1,0,1]=4 2343 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [1,0,1,0,0,0|1,0,1]=4 2344 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,0,1,0,0,0|1,0,1]=4 2345 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [1,0,1,0,0,0|1,0,0]=3 2346 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [1,0,1,0,0,0|1,0,0]=3 2347 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [1,0,1,0,0,0|0,0,2]=4 2348 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [1,0,1,0,0,0|2,0,0]=4 2349 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [1,0,1,0,0,0|1,0,0]=3 2350 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [1,0,1,0,0,0|1,0,0]=3 2351 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [1,0,1,0,0,0|1,0,0]=3 2352 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [1,0,1,0,0,0|2,0,0]=4 2353 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [1,0,1,0,0,0|2,0,0]=4 2354 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [1,0,1,0,0,0|1,0,0]=3 2355 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [1,0,1,0,0,0|1,0,0]=3 2356 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [1,0,1,0,0,0|1,0,0]=3 2357 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [2,0,0,0,0,0|1,0,1]=4 2358 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [2,0,0,0,0,0|1,0,1]=4 2359 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [2,0,0,0,0,0|1,0,1]=4 2360 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [2,0,0,0,0,0|0,0,1]=3 2361 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [2,0,0,0,0,0|2,0,0]=4 2362 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [2,0,0,0,0,0|2,0,0]=4 2363 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [2,0,0,0,0,0|2,0,0]=4 2364 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [2,0,0,0,0,0|2,0,0]=4 2365 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [2,0,0,0,0,0|1,0,0]=3 2366 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [2,0,0,0,0,0|2,0,0]=4 2367 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [2,0,0,0,0,0|2,0,0]=4 2368 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [2,0,0,0,0,0|2,0,0]=4 2369 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [2,0,0,0,0,0|1,0,0]=3 2370 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [2,0,0,0,0,0|1,0,0]=3 2371 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [2,0,0,0,0,0|1,0,0]=3 2372 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [2,0,0,0,0,0|1,0,0]=3 2373 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [2,0,0,0,0,0|1,0,0]=3 2374 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [2,0,0,0,0,0|0,0,0]=2 2375 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [2,0,0,0,0,0|0,0,0]=2 2376 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [2,0,0,0,0,0|2,0,0]=4 2377 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [2,0,0,0,0,0|2,0,0]=4 2378 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [2,0,0,0,0,0|2,0,0]=4 2379 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [2,0,0,0,0,0|1,0,0]=3 2380 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [2,0,0,0,0,0|1,0,0]=3 2381 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [2,0,0,0,0,0|1,0,0]=3 2382 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [2,0,0,0,0,0|2,0,0]=4 2383 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [2,0,0,0,0,0|1,0,0]=3 2384 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [2,0,0,0,0,0|1,1,0]=4 2385 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [2,0,0,0,0,0|1,1,0]=4 2386 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [2,0,0,0,0,0|0,1,0]=3 2387 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [2,0,0,0,0,0|0,1,0]=3 2388 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [2,0,0,0,0,0|1,1,0]=4 2389 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [2,0,0,0,0,0|1,1,0]=4 2390 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [2,0,0,0,0,0|1,0,1]=4 2391 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [2,0,0,0,0,0|1,0,1]=4 2392 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [2,0,0,0,0,0|2,0,0]=4 2393 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [2,0,0,0,0,0|2,0,0]=4 2394 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [2,0,0,0,0,0|2,0,0]=4 2395 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [2,0,0,0,0,0|1,0,0]=3 2396 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [2,0,0,0,0,0|1,0,0]=3 2397 B9R1.12 FCOCC1COCO1 34a_100011216627_100015361967 [2,0,0,0,0,0|2,0,0]=4 2398 B9R1.12 FCOCC1OCCO1 34a_100000087154_100015361967 [2,0,0,0,0,0|2,0,0]=4 2399 B9R1.12 FCOC[C@H]1CCCN1 34a_100000745186_100015361967 [2,0,0,0,0,0|2,0,0]=4 2400 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [2,0,0,0,0,0|1,1,0]=4 2401 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [2,0,0,0,0,0|1,1,0]=4 2402 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [2,0,0,0,0,0|2,0,0]=4 2403 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [2,0,0,0,0,0|1,0,1]=4 2404 B11R0.9 C#CCC(=O)NCC(CC)OC 1626a_100000731041_100011220946 [0,1,1,0,0,0|1,0,1]=4 2405 B11R0.9 C#CCC(=O)NCC(CC)OC 527a_100000731041_100011220946 [0,1,1,0,0,0|1,0,1]=4 2406 B11R0.9 C=CCC(=O)NCC(CC)OC 11a_100000731041_100000210193 [0,1,1,0,0,0|1,0,1]=4 2407 B11R0.9 C=CCC(=O)NCC(CC)OC 1626a_100000731041_100000210193 [0,1,1,0,0,0|1,0,1]=4 2408 B11R0.9 C=CCC(=O)NCC(CC)OC 240690a_100000731041_100000210193 [0,1,1,0,0,0|1,0,1]=4 2409 B11R0.9 C=CCC(=O)NCC(CC)OC 527a_100000731041_100000210193 [0,1,1,0,0,0|1,0,1]=4 2410 B11R0.9 CC=CC(=O)NCC(CC)OC 11a_100000731041_100000210699 [0,1,1,0,0,0|1,0,1]=4 2411 B11R0.9 CC=CC(=O)NCC(CC)OC 1626a_100000731041_100000210699 [0,1,1,0,0,0|1,0,1]=4 2412 B11R0.9 CC=CC(=O)NCC(CC)OC 240690a_100000731041_100000210699 [0,1,1,0,0,0|1,0,1]=4 2413 B11R0.9 CCC(CC)CNC(=O)CCO 240690a_100102946423_100011216618 [0,1,1,0,0,0|2,0,0]=4 2414 B11R0.9 CCC(CC)CNC(=O)COC 11a_100102946423_100000210968 [0,1,1,0,0,0|2,0,0]=4 2415 B11R0.9 CCC(CC)CNC(=O)COC 1626a_100102946423_100000210968 [0,1,1,0,0,0|2,0,0]=4 2416 B11R0.9 CCC(CC)CNC(=O)COC 240690a_100102946423_100000210968 [0,1,1,0,0,0|2,0,0]=4 2417 B11R0.9 CCC(CC)CNC(=O)COC 527a_100102946423_100000210968 [0,1,1,0,0,0|2,0,0]=4 2418 B11R0.9 CCC(CC)CNC(=O)CSC 11a_100102946423_100000184570 [0,1,1,0,0,0|2,0,0]=4 2419 B11R0.9 CCC(CC)CNC(=O)CSC 1626a_100102946423_100000184570 [0,1,1,0,0,0|2,0,0]=4 2420 B11R0.9 CCC(CC)CNC(=O)CSC 240690a_100102946423_100000184570 [0,1,1,0,0,0|2,0,0]=4 2421 B11R0.9 CCC(CC)CNC(=O)CSC 527a_100102946423_100000184570 [0,1,1,0,0,0|2,0,0]=4 2422 B11R0.9 CCC(CNC(=O)CC#N)OC 1626a_100000731041_100051588842 [0,1,1,0,0,0|1,0,1]=4 2423 B11R0.9 CCC(CNC(=O)CC#N)OC 240690a_100000731041_100051588842 [0,1,1,0,0,0|1,0,1]=4 2424 B11R0.9 CCC(CNC(=O)CCO)OC 240690a_100000731041_100011216618 [0,1,1,0,0,0|1,0,0]=3 2425 B11R0.9 CCC(CNC(=O)COC)OC 11a_100000731041_100000210968 [0,1,1,0,0,0|1,0,0]=3 2426 B11R0.9 CCC(CNC(=O)COC)OC 1626a_100000731041_100000210968 [0,1,1,0,0,0|1,0,0]=3 2427 B11R0.9 CCC(CNC(=O)COC)OC 240690a_100000731041_100000210968 [0,1,1,0,0,0|1,0,0]=3 2428 B11R0.9 CCC(CNC(=O)COC)OC 527a_100000731041_100000210968 [0,1,1,0,0,0|1,0,0]=3 2429 B11R0.9 CCC(CNC(=O)CSC)OC 11a_100000731041_100000184570 [0,1,1,0,0,0|1,0,0]=3 2430 B11R0.9 CCC(CNC(=O)CSC)OC 1626a_100000731041_100000184570 [0,1,1,0,0,0|1,0,0]=3 2431 B11R0.9 CCC(CNC(=O)CSC)OC 240690a_100000731041_100000184570 [0,1,1,0,0,0|1,0,0]=3 2432 B11R0.9 CCC(CNC(=O)CSC)OC 527a_100000731041_100000184570 [0,1,1,0,0,0|1,0,0]=3 2433 B11R0.9 CCC(CNC(=O)NNC)OC 273464a_100000731041_100016993582 [0,1,1,0,0,0|2,0,0]=4 2434 B11R0.9 CCC(CNC(=O)NNC)OC 512a_100000731041_100016993582 [0,1,1,0,0,0|2,0,0]=4 2435 B11R0.9 CCC(CNC(=O)NNC)OC 512a_100016993582_100000731041 [0,1,1,0,0,0|2,0,0]=4 2436 B11R0.9 CCC(COC(C)CCO)OC 34a_100011934954_100009893172 [0,1,1,0,0,0|1,0,1]=4 2437 B11R0.9 CCC(COC(C)CCO)OC 7a_100011934954_100009893172 [0,1,1,0,0,0|1,0,1]=4 2438 B11R0.9 CCC(COC(C)COC)OC 34a_100011934954_100000765312 [0,1,1,0,0,0|1,0,1]=4 2439 B11R0.9 CCC(COC(C)COC)OC 7a_100011934954_100000765312 [0,1,1,0,0,0|1,0,1]=4 2440 B11R0.9 CCCC(=O)CCC(OC)OC 1458a_100000211992_100000139399 [0,1,1,0,0,0|2,0,0]=4 2441 B11R0.9 CCCC(=O)CCC(OC)OC 1458a_200000082759_100000210303 [0,1,1,0,0,0|2,0,0]=4 2442 B11R0.9 CCCC(=O)NCC(CC)CC 11a_100102946423_100000211992 [0,1,1,0,0,0|2,0,0]=4 2443 B11R0.9 CCCC(=O)NCC(CC)CC 1626a_100102946423_100000211992 [0,1,1,0,0,0|2,0,0]=4 2444 B11R0.9 CCCC(=O)NCC(CC)CC 240690a_100102946423_100000211992 [0,1,1,0,0,0|2,0,0]=4 2445 B11R0.9 CCCC(=O)NCC(CC)CC 527a_100102946423_100000211992 [0,1,1,0,0,0|2,0,0]=4 2446 B11R0.9 CCCC(=O)NCC(CC)OC 11a_100000731041_100000211992 [0,1,1,0,0,0|1,0,0]=3 2447 B11R0.9 CCCC(=O)NCC(CC)OC 1626a_100000731041_100000211992 [0,1,1,0,0,0|1,0,0]=3 2448 B11R0.9 CCCC(=O)NCC(CC)OC 240690a_100000731041_100000211992 [0,1,1,0,0,0|1,0,0]=3 2449 B11R0.9 CCCC(=O)NCC(CC)OC 527a_100000731041_100000211992 [0,1,1,0,0,0|1,0,0]=3 2450 B11R0.9 CCCC(=O)NCC(OC)OC 11a_100000210479_100000211992 [0,1,1,0,0,0|2,0,0]=4 2451 B11R0.9 CCCC(=O)NCC(OC)OC 1626a_100000210479_100000211992 [0,1,1,0,0,0|2,0,0]=4 2452 B11R0.9 CCCC(=O)NCC(OC)OC 240690a_100000210479_100000211992 [0,1,1,0,0,0|2,0,0]=4 2453 B11R0.9 CCCC(=O)NCC(OC)OC 527a_100000210479_100000211992 [0,1,1,0,0,0|2,0,0]=4 2454 B11R0.9 CCCC(=O)OCN(CC)CC 2230a_100000724800_100000034017 [0,1,1,0,0,0|2,0,0]=4 2455 B11R0.9 CCCC(=O)OCN(CC)CC 269956a_100000042499_100000034017 [0,1,1,0,0,0|2,0,0]=4 2456 B11R0.9 CCCC(=O)OCN(CC)CC 269982a_100000724800_100000034017 [0,1,1,0,0,0|2,0,0]=4 2457 B11R0.9 CCCC(C)OCC(CC)OC 34a_100011934954_100000766640 [0,1,1,0,0,0|1,0,1]=4 2458 B11R0.9 CCCC(C)OCC(CC)OC 7a_100011934954_100000766640 [0,1,1,0,0,0|1,0,1]=4 2459 B11R0.9 CCNC(=O)CCC(OC)OC 11a_100015525214_200000082759 [0,1,1,0,0,0|2,0,0]=4 2460 B11R0.9 CCNC(=O)CCC(OC)OC 240690a_100015525214_200000082759 [0,1,1,0,0,0|2,0,0]=4 2461 B11R0.9 CCNC(=O)CCC(OC)OC 527a_100015525214_200000082759 [0,1,1,0,0,0|2,0,0]=4 2462 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100015525214_100102946423 [0,1,1,0,0,0|2,0,0]=4 2463 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100102946423_100015525214 [0,1,1,0,0,0|2,0,0]=4 2464 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100015525214_100102946423 [0,1,1,0,0,0|2,0,0]=4 2465 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100102946423_100015525214 [0,1,1,0,0,0|2,0,0]=4 2466 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100015525214_100102946423 [0,1,1,0,0,0|2,0,0]=4 2467 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100102946423_100015525214 [0,1,1,0,0,0|2,0,0]=4 2468 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100000731041_100015525214 [0,1,1,0,0,0|1,0,0]=3 2469 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100015525214_100000731041 [0,1,1,0,0,0|1,0,0]=3 2470 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100000731041_100015525214 [0,1,1,0,0,0|1,0,0]=3 2471 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100015525214_100000731041 [0,1,1,0,0,0|1,0,0]=3 2472 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100000731041_100015525214 [0,1,1,0,0,0|1,0,0]=3 2473 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100015525214_100000731041 [0,1,1,0,0,0|1,0,0]=3 2474 B11R0.9 CCNC(=O)NCC(OC)OC 2708a_100000210479_100015525214 [0,1,1,0,0,0|2,0,0]=4 2475 B11R0.9 CCNC(=O)NCC(OC)OC 273464a_100000210479_100015525214 [0,1,1,0,0,0|2,0,0]=4 2476 B11R0.9 CCNC(=O)NCC(OC)OC 273464a_100015525214_100000210479 [0,1,1,0,0,0|2,0,0]=4 2477 B11R0.9 CCNC(=O)NCC(OC)OC 512a_100000210479_100015525214 [0,1,1,0,0,0|2,0,0]=4 2478 B11R0.9 CCNC(=O)NCC(OC)OC 512a_100015525214_100000210479 [0,1,1,0,0,0|2,0,0]=4 2479 B11R0.9 COC(CCC(=O)CCF)OC 1458a_200000082759_100011217306 [0,1,1,0,0,0|2,0,0]=4 2480 B11R0.9 COC(CCC(=O)CCO)OC 1458a_100011216618_100000139399 [0,1,1,0,0,0|2,0,0]=4 2481 B11R0.9 COC(CCC(=O)CCO)OC 1458a_200000082759_100000211926 [0,1,1,0,0,0|2,0,0]=4 2482 B11R0.9 COC(CCC(=O)CSC)OC 1458a_100000184570_100000139399 [0,1,1,0,0,0|2,0,0]=4 2483 B11R0.9 COC(CNC(=O)CCO)OC 240690a_100000210479_100011216618 [0,1,1,0,0,0|2,0,0]=4 2484 B11R0.9 COC(CNC(=O)CSC)OC 11a_100000210479_100000184570 [0,1,1,0,0,0|2,0,0]=4 2485 B11R0.9 COC(CNC(=O)CSC)OC 1626a_100000210479_100000184570 [0,1,1,0,0,0|2,0,0]=4 2486 B11R0.9 COC(CNC(=O)CSC)OC 240690a_100000210479_100000184570 [0,1,1,0,0,0|2,0,0]=4 2487 B11R0.9 COC(CNC(=O)CSC)OC 527a_100000210479_100000184570 [0,1,1,0,0,0|2,0,0]=4 2488 B11R0.9 COCC(=O)CCC(OC)OC 1458a_100000210968_100000139399 [0,1,1,0,0,0|2,0,0]=4 2489 B11R0.9 COCC(=O)NCC(OC)OC 11a_100000210479_100000210968 [0,1,1,0,0,0|2,0,0]=4 2490 B11R0.9 COCC(=O)NCC(OC)OC 1626a_100000210479_100000210968 [0,1,1,0,0,0|2,0,0]=4 2491 B11R0.9 COCC(=O)NCC(OC)OC 240690a_100000210479_100000210968 [0,1,1,0,0,0|2,0,0]=4 2492 B11R0.9 COCC(=O)NCC(OC)OC 527a_100000210479_100000210968 [0,1,1,0,0,0|2,0,0]=4 2493 B11R0.21 C=C(C)C(=O)NCC(CC)OC 11a_100000731041_100000185857 [0,1,1,0,0,0|1,0,1]=4 2494 B11R0.21 C=C(C)C(=O)NCC(CC)OC 1626a_100000731041_100000185857 [0,1,1,0,0,0|1,0,1]=4 2495 B11R0.21 C=C(C)C(=O)OCC(CC)OC 7a_100010256990_200000210301 [0,1,1,0,0,0|0,0,1]=3 2496 B11R0.21 C=C(C)C(=O)OCC(CC)O[13CH3] 7a_100010256990_200025704644 [0,1,1,0,0,0|0,0,1]=3 2497 B11R0.21 C=C(C)C(=O)OCC(CCl)OC 7a_100000037624_200000210301 [0,1,1,0,0,0|1,0,1]=4 2498 B11R0.21 C=C(C)C(=O)OCC(CCl)O[13CH3] 7a_100000037624_200025704644 [0,1,1,0,0,0|1,0,1]=4 2499 B11R0.21 CCC(CC)CNC(=O)C(C)C 11a_100102946423_100000210198 [0,1,1,0,0,0|2,0,0]=4 2500 B11R0.21 CCC(CC)CNC(=O)C(C)C 1626a_100102946423_100000210198 [0,1,1,0,0,0|2,0,0]=4 2501 B11R0.21 CCC(CC)CNC(=O)C(C)C 240690a_100102946423_100000210198 [0,1,1,0,0,0|2,0,0]=4 2502 B11R0.21 CCC(CC)CNC(=O)C(C)C 527a_100102946423_100000210198 [0,1,1,0,0,0|2,0,0]=4 2503 B11R0.21 CCC(CC)CNC(=O)C(C)F 11a_100102946423_100000062450 [0,1,1,0,0,0|2,0,0]=4 2504 B11R0.21 CCC(CC)CNC(=O)C(C)F 1626a_100102946423_100000062450 [0,1,1,0,0,0|2,0,0]=4 2505 B11R0.21 CCC(CC)CNC(=O)C(C)F 240690a_100102946423_100000062450 [0,1,1,0,0,0|2,0,0]=4 2506 B11R0.21 CCC(CC)CNC(=O)C(C)F 527a_100102946423_100000062450 [0,1,1,0,0,0|2,0,0]=4 2507 B11R0.21 CCC(CC)CNC(=O)[C@@H](C)O 240690a_100102946423_100000717761 [0,1,1,0,0,0|2,0,0]=4 2508 B11R0.21 CCC(CC)CNC(=O)[C@H](C)O 1626a_100102946423_217856618621 [0,1,1,0,0,0|2,0,0]=4 2509 B11R0.21 CCC(CC)CNC(=O)[C@H](C)O 240690a_100102946423_217856618621 [0,1,1,0,0,0|2,0,0]=4 2510 B11R0.21 CCC(CNC(=O)C(C)C)OC 11a_100000731041_100000210198 [0,1,1,0,0,0|1,0,0]=3 2511 B11R0.21 CCC(CNC(=O)C(C)C)OC 1626a_100000731041_100000210198 [0,1,1,0,0,0|1,0,0]=3 2512 B11R0.21 CCC(CNC(=O)C(C)C)OC 240690a_100000731041_100000210198 [0,1,1,0,0,0|1,0,0]=3 2513 B11R0.21 CCC(CNC(=O)C(C)C)OC 527a_100000731041_100000210198 [0,1,1,0,0,0|1,0,0]=3 2514 B11R0.21 CCC(CNC(=O)C(C)F)OC 11a_100000731041_100000062450 [0,1,1,0,0,0|1,0,0]=3 2515 B11R0.21 CCC(CNC(=O)C(C)F)OC 1626a_100000731041_100000062450 [0,1,1,0,0,0|1,0,0]=3 2516 B11R0.21 CCC(CNC(=O)C(C)F)OC 240690a_100000731041_100000062450 [0,1,1,0,0,0|1,0,0]=3 2517 B11R0.21 CCC(CNC(=O)C(C)F)OC 527a_100000731041_100000062450 [0,1,1,0,0,0|1,0,0]=3 2518 B11R0.21 CCC(CNC(=O)C(F)F)OC 11a_100000731041_100000210393 [0,1,1,0,0,0|2,0,0]=4 2519 B11R0.21 CCC(CNC(=O)C(F)F)OC 1626a_100000731041_100000210393 [0,1,1,0,0,0|2,0,0]=4 2520 B11R0.21 CCC(CNC(=O)C(F)F)OC 240690a_100000731041_100000210393 [0,1,1,0,0,0|2,0,0]=4 2521 B11R0.21 CCC(CNC(=O)C(F)F)OC 527a_100000731041_100000210393 [0,1,1,0,0,0|2,0,0]=4 2522 B11R0.21 CCC(CNC(=O)C(O)O)OC 240690a_100000731041_100000233687 [0,1,1,0,0,0|2,0,0]=4 2523 B11R0.21 CCC(CNC(=O)N(C)C)OC 2708a_100000731041_100102631434 [0,1,1,0,0,0|2,0,0]=4 2524 B11R0.21 CCC(CNC(=O)[C@@H](C)O)OC 240690a_100000731041_100000717761 [0,1,1,0,0,0|1,0,0]=3 2525 B11R0.21 CCC(CNC(=O)[C@H](C)O)OC 1626a_100000731041_217856618621 [0,1,1,0,0,0|1,0,0]=3 2526 B11R0.21 CCC(CNC(=O)[C@H](C)O)OC 240690a_100000731041_217856618621 [0,1,1,0,0,0|1,0,0]=3 2527 B11R0.21 COC(CCC(=O)C(C)C)OC 1458a_100000210198_100000139399 [0,1,1,0,0,0|2,0,0]=4 2528 B11R0.21 COC(CCC(=O)C(C)C)OC 1458a_200000082759_100000210206 [0,1,1,0,0,0|2,0,0]=4 2529 B11R0.21 COC(CCC(=O)C(C)F)OC 1458a_100000062450_100000139399 [0,1,1,0,0,0|2,0,0]=4 2530 B11R0.21 COC(CCC(=O)[C@@H](C)O)OC 1458a_100000717761_100000139399 [0,1,1,0,0,0|2,0,0]=4 2531 B11R0.21 COC(CCC(=O)[C@H](C)O)OC 1458a_217856618621_100000139399 [0,1,1,0,0,0|2,0,0]=4 2532 B11R0.21 COC(CNC(=O)C(C)C)OC 11a_100000210479_100000210198 [0,1,1,0,0,0|2,0,0]=4 2533 B11R0.21 COC(CNC(=O)C(C)C)OC 1626a_100000210479_100000210198 [0,1,1,0,0,0|2,0,0]=4 2534 B11R0.21 COC(CNC(=O)C(C)C)OC 240690a_100000210479_100000210198 [0,1,1,0,0,0|2,0,0]=4 2535 B11R0.21 COC(CNC(=O)C(C)C)OC 527a_100000210479_100000210198 [0,1,1,0,0,0|2,0,0]=4 2536 B11R0.21 COC(CNC(=O)C(C)F)OC 11a_100000210479_100000062450 [0,1,1,0,0,0|2,0,0]=4 2537 B11R0.21 COC(CNC(=O)C(C)F)OC 1626a_100000210479_100000062450 [0,1,1,0,0,0|2,0,0]=4 2538 B11R0.21 COC(CNC(=O)C(C)F)OC 240690a_100000210479_100000062450 [0,1,1,0,0,0|2,0,0]=4 2539 B11R0.21 COC(CNC(=O)C(C)F)OC 527a_100000210479_100000062450 [0,1,1,0,0,0|2,0,0]=4 2540 B11R0.21 COC(CNC(=O)[C@@H](C)O)OC 240690a_100000210479_100000717761 [0,1,1,0,0,0|2,0,0]=4 2541 B11R0.21 COC(CNC(=O)[C@H](C)O)OC 1626a_100000210479_217856618621 [0,1,1,0,0,0|2,0,0]=4 2542 B11R0.21 COC(CNC(=O)[C@H](C)O)OC 240690a_100000210479_217856618621 [0,1,1,0,0,0|2,0,0]=4 2543 B11R0.65 CCC(=O)N(C)CC(OC)OC 11a_100000225562_100000210414 [0,1,1,0,0,0|2,0,0]=4 2544 B11R0.65 CCC(=O)N(C)CC(OC)OC 1626a_100000225562_100000210414 [0,1,1,0,0,0|2,0,0]=4 2545 B11R0.65 CCC(=O)N(C)CC(OC)OC 240690a_100000225562_100000210414 [0,1,1,0,0,0|2,0,0]=4 2546 B11R0.65 CCC(=O)N(C)CC(OC)OC 527a_100000225562_100000210414 [0,1,1,0,0,0|2,0,0]=4 2547 B11R0.90 CCC(=O)NCC(CC)N(C)C 11a_100000738386_100000210414 [0,1,1,0,0,0|2,0,0]=4 2548 B11R0.90 CCC(=O)NCC(CC)N(C)C 1626a_100000738386_100000210414 [0,1,1,0,0,0|2,0,0]=4 2549 B11R0.90 CCC(=O)NCC(CC)N(C)C 240690a_100000738386_100000210414 [0,1,1,0,0,0|2,0,0]=4 2550 B11R0.113 CCC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000747405 [0,1,1,0,0,0|1,0,1]=4 2551 B11R0.134 CCC(=O)COC(CC)COC 7a_200011214946_100000747405 [0,1,1,0,0,0|2,0,0]=4 2552 B11R0.134 CCOC(CC)CNC(=O)CC 11a_100015183923_100000210414 [0,1,1,0,0,0|1,0,0]=3 2553 B11R0.134 CCOC(CC)CNC(=O)CC 1626a_100015183923_100000210414 [0,1,1,0,0,0|1,0,0]=3 2554 B11R0.134 CCOC(CC)CNC(=O)CC 240690a_100015183923_100000210414 [0,1,1,0,0,0|1,0,0]=3 2555 B11R0.134 CCOC(CC)CNC(=O)CC 527a_100015183923_100000210414 [0,1,1,0,0,0|1,0,0]=3 2556 B11R0.134 CCOC(CC)CNC(=O)CO 240690a_100015183923_100000210174 [0,1,1,0,0,0|2,0,0]=4 2557 B11R0.134 CCOC(CC)CNC(=O)CO 527a_100015183923_100000210174 [0,1,1,0,0,0|2,0,0]=4 2558 B11R0.134 CCOC(CC)CNC(=O)NC 2708a_100015183923_106832991635 [0,1,1,0,0,0|2,0,0]=4 2559 B11R0.134 CCOC(CC)CNC(=O)NC 2708a_100102657272_100015183923 [0,1,1,0,0,0|2,0,0]=4 2560 B11R0.134 CCOC(CC)CNC(=O)NC 273464a_100015183923_100102657272 [0,1,1,0,0,0|2,0,0]=4 2561 B11R0.134 CCOC(CC)CNC(=O)NC 273464a_100102657272_100015183923 [0,1,1,0,0,0|2,0,0]=4 2562 B11R0.134 CCOC(CC)CNC(=O)NC 512a_100015183923_100102657272 [0,1,1,0,0,0|2,0,0]=4 2563 B11R0.134 CCOC(CC)CNC(=O)NC 512a_106832991638_100015183923 [0,1,1,0,0,0|2,0,0]=4 2564 B11R0.204 CCC(CNS(=O)(=O)CC)OC 270084a_100000731041_100000211323 [0,1,1,0,0,0|2,0,0]=4 2565 B11R0.204 CCC(CNS(=O)(=O)CC)OC 274078a_100000731041_100000211323 [0,1,1,0,0,0|2,0,0]=4 2566 B11R0.204 CCC(CNS(=O)(=O)CC)OC 40a_100000731041_100000053943 [0,1,1,0,0,0|2,0,0]=4 2567 B11R0.204 CCC(COC(C)(C)CC)OC 7a_100011934954_100000210677 [0,1,1,0,0,0|1,0,1]=4 2568 B11R0.264 CCC(=O)NCC(C)(OC)OC 11a_100000732740_100000210414 [0,1,1,0,0,0|2,0,0]=4 2569 B11R0.264 CCC(=O)NCC(C)(OC)OC 1626a_100000732740_100000210414 [0,1,1,0,0,0|2,0,0]=4 2570 B11R0.264 CCC(=O)NCC(C)(OC)OC 527a_100000732740_100000210414 [0,1,1,0,0,0|2,0,0]=4 2571 B11R0.314 CCC(COC(CC)CC)OC 7a_100011934954_100000210505 [0,1,1,0,0,0|1,0,1]=4 2572 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,1,1,0,0,0|1,0,1]=4 2573 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,1,1,0,0,0|1,0,1]=4 2574 B11R0.4 C#CCC(=O)NCCOCCC 1626a_100161115042_100011220946 [0,1,1,0,0,0|1,0,1]=4 2575 B11R0.4 C#CCC(=O)NCCOCCC 527a_100161115042_100011220946 [0,1,1,0,0,0|1,0,1]=4 2576 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,1,0,0,0|1,0,1]=4 2577 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,1,0,0,0|1,0,1]=4 2578 B11R0.4 C=CCC(=O)NCCCCCO 240690a_100000762737_100000210193 [0,1,1,0,0,0|1,0,1]=4 2579 B11R0.4 C=CCC(=O)NCCOCCC 1626a_100161115042_100000210193 [0,1,1,0,0,0|1,0,1]=4 2580 B11R0.4 C=CCC(=O)NCCOCCC 240690a_100161115042_100000210193 [0,1,1,0,0,0|1,0,1]=4 2581 B11R0.4 C=CCC(=O)NCCOCCC 527a_100161115042_100000210193 [0,1,1,0,0,0|1,0,1]=4 2582 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,1,1,0,0,0|1,0,1]=4 2583 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [0,1,1,0,0,0|1,0,1]=4 2584 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,1,1,0,0,0|1,0,1]=4 2585 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,1,1,0,0,0|1,0,1]=4 2586 B11R0.4 CC=CC(=O)NCCOCCC 1626a_100161115042_100000210699 [0,1,1,0,0,0|1,0,1]=4 2587 B11R0.4 CC=CC(=O)NCCOCCC 240690a_100161115042_100000210699 [0,1,1,0,0,0|1,0,1]=4 2588 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,1,0,0,0|2,0,0]=4 2589 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,1,0,0,0|1,0,0]=3 2590 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,1,0,0,0|1,0,0]=3 2591 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,1,1,0,0,0|2,0,0]=4 2592 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,1,1,0,0,0|2,0,0]=4 2593 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,1,1,0,0,0|2,0,0]=4 2594 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,1,1,0,0,0|1,0,0]=3 2595 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,1,1,0,0,0|2,0,0]=4 2596 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,1,1,0,0,0|2,0,0]=4 2597 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,1,1,0,0,0|2,0,0]=4 2598 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,1,1,0,0,0|2,0,0]=4 2599 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,1,1,0,0,0|2,0,0]=4 2600 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,1,1,0,0,0|2,0,0]=4 2601 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,1,1,0,0,0|2,0,0]=4 2602 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,1,1,0,0,0|2,0,0]=4 2603 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,1,1,0,0,0|2,0,0]=4 2604 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,1,1,0,0,0|2,0,0]=4 2605 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,1,1,0,0,0|1,0,0]=3 2606 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,1,1,0,0,0|1,0,1]=4 2607 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,1,1,0,0,0|1,0,1]=4 2608 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,1,0,0,0|2,0,0]=4 2609 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,1,0,0,0|2,0,0]=4 2610 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,1,0,0,0|2,0,0]=4 2611 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,1,0,0,0|2,0,0]=4 2612 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,1,0,0,0|2,0,0]=4 2613 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,1,0,0,0|2,0,0]=4 2614 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,1,0,0,0|2,0,0]=4 2615 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,1,0,0,0|2,0,0]=4 2616 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,1,0,0,0|2,0,0]=4 2617 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,1,0,0,0|2,0,0]=4 2618 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,1,0,0,0|2,0,0]=4 2619 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,1,0,0,0|2,0,0]=4 2620 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,1,0,0,0|2,0,0]=4 2621 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,1,0,0,0|2,0,0]=4 2622 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,1,0,0,0|2,0,0]=4 2623 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,1,0,0,0|2,0,0]=4 2624 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,1,0,0,0|2,0,0]=4 2625 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,1,0,0,0|2,0,0]=4 2626 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,1,0,0,0|2,0,0]=4 2627 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,1,0,0,0|2,0,0]=4 2628 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,1,0,0,0|2,0,0]=4 2629 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,1,0,0,0|2,0,0]=4 2630 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,1,0,0,0|2,0,0]=4 2631 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,1,0,0,0|2,0,0]=4 2632 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,1,0,0,0|2,0,0]=4 2633 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,1,0,0,0|2,0,0]=4 2634 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,1,0,0,0|2,0,0]=4 2635 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,1,0,0,0|2,0,0]=4 2636 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,1,0,0,0|2,0,0]=4 2637 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,1,0,0,0|2,0,0]=4 2638 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,1,0,0,0|2,0,0]=4 2639 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,1,0,0,0|2,0,0]=4 2640 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,1,0,0,0|2,0,0]=4 2641 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,1,0,0,0|2,0,0]=4 2642 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,1,0,0,0|2,0,0]=4 2643 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,1,1,0,0,0|2,0,0]=4 2644 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,1,1,0,0,0|2,0,0]=4 2645 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,1,1,0,0,0|2,0,0]=4 2646 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,1,1,0,0,0|2,0,0]=4 2647 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,1,1,0,0,0|1,0,1]=4 2648 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,1,0,0,0|1,0,0]=3 2649 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,1,0,0,0|1,0,0]=3 2650 B11R0.4 CCCOCCNC(=O)CC#N 1626a_100161115042_100051588842 [0,1,1,0,0,0|1,0,1]=4 2651 B11R0.4 CCCOCCNC(=O)CC#N 240690a_100161115042_100051588842 [0,1,1,0,0,0|1,0,1]=4 2652 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,1,1,0,0,0|1,0,0]=3 2653 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,1,1,0,0,0|1,0,0]=3 2654 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,1,1,0,0,0|1,0,0]=3 2655 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,1,0,0,0|1,0,0]=3 2656 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,1,0,0,0|1,0,0]=3 2657 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,1,0,0,0|1,0,0]=3 2658 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,1,0,0,0|1,0,0]=3 2659 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,1,1,0,0,0|1,0,0]=3 2660 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,1,1,0,0,0|1,0,0]=3 2661 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,1,1,0,0,0|1,0,0]=3 2662 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,1,1,0,0,0|1,0,0]=3 2663 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,1,1,0,0,0|1,0,0]=3 2664 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,1,1,0,0,0|1,0,0]=3 2665 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,1,1,0,0,0|1,0,0]=3 2666 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,1,1,0,0,0|1,0,0]=3 2667 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,1,1,0,0,0|1,0,0]=3 2668 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,1,1,0,0,0|2,0,0]=4 2669 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,1,1,0,0,0|2,0,0]=4 2670 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,1,1,0,0,0|2,0,0]=4 2671 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,1,1,0,0,0|1,0,0]=3 2672 B11R0.4 CCCOCCOC(C)CCBr 34a_100012276601_100011215938 [0,1,1,0,0,0|1,0,1]=4 2673 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,1,1,0,0,0|1,0,1]=4 2674 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,1,1,0,0,0|1,0,1]=4 2675 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,1,1,0,0,0|1,0,1]=4 2676 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,1,1,0,0,0|1,0,1]=4 2677 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,1,1,0,0,0|1,0,1]=4 2678 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,1,1,0,0,0|1,0,1]=4 2679 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [0,1,1,0,0,0|1,0,1]=4 2680 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [0,1,1,0,0,0|1,0,1]=4 2681 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [0,1,1,0,0,0|1,0,1]=4 2682 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,1,0,0,0|1,1,0]=4 2683 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,1,0,0,0|1,1,0]=4 2684 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,1,1,0,0,0|1,1,0]=4 2685 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,1,1,0,0,0|1,1,0]=4 2686 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,1,1,0,0,0|1,1,0]=4 2687 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,1,0,0,0|1,1,0]=4 2688 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,1,0,0,0|1,1,0]=4 2689 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,1,0,0,0|1,1,0]=4 2690 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,1,0,0,0|1,1,0]=4 2691 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,1,1,0,0,0|1,1,0]=4 2692 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,1,1,0,0,0|1,1,0]=4 2693 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,1,1,0,0,0|1,1,0]=4 2694 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,1,1,0,0,0|1,1,0]=4 2695 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,1,1,0,0,0|1,1,0]=4 2696 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,1,1,0,0,0|1,1,0]=4 2697 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,1,1,0,0,0|1,1,0]=4 2698 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,1,1,0,0,0|1,1,0]=4 2699 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,1,1,0,0,0|1,1,0]=4 2700 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,1,1,0,0,0|1,1,0]=4 2701 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,1,0,0,0|1,0,0]=3 2702 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,1,1,0,0,0|2,0,0]=4 2703 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,1,1,0,0,0|2,0,0]=4 2704 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,1,1,0,0,0|2,0,0]=4 2705 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,1,1,0,0,0|2,0,0]=4 2706 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,1,1,0,0,0|2,0,0]=4 2707 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,1,1,0,0,0|2,0,0]=4 2708 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,1,1,0,0,0|2,0,0]=4 2709 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,1,1,0,0,0|2,0,0]=4 2710 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,1,1,0,0,0|1,0,0]=3 2711 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,1,1,0,0,0|1,0,0]=3 2712 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,1,1,0,0,0|1,0,0]=3 2713 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,1,1,0,0,0|1,0,0]=3 2714 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,1,1,0,0,0|1,0,0]=3 2715 B11R0.4 CCNC(=O)NCCOCCO 2708a_100015525214_100000211614 [0,1,1,0,0,0|2,0,0]=4 2716 B11R0.4 CCNC(=O)NCCOCCO 273464a_100000211614_100015525214 [0,1,1,0,0,0|2,0,0]=4 2717 B11R0.4 CCNC(=O)NCCOCCO 273464a_100015525214_100000211614 [0,1,1,0,0,0|2,0,0]=4 2718 B11R0.4 CCNC(=O)NCCOCCO 512a_100000211614_100015525214 [0,1,1,0,0,0|2,0,0]=4 2719 B11R0.4 CCNC(=O)NCCSCCO 2708a_100015525214_100011219999 [0,1,1,0,0,0|2,0,0]=4 2720 B11R0.4 CCNC(=O)NCCSCCO 273464a_100011219999_100015525214 [0,1,1,0,0,0|2,0,0]=4 2721 B11R0.4 CCNC(=O)NCCSCCO 273464a_100015525214_100011219999 [0,1,1,0,0,0|2,0,0]=4 2722 B11R0.4 CCNC(=O)NCCSCCO 512a_100011219999_100015525214 [0,1,1,0,0,0|2,0,0]=4 2723 B11R0.4 CCNC(=O)NCCSCCO 512a_100015525214_100011219999 [0,1,1,0,0,0|2,0,0]=4 2724 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,1,1,0,0,0|2,0,0]=4 2725 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,1,1,0,0,0|2,0,0]=4 2726 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,1,1,0,0,0|2,0,0]=4 2727 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,1,1,0,0,0|2,0,0]=4 2728 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,1,1,0,0,0|2,0,0]=4 2729 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,1,1,0,0,0|2,0,0]=4 2730 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,1,1,0,0,0|2,0,0]=4 2731 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,1,1,0,0,0|2,0,0]=4 2732 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,1,1,0,0,0|2,0,0]=4 2733 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,1,1,0,0,0|2,0,0]=4 2734 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,1,1,0,0,0|2,0,0]=4 2735 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,1,1,0,0,0|2,0,0]=4 2736 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,1,1,0,0,0|2,0,0]=4 2737 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,1,1,0,0,0|2,0,0]=4 2738 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,1,1,0,0,0|2,0,0]=4 2739 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,1,1,0,0,0|2,0,0]=4 2740 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,1,1,0,0,0|2,0,0]=4 2741 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,1,1,0,0,0|2,0,0]=4 2742 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,1,1,0,0,0|2,0,0]=4 2743 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,1,1,0,0,0|1,0,0]=3 2744 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,1,1,0,0,0|2,0,0]=4 2745 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,1,1,0,0,0|2,0,0]=4 2746 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,1,1,0,0,0|2,0,0]=4 2747 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,1,0,0,0|2,0,0]=4 2748 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,1,0,0,0|1,0,0]=3 2749 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,1,0,0,0|1,0,0]=3 2750 B11R0.4 COCC(=O)NCCOCCO 240690a_100000211614_100000210968 [0,1,1,0,0,0|2,0,0]=4 2751 B11R0.4 COCC(=O)NCCSCCO 240690a_100011219999_100000210968 [0,1,1,0,0,0|2,0,0]=4 2752 B11R0.4 COCC(=O)NCCSCCO 527a_100011219999_100000210968 [0,1,1,0,0,0|2,0,0]=4 2753 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,1,1,0,0,0|1,0,1]=4 2754 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,1,0,0,0|2,0,0]=4 2755 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,1,0,0,0|1,0,0]=3 2756 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,1,1,0,0,0|1,0,0]=3 2757 B11R0.4 CSCC(=O)NCCOCCO 240690a_100000211614_100000184570 [0,1,1,0,0,0|2,0,0]=4 2758 B11R0.4 CSCC(=O)NCCSCCO 240690a_100011219999_100000184570 [0,1,1,0,0,0|2,0,0]=4 2759 B11R0.4 CSCC(=O)NCCSCCO 527a_100011219999_100000184570 [0,1,1,0,0,0|2,0,0]=4 2760 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,1,1,0,0,0|1,0,1]=4 2761 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,1,1,0,0,0|1,0,1]=4 2762 B11R0.4 N#CCC(=O)NCCCCCO 240690a_100000762737_100051588842 [0,1,1,0,0,0|1,0,1]=4 2763 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,1,0,0,0|1,0,0]=3 2764 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,1,0,0,0|2,0,0]=4 2765 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,1,0,0,0|1,0,0]=3 2766 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,1,0,0,0|1,0,0]=3 2767 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,1,1,0,0,0|1,0,0]=3 2768 B11R0.4 O=C(CCO)NCCOCCO 240690a_100000211614_100011216618 [0,1,1,0,0,0|2,0,0]=4 2769 B11R0.4 O=C(CCO)NCCSCCO 240690a_100011219999_100011216618 [0,1,1,0,0,0|2,0,0]=4 2770 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,1,0,0,0|2,0,0]=4 2771 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,1,0,0,0|2,0,0]=4 2772 B11R0.40 C#CCCCCOCC(=O)CC 34a_100000725409_100010269958 [0,1,1,0,0,0|1,0,1]=4 2773 B11R0.40 C#CCCCCOCC(=O)CC 7a_100000766709_100000747405 [0,1,1,0,0,0|1,0,1]=4 2774 B11R0.40 C#CCCOCCNC(=O)CC 34a_200000158885_100000688953 [0,1,1,0,0,0|1,0,1]=4 2775 B11R0.40 C#CCCOCCNC(=O)CC 7a_200000158885_100000688953 [0,1,1,0,0,0|1,0,1]=4 2776 B11R0.40 C#CCCOCCOC(=O)CC 7a_200000031056_100000688953 [0,1,1,0,0,0|0,0,1]=3 2777 B11R0.40 C#CCCOCCOC(=O)NC 34a_100011215631_200011997002 [0,1,1,0,0,0|1,0,1]=4 2778 B11R0.40 C#CCCOCCOC(=O)OC 34a_100010262106_100000688953 [0,1,1,0,0,0|1,0,1]=4 2779 B11R0.40 C#CCOCCOCC(=O)CC 34a_100000725409_100010402529 [0,1,1,0,0,0|0,0,2]=4 2780 B11R0.40 C#CCOCCOCC(=O)CC 7a_100000054580_100000747405 [0,1,1,0,0,0|0,0,2]=4 2781 B11R0.40 C/C=C/COCCNC(=O)CC 34a_200000158885_100102629194 [0,1,1,0,0,0|1,0,1]=4 2782 B11R0.40 C/C=C/COCCNC(=O)CC 7a_200000158885_100102629194 [0,1,1,0,0,0|1,0,1]=4 2783 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [0,1,1,0,0,0|0,0,1]=3 2784 B11R0.40 C/C=C/COCCOC(=O)NC 34a_100016270725_200011997002 [0,1,1,0,0,0|1,0,1]=4 2785 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [0,1,1,0,0,0|1,0,1]=4 2786 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,1,1,0,0,0|0,0,2]=4 2787 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,1,1,0,0,0|0,0,2]=4 2788 B11R0.40 C=CC(=O)OCCOCCCBr 34a_100011217188_100009813456 [0,1,1,0,0,0|0,0,2]=4 2789 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,1,1,0,0,0|0,0,2]=4 2790 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,1,1,0,0,0|0,0,2]=4 2791 B11R0.40 C=CC(=O)OCCOCCCCl 34a_100000230001_100009813456 [0,1,1,0,0,0|0,0,2]=4 2792 B11R0.40 C=CC(=O)OCCOCCCF 34a_100000759539_100009813456 [0,1,1,0,0,0|0,0,2]=4 2793 B11R0.40 C=CC(=O)OCCOCCCN 34a_100000182051_100009813456 [0,1,1,0,0,0|0,0,2]=4 2794 B11R0.40 C=CC(=O)OCCOCCOC 34a_100000210237_100009813456 [0,1,1,0,0,0|0,0,2]=4 2795 B11R0.40 C=CC(=O)OCCOCCSC 34a_100000230434_100009813456 [0,1,1,0,0,0|0,0,2]=4 2796 B11R0.40 C=CC(=O)OCCOCCSC 7a_100000230434_100009813456 [0,1,1,0,0,0|0,0,2]=4 2797 B11R0.40 C=CC(=O)OCCSCCCO 62a_100009813456_100011215043 [0,1,1,0,0,0|0,0,2]=4 2798 B11R0.40 C=CC(=O)OCCSCCCO 62a_100011215043_100009813456 [0,1,1,0,0,0|0,0,2]=4 2799 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,1,0,0,0|2,0,0]=4 2800 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,1,0,0,0|2,0,0]=4 2801 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,1,1,0,0,0|1,0,1]=4 2802 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,1,1,0,0,0|1,0,1]=4 2803 B11R0.40 C=CCCOCCNC(=O)CC 34a_200000158885_100000754431 [0,1,1,0,0,0|1,0,1]=4 2804 B11R0.40 C=CCCOCCNC(=O)CC 7a_200000158885_100000754431 [0,1,1,0,0,0|1,0,1]=4 2805 B11R0.40 C=CCCOCCOC(=O)CC 7a_200000031056_100000754431 [0,1,1,0,0,0|0,0,1]=3 2806 B11R0.40 C=CCCOCCOC(=O)NC 34a_100011205117_200011997002 [0,1,1,0,0,0|1,0,1]=4 2807 B11R0.40 C=CCCOCCOC(=O)OC 34a_100010262106_100000754431 [0,1,1,0,0,0|1,0,1]=4 2808 B11R0.40 C=CCOCCOCC(=O)CC 7a_100000037705_100000747405 [0,1,1,0,0,0|0,0,2]=4 2809 B11R0.40 CC#CCOCCNC(=O)CC 34a_200000158885_100000748600 [0,1,1,0,0,0|1,0,1]=4 2810 B11R0.40 CC#CCOCCNC(=O)CC 7a_200000158885_100000748600 [0,1,1,0,0,0|1,0,1]=4 2811 B11R0.40 CC#CCOCCOC(=O)CC 7a_200000031056_100000748600 [0,1,1,0,0,0|0,0,1]=3 2812 B11R0.40 CC#CCOCCOC(=O)NC 34a_100000761923_200011997002 [0,1,1,0,0,0|1,0,1]=4 2813 B11R0.40 CC#CCOCCOC(=O)OC 34a_100010262106_100000748600 [0,1,1,0,0,0|1,0,1]=4 2814 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,1,1,0,0,0|1,0,1]=4 2815 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,1,1,0,0,0|1,0,1]=4 2816 B11R0.40 CC=CCOCCNC(=O)CC 34a_200000158885_100000070051 [0,1,1,0,0,0|1,0,1]=4 2817 B11R0.40 CC=CCOCCNC(=O)CC 7a_200000158885_100000070051 [0,1,1,0,0,0|1,0,1]=4 2818 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [0,1,1,0,0,0|0,0,1]=3 2819 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [0,1,1,0,0,0|1,0,1]=4 2820 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [0,1,1,0,0,0|1,0,1]=4 2821 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,1,0,0,0|2,0,0]=4 2822 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,1,0,0,0|1,0,0]=3 2823 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,1,0,0,0|1,0,0]=3 2824 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,1,0,0,0|1,0,0]=3 2825 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,1,1,0,0,0|1,0,0]=3 2826 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,1,0,0,0|1,0,0]=3 2827 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,1,0,0,0|1,0,0]=3 2828 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,1,0,0,0|1,0,0]=3 2829 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,1,0,0,0|1,0,0]=3 2830 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,1,0,0,0|0,0,0]=2 2831 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,1,0,0,0|2,0,0]=4 2832 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,1,0,0,0|2,0,0]=4 2833 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [0,1,1,0,0,0|1,0,0]=3 2834 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [0,1,1,0,0,0|1,0,0]=3 2835 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [0,1,1,0,0,0|1,0,0]=3 2836 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [0,1,1,0,0,0|1,0,0]=3 2837 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,1,1,0,0,0|1,0,0]=3 2838 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,1,1,0,0,0|1,0,0]=3 2839 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,1,0,0,0|1,1,0]=4 2840 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,1,0,0,0|1,1,0]=4 2841 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,1,0,0,0|0,1,0]=3 2842 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,1,0,0,0|0,1,0]=3 2843 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,1,0,0,0|2,0,0]=4 2844 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,1,0,0,0|2,0,0]=4 2845 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,1,1,0,0,0|1,1,0]=4 2846 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,1,1,0,0,0|1,1,0]=4 2847 B11R0.40 CCC(=O)CSCOCCOC 62a_100000231047_100000747405 [0,1,1,0,0,0|2,0,0]=4 2848 B11R0.40 CCC(=O)CSCOCCOC 62a_100000747405_100000231047 [0,1,1,0,0,0|2,0,0]=4 2849 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,1,1,0,0,0|2,0,0]=4 2850 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,1,1,0,0,0|2,0,0]=4 2851 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,1,1,0,0,0|2,0,0]=4 2852 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,1,1,0,0,0|2,0,0]=4 2853 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,1,0,0,0|1,0,0]=3 2854 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,1,0,0,0|1,0,0]=3 2855 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,1,0,0,0|1,0,0]=3 2856 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,1,0,0,0|1,0,0]=3 2857 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,1,0,0,0|1,0,0]=3 2858 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,1,0,0,0|1,0,0]=3 2859 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,1,1,0,0,0|2,0,0]=4 2860 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,1,1,0,0,0|1,0,0]=3 2861 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,1,1,0,0,0|2,0,0]=4 2862 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [0,1,1,0,0,0|2,0,0]=4 2863 B11R0.40 CCC(=O)NCCOCCC#N 7a_200000158885_100000184422 [0,1,1,0,0,0|1,0,1]=4 2864 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,1,1,0,0,0|1,0,0]=3 2865 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,1,1,0,0,0|1,0,0]=3 2866 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,1,1,0,0,0|1,0,0]=3 2867 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,1,1,0,0,0|1,0,0]=3 2868 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,1,1,0,0,0|1,0,0]=3 2869 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,1,1,0,0,0|1,0,0]=3 2870 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,1,1,0,0,0|1,0,0]=3 2871 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,1,1,0,0,0|1,0,0]=3 2872 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,1,1,0,0,0|1,0,0]=3 2873 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,1,1,0,0,0|1,0,0]=3 2874 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,1,1,0,0,0|1,0,0]=3 2875 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,1,1,0,0,0|1,0,0]=3 2876 B11R0.40 CCC(=O)NN=CCCCCO 4a_100000183195_100000031955 [0,1,1,0,0,0|1,0,1]=4 2877 B11R0.40 CCC(=O)OCCOCCC#N 7a_200000031056_100000184422 [0,1,1,0,0,0|0,0,1]=3 2878 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,1,1,0,0,0|0,0,0]=2 2879 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,1,1,0,0,0|0,0,0]=2 2880 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,1,1,0,0,0|0,0,0]=2 2881 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,1,1,0,0,0|0,0,0]=2 2882 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,1,1,0,0,0|1,0,1]=4 2883 B11R0.40 CCC(C)OCCOCCNC 34a_100000228057_100011215416 [0,1,1,0,0,0|1,0,1]=4 2884 B11R0.40 CCC(C)OCCOCCOC 34a_100011215163_100011215416 [0,1,1,0,0,0|1,0,1]=4 2885 B11R0.40 CCC(C)OCCOCCOC 7a_100000210228_100000695917 [0,1,1,0,0,0|1,0,1]=4 2886 B11R0.40 CCC(C)OCCOCCOC 7a_100011215163_100000758301 [0,1,1,0,0,0|1,0,1]=4 2887 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,1,1,0,0,0|1,0,1]=4 2888 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [0,1,1,0,0,0|1,0,1]=4 2889 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,1,0,0,0|2,0,0]=4 2890 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,1,0,0,0|2,0,0]=4 2891 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,1,0,0,0|2,0,0]=4 2892 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,1,0,0,0|2,0,0]=4 2893 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,1,0,0,0|2,0,0]=4 2894 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,1,0,0,0|2,0,0]=4 2895 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,1,0,0,0|2,0,0]=4 2896 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,1,0,0,0|1,0,0]=3 2897 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,1,0,0,0|1,0,0]=3 2898 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,1,0,0,0|2,0,0]=4 2899 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,1,0,0,0|2,0,0]=4 2900 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,1,0,0,0|2,0,0]=4 2901 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,1,0,0,0|2,0,0]=4 2902 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,1,0,0,0|2,0,0]=4 2903 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,1,0,0,0|1,1,0]=4 2904 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,1,0,0,0|1,1,0]=4 2905 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,1,0,0,0|2,0,0]=4 2906 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,1,0,0,0|2,0,0]=4 2907 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,1,0,0,0|2,0,0]=4 2908 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,1,0,0,0|2,0,0]=4 2909 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,1,0,0,0|2,0,0]=4 2910 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,1,0,0,0|2,0,0]=4 2911 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,1,0,0,0|2,0,0]=4 2912 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,1,0,0,0|1,0,0]=3 2913 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,1,0,0,0|1,0,0]=3 2914 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,1,0,0,0|2,0,0]=4 2915 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,1,0,0,0|0,0,0]=2 2916 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,1,0,0,0|1,0,0]=3 2917 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,1,0,0,0|1,0,0]=3 2918 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,1,0,0,0|1,0,0]=3 2919 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,1,1,0,0,0|1,0,1]=4 2920 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,1,1,0,0,0|1,0,1]=4 2921 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,1,1,0,0,0|1,0,1]=4 2922 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,1,0,0,0|2,0,0]=4 2923 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,1,0,0,0|2,0,0]=4 2924 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,1,0,0,0|2,0,0]=4 2925 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,1,0,0,0|1,1,0]=4 2926 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,1,0,0,0|1,1,0]=4 2927 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,1,0,0,0|1,1,0]=4 2928 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,1,0,0,0|1,1,0]=4 2929 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,1,0,0,0|1,1,0]=4 2930 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,1,0,0,0|1,1,0]=4 2931 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,1,0,0,0|2,0,0]=4 2932 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,1,0,0,0|2,0,0]=4 2933 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,1,0,0,0|2,0,0]=4 2934 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,1,0,0,0|1,0,0]=3 2935 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,1,0,0,0|1,0,0]=3 2936 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,1,0,0,0|1,0,0]=3 2937 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,1,0,0,0|2,0,0]=4 2938 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,1,0,0,0|2,0,0]=4 2939 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,1,1,0,0,0|2,0,0]=4 2940 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,1,1,0,0,0|2,0,0]=4 2941 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,1,1,0,0,0|2,0,0]=4 2942 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,1,1,0,0,0|2,0,0]=4 2943 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,1,1,0,0,0|2,0,0]=4 2944 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,1,1,0,0,0|2,0,0]=4 2945 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,1,1,0,0,0|2,0,0]=4 2946 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,1,1,0,0,0|2,0,0]=4 2947 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,1,1,0,0,0|2,0,0]=4 2948 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,1,0,0,0|2,0,0]=4 2949 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,1,0,0,0|2,0,0]=4 2950 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,1,0,0,0|0,0,0]=2 2951 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,1,0,0,0|0,0,0]=2 2952 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,1,0,0,0|1,0,0]=3 2953 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,1,0,0,0|1,0,0]=3 2954 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,1,0,0,0|1,0,0]=3 2955 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,1,0,0,0|1,0,0]=3 2956 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,1,0,0,0|1,0,0]=3 2957 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,1,0,0,0|1,0,0]=3 2958 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,1,1,0,0,0|1,0,1]=4 2959 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,1,1,0,0,0|1,0,1]=4 2960 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,1,1,0,0,0|0,0,2]=4 2961 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,1,1,0,0,0|0,0,2]=4 2962 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,1,1,0,0,0|1,0,1]=4 2963 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,1,1,0,0,0|1,0,1]=4 2964 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,1,1,0,0,0|1,0,1]=4 2965 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,1,0,0,0|0,1,0]=3 2966 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,1,0,0,0|0,1,0]=3 2967 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,1,1,0,0,0|1,1,0]=4 2968 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,1,1,0,0,0|1,1,0]=4 2969 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,1,0,0,0|1,1,0]=4 2970 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,1,0,0,0|1,1,0]=4 2971 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,1,0,0,0|0,1,0]=3 2972 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,1,0,0,0|1,1,0]=4 2973 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,1,0,0,0|1,1,0]=4 2974 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,1,0,0,0|1,1,0]=4 2975 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,1,0,0,0|1,1,0]=4 2976 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,1,0,0,0|1,1,0]=4 2977 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,1,0,0,0|1,1,0]=4 2978 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,1,0,0,0|2,0,0]=4 2979 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,1,0,0,0|2,0,0]=4 2980 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,1,1,0,0,0|1,1,0]=4 2981 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,1,1,0,0,0|1,1,0]=4 2982 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,1,0,0,0|2,0,0]=4 2983 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,1,1,0,0,0|1,0,1]=4 2984 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,1,0,0,0|2,0,0]=4 2985 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,1,1,0,0,0|2,0,0]=4 2986 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,1,1,0,0,0|2,0,0]=4 2987 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,1,1,0,0,0|2,0,0]=4 2988 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,1,1,0,0,0|2,0,0]=4 2989 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,1,1,0,0,0|2,0,0]=4 2990 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,1,1,0,0,0|2,0,0]=4 2991 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,1,1,0,0,0|2,0,0]=4 2992 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,1,1,0,0,0|2,0,0]=4 2993 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,1,1,0,0,0|2,0,0]=4 2994 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,1,1,0,0,0|2,0,0]=4 2995 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,1,1,0,0,0|2,0,0]=4 2996 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,1,1,0,0,0|2,0,0]=4 2997 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,1,1,0,0,0|2,0,0]=4 2998 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,1,1,0,0,0|2,0,0]=4 2999 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,1,1,0,0,0|2,0,0]=4 3000 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,1,1,0,0,0|2,0,0]=4 3001 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,1,1,0,0,0|2,0,0]=4 3002 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,1,1,0,0,0|2,0,0]=4 3003 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,1,0,0,0|2,0,0]=4 3004 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,1,0,0,0|2,0,0]=4 3005 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,1,0,0,0|2,0,0]=4 3006 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,1,1,0,0,0|2,0,0]=4 3007 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,1,1,0,0,0|2,0,0]=4 3008 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,1,1,0,0,0|2,0,0]=4 3009 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,1,1,0,0,0|2,0,0]=4 3010 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,1,1,0,0,0|2,0,0]=4 3011 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,1,1,0,0,0|2,0,0]=4 3012 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,1,1,0,0,0|2,0,0]=4 3013 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,1,0,0,0|2,0,0]=4 3014 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,1,0,0,0|1,0,0]=3 3015 B11R0.40 CNC(=O)COCCOCCBr 34a_100000692535_100000183359 [0,1,1,0,0,0|2,0,0]=4 3016 B11R0.40 CNC(=O)COCCOCCBr 7a_100000692535_100000183359 [0,1,1,0,0,0|2,0,0]=4 3017 B11R0.40 CNC(=O)COCCOCCCl 34a_100011215305_100000183359 [0,1,1,0,0,0|2,0,0]=4 3018 B11R0.40 CNC(=O)COCCOCCCl 7a_100011215305_100000183359 [0,1,1,0,0,0|2,0,0]=4 3019 B11R0.40 CNC(=O)COCCOCCF 34a_200015357709_100000183359 [0,1,1,0,0,0|2,0,0]=4 3020 B11R0.40 CNC(=O)COCCOCCF 7a_200015357709_100000183359 [0,1,1,0,0,0|2,0,0]=4 3021 B11R0.40 CNC(=O)COCCOCCI 34a_100012149058_100000183359 [0,1,1,0,0,0|2,0,0]=4 3022 B11R0.40 CNC(=O)COCCOCCI 7a_100012149058_100000183359 [0,1,1,0,0,0|2,0,0]=4 3023 B11R0.40 CNC(=O)COCCOCCN 34a_100000211614_100000183359 [0,1,1,0,0,0|2,0,0]=4 3024 B11R0.40 CNC(=O)COCCOCCO 1626a_100102657272_106645077154 [0,1,1,0,0,0|2,0,0]=4 3025 B11R0.40 CNC(=O)COCCOCCO 240690a_100102657272_106645077154 [0,1,1,0,0,0|2,0,0]=4 3026 B11R0.40 CNC(=O)COCCOCCO 34a_100000750040_100000692535 [0,1,1,0,0,0|2,0,0]=4 3027 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,1,0,0,0|1,1,0]=4 3028 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,1,0,0,0|1,1,0]=4 3029 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,1,0,0,0|2,0,0]=4 3030 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,1,0,0,0|2,0,0]=4 3031 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,1,0,0,0|2,0,0]=4 3032 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,1,0,0,0|2,0,0]=4 3033 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,1,0,0,0|2,0,0]=4 3034 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,1,1,0,0,0|2,0,0]=4 3035 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,1,1,0,0,0|2,0,0]=4 3036 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,1,1,0,0,0|2,0,0]=4 3037 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,1,1,0,0,0|2,0,0]=4 3038 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,1,1,0,0,0|2,0,0]=4 3039 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,1,1,0,0,0|2,0,0]=4 3040 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,1,1,0,0,0|2,0,0]=4 3041 B11R0.40 CNC(=O)NCCOCCOC 2708a_100000745349_106832991635 [0,1,1,0,0,0|2,0,0]=4 3042 B11R0.40 CNC(=O)NCCOCCOC 2708a_100102657272_100000745349 [0,1,1,0,0,0|2,0,0]=4 3043 B11R0.40 CNC(=O)NCCOCCOC 273464a_100000745349_100102657272 [0,1,1,0,0,0|2,0,0]=4 3044 B11R0.40 CNC(=O)NCCOCCOC 273464a_100102657272_100000745349 [0,1,1,0,0,0|2,0,0]=4 3045 B11R0.40 CNC(=O)NCCOCCOC 512a_100000745349_100102657272 [0,1,1,0,0,0|2,0,0]=4 3046 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,1,1,0,0,0|2,0,0]=4 3047 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,1,1,0,0,0|1,0,0]=3 3048 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,1,1,0,0,0|1,0,0]=3 3049 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,1,1,0,0,0|1,0,0]=3 3050 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,1,1,0,0,0|1,0,0]=3 3051 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,1,1,0,0,0|1,0,0]=3 3052 B11R0.40 CNC(=O)OCCOCCON 34a_100000700252_200011997002 [0,1,1,0,0,0|2,0,0]=4 3053 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,1,1,0,0,0|1,0,0]=3 3054 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,1,1,0,0,0|1,0,0]=3 3055 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,1,1,0,0,0|1,1,0]=4 3056 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,1,1,0,0,0|1,1,0]=4 3057 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,1,1,0,0,0|1,0,0]=3 3058 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,1,1,0,0,0|1,0,0]=3 3059 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,1,1,0,0,0|1,1,0]=4 3060 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,1,1,0,0,0|1,1,0]=4 3061 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,1,1,0,0,0|1,1,0]=4 3062 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,1,1,0,0,0|1,1,0]=4 3063 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,1,0,0,0|2,0,0]=4 3064 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,1,0,0,0|2,0,0]=4 3065 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,1,0,0,0|2,0,0]=4 3066 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,1,0,0,0|2,0,0]=4 3067 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,1,0,0,0|2,0,0]=4 3068 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,1,0,0,0|2,0,0]=4 3069 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,1,0,0,0|2,0,0]=4 3070 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,1,0,0,0|2,0,0]=4 3071 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,1,1,0,0,0|2,0,0]=4 3072 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,1,1,0,0,0|2,0,0]=4 3073 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,1,1,0,0,0|2,0,0]=4 3074 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,1,0,0,0|2,0,0]=4 3075 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,1,1,0,0,0|2,0,0]=4 3076 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,1,1,0,0,0|2,0,0]=4 3077 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,1,0,0,0|2,0,0]=4 3078 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,1,0,0,0|2,0,0]=4 3079 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,1,0,0,0|2,0,0]=4 3080 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,1,0,0,0|2,0,0]=4 3081 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,1,0,0,0|2,0,0]=4 3082 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,1,0,0,0|2,0,0]=4 3083 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,1,0,0,0|2,0,0]=4 3084 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,1,0,0,0|2,0,0]=4 3085 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,1,0,0,0|2,0,0]=4 3086 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,1,0,0,0|2,0,0]=4 3087 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,1,0,0,0|2,0,0]=4 3088 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,1,0,0,0|2,0,0]=4 3089 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,1,0,0,0|2,0,0]=4 3090 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,1,0,0,0|2,0,0]=4 3091 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,1,0,0,0|2,0,0]=4 3092 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,1,1,0,0,0|2,0,0]=4 3093 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,1,1,0,0,0|2,0,0]=4 3094 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,1,1,0,0,0|2,0,0]=4 3095 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,1,1,0,0,0|2,0,0]=4 3096 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,1,1,0,0,0|2,0,0]=4 3097 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,1,1,0,0,0|2,0,0]=4 3098 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,1,1,0,0,0|2,0,0]=4 3099 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,1,1,0,0,0|2,0,0]=4 3100 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,1,1,0,0,0|2,0,0]=4 3101 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,1,1,0,0,0|2,0,0]=4 3102 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,1,1,0,0,0|2,0,0]=4 3103 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,1,1,0,0,0|2,0,0]=4 3104 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,1,1,0,0,0|2,0,0]=4 3105 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,1,1,0,0,0|2,0,0]=4 3106 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,1,1,0,0,0|2,0,0]=4 3107 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,1,0,0,0|1,1,0]=4 3108 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,1,0,0,0|1,1,0]=4 3109 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,1,1,0,0,0|2,0,0]=4 3110 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,1,1,0,0,0|2,0,0]=4 3111 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,1,1,0,0,0|2,0,0]=4 3112 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,1,1,0,0,0|1,0,0]=3 3113 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,1,1,0,0,0|1,0,0]=3 3114 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,1,1,0,0,0|1,0,0]=3 3115 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,1,1,0,0,0|2,0,0]=4 3116 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,1,1,0,0,0|1,0,0]=3 3117 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,1,0,0,0|2,0,0]=4 3118 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,1,0,0,0|2,0,0]=4 3119 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,1,0,0,0|2,0,0]=4 3120 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,1,0,0,0|2,0,0]=4 3121 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,1,0,0,0|2,0,0]=4 3122 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,1,0,0,0|2,0,0]=4 3123 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,1,1,0,0,0|2,0,0]=4 3124 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,1,1,0,0,0|2,0,0]=4 3125 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,1,1,0,0,0|2,0,0]=4 3126 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,1,1,0,0,0|2,0,0]=4 3127 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,1,1,0,0,0|2,0,0]=4 3128 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,1,1,0,0,0|2,0,0]=4 3129 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,1,1,0,0,0|1,0,0]=3 3130 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,1,0,0,0|2,0,0]=4 3131 B11R0.40 O=C(CF)COCCOCCO 1458a_106645077154_100015361967 [0,1,1,0,0,0|2,0,0]=4 3132 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,1,0,0,0|2,0,0]=4 3133 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,1,0,0,0|2,0,0]=4 3134 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,1,0,0,0|2,0,0]=4 3135 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,1,1,0,0,0|1,0,1]=4 3136 B11R0.42 C=C(C)C(=O)NCCOCCC 1626a_100161115042_100000185857 [0,1,1,0,0,0|1,0,1]=4 3137 B11R0.42 C=C(C)C(=O)OCCNCCO 2230a_100016997473_100009816335 [0,1,1,0,0,0|1,0,1]=4 3138 B11R0.42 C=C(C)C(=O)OCCNCCO 34a_100016990907_100009816335 [0,1,1,0,0,0|1,0,1]=4 3139 B11R0.42 C=C(C)C(=O)OCCOCCBr 34a_100000211926_100009816335 [0,1,1,0,0,0|1,0,1]=4 3140 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,1,1,0,0,0|0,0,1]=3 3141 B11R0.42 C=C(C)C(=O)OCCOCCN 34a_100000210304_100009816335 [0,1,1,0,0,0|1,0,1]=4 3142 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,1,1,0,0,0|0,1,1]=4 3143 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,1,1,0,0,0|0,1,1]=4 3144 B11R0.42 C=C(C)C(=O)OCCSCCO 62a_100000211926_100009816335 [0,1,1,0,0,0|1,0,1]=4 3145 B11R0.42 C=C(C)C(=O)OCCSCCO 62a_100009816335_100000211926 [0,1,1,0,0,0|1,0,1]=4 3146 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,1,1,0,0,0|2,0,0]=4 3147 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,1,1,0,0,0|1,0,0]=3 3148 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,1,1,0,0,0|1,0,0]=3 3149 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [0,1,1,0,0,0|2,0,0]=4 3150 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [0,1,1,0,0,0|2,0,0]=4 3151 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [0,1,1,0,0,0|2,0,0]=4 3152 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [0,1,1,0,0,0|2,0,0]=4 3153 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [0,1,1,0,0,0|1,0,0]=3 3154 B11R0.42 CC(C)C(=O)NCCNCCO 2230a_100000752568_100000211926 [0,1,1,0,0,0|2,0,0]=4 3155 B11R0.42 CC(C)C(=O)NCCNCCO 34a_100000752568_100000211926 [0,1,1,0,0,0|2,0,0]=4 3156 B11R0.42 CC(C)C(=O)NCCOCCO 240690a_100000211614_100000210198 [0,1,1,0,0,0|2,0,0]=4 3157 B11R0.42 CC(C)C(=O)NCCSCCO 240690a_100011219999_100000210198 [0,1,1,0,0,0|2,0,0]=4 3158 B11R0.42 CC(C)C(=O)NCCSCCO 527a_100011219999_100000210198 [0,1,1,0,0,0|2,0,0]=4 3159 B11R0.42 CC(C)C(=O)OCSCCCF 62a_100000139345_100011934791 [0,1,1,0,0,0|2,0,0]=4 3160 B11R0.42 CC(C)C(=O)OCSCCCF 62a_100011934791_100000139345 [0,1,1,0,0,0|2,0,0]=4 3161 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100000139345_100011215043 [0,1,1,0,0,0|1,0,0]=3 3162 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100011215043_100000139345 [0,1,1,0,0,0|1,0,0]=3 3163 B11R0.42 CC(C)C(C)OCCCCCO 7a_100000748068_100000746330 [0,1,1,0,0,0|1,0,1]=4 3164 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,1,1,0,0,0|2,0,0]=4 3165 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,1,1,0,0,0|1,0,0]=3 3166 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [0,1,1,0,0,0|1,0,0]=3 3167 B11R0.42 CC(F)C(=O)NCCOCCO 240690a_100000211614_100000062450 [0,1,1,0,0,0|2,0,0]=4 3168 B11R0.42 CC(F)C(=O)NCCSCCO 240690a_100011219999_100000062450 [0,1,1,0,0,0|2,0,0]=4 3169 B11R0.42 CC(F)C(=O)NCCSCCO 527a_100011219999_100000062450 [0,1,1,0,0,0|2,0,0]=4 3170 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,1,0,0,0|2,0,0]=4 3171 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,1,0,0,0|2,0,0]=4 3172 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,1,0,0,0|2,0,0]=4 3173 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,1,0,0,0|2,0,0]=4 3174 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,1,0,0,0|2,0,0]=4 3175 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,1,1,0,0,0|2,0,0]=4 3176 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,1,1,0,0,0|2,0,0]=4 3177 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,1,1,0,0,0|2,0,0]=4 3178 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,1,1,0,0,0|2,0,0]=4 3179 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,1,1,0,0,0|2,0,0]=4 3180 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,1,1,0,0,0|2,0,0]=4 3181 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,1,1,0,0,0|2,0,0]=4 3182 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,1,1,0,0,0|2,0,0]=4 3183 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,1,1,0,0,0|2,0,0]=4 3184 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,1,1,0,0,0|2,0,0]=4 3185 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,1,1,0,0,0|2,0,0]=4 3186 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000139345_100000210210 [0,1,1,0,0,0|2,0,0]=4 3187 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000210211_100000139345 [0,1,1,0,0,0|2,0,0]=4 3188 B11R0.42 CCCNCCNC(=O)C(C)C 2230a_100000752568_100000210303 [0,1,1,0,0,0|2,0,0]=4 3189 B11R0.42 CCCNCCNC(=O)C(C)C 34a_100000752568_100000210303 [0,1,1,0,0,0|2,0,0]=4 3190 B11R0.42 CCCOCCNC(=O)C(C)C 1626a_100161115042_100000210198 [0,1,1,0,0,0|1,0,0]=3 3191 B11R0.42 CCCOCCNC(=O)C(C)C 240690a_100161115042_100000210198 [0,1,1,0,0,0|1,0,0]=3 3192 B11R0.42 CCCOCCNC(=O)C(C)C 527a_100161115042_100000210198 [0,1,1,0,0,0|1,0,0]=3 3193 B11R0.42 CCCOCCNC(=O)C(C)F 1626a_100161115042_100000062450 [0,1,1,0,0,0|1,0,0]=3 3194 B11R0.42 CCCOCCNC(=O)C(C)F 240690a_100161115042_100000062450 [0,1,1,0,0,0|1,0,0]=3 3195 B11R0.42 CCCOCCNC(=O)C(C)F 527a_100161115042_100000062450 [0,1,1,0,0,0|1,0,0]=3 3196 B11R0.42 CCCOCCNC(=O)C(F)F 1626a_100161115042_100000210393 [0,1,1,0,0,0|2,0,0]=4 3197 B11R0.42 CCCOCCNC(=O)C(F)F 240690a_100161115042_100000210393 [0,1,1,0,0,0|2,0,0]=4 3198 B11R0.42 CCCOCCNC(=O)C(F)F 527a_100161115042_100000210393 [0,1,1,0,0,0|2,0,0]=4 3199 B11R0.42 CCCOCCNC(=O)C(O)O 240690a_100161115042_100000233687 [0,1,1,0,0,0|2,0,0]=4 3200 B11R0.42 CCCOCCNC(=O)N(C)C 2708a_100161115042_100102631434 [0,1,1,0,0,0|2,0,0]=4 3201 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,1,1,0,0,0|1,0,0]=3 3202 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,1,1,0,0,0|1,0,0]=3 3203 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,1,1,0,0,0|1,0,0]=3 3204 B11R0.42 CCCOCCOC(C)C(C)C 7a_100000748068_100011215938 [0,1,1,0,0,0|1,0,1]=4 3205 B11R0.42 CCCSCCNC(=O)C(C)C 11a_100020603323_100000210198 [0,1,1,0,0,0|1,1,0]=4 3206 B11R0.42 CCCSCCNC(=O)C(C)C 240690a_100020603323_100000210198 [0,1,1,0,0,0|1,1,0]=4 3207 B11R0.42 CCCSCCNC(=O)C(C)C 527a_100020603323_100000210198 [0,1,1,0,0,0|1,1,0]=4 3208 B11R0.42 CCCSCCNC(=O)C(C)F 11a_100020603323_100000062450 [0,1,1,0,0,0|1,1,0]=4 3209 B11R0.42 CCCSCCNC(=O)C(C)F 240690a_100020603323_100000062450 [0,1,1,0,0,0|1,1,0]=4 3210 B11R0.42 CCCSCCNC(=O)C(C)F 527a_100020603323_100000062450 [0,1,1,0,0,0|1,1,0]=4 3211 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,1,1,0,0,0|1,1,0]=4 3212 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,1,1,0,0,0|1,1,0]=4 3213 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,1,1,0,0,0|2,0,0]=4 3214 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,1,1,0,0,0|2,0,0]=4 3215 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,1,1,0,0,0|1,0,0]=3 3216 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,1,1,0,0,0|1,0,0]=3 3217 B11R0.42 C[C@@H](O)C(=O)NCCOCCO 240690a_100000211614_100000717761 [0,1,1,0,0,0|2,0,0]=4 3218 B11R0.42 C[C@@H](O)C(=O)NCCSCCO 240690a_100011219999_100000717761 [0,1,1,0,0,0|2,0,0]=4 3219 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,1,1,0,0,0|2,0,0]=4 3220 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,1,1,0,0,0|1,0,0]=3 3221 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,1,1,0,0,0|1,0,0]=3 3222 B11R0.42 C[C@H](O)C(=O)NCCOCCO 240690a_100000211614_217856618621 [0,1,1,0,0,0|2,0,0]=4 3223 B11R0.42 C[C@H](O)C(=O)NCCSCCO 240690a_100011219999_217856618621 [0,1,1,0,0,0|2,0,0]=4 3224 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,1,1,0,0,0|2,0,0]=4 3225 B11R0.42 O=C(NCCCCCO)C(F)F 240690a_100000762737_100000210393 [0,1,1,0,0,0|2,0,0]=4 3226 B11R0.42 O=C(NCCCCCO)C(O)O 240690a_100000762737_100000233687 [0,1,1,0,0,0|2,0,0]=4 3227 B11R0.49 CCC(C)(C)OCCCCCO 7a_100000210230_100000746330 [0,1,1,0,0,0|1,0,1]=4 3228 B11R0.49 CCCOCCNS(=O)(=O)CC 270084a_100161115042_100000211323 [0,1,1,0,0,0|2,0,0]=4 3229 B11R0.49 CCCOCCNS(=O)(=O)CC 274078a_100161115042_100000211323 [0,1,1,0,0,0|2,0,0]=4 3230 B11R0.49 CCCOCCNS(=O)(=O)CC 40a_100161115042_100000053943 [0,1,1,0,0,0|2,0,0]=4 3231 B11R0.49 CCCOCCOC(C)(C)CC 7a_100000210230_100011215938 [0,1,1,0,0,0|1,0,1]=4 3232 B11R0.49 CCCOCCOC(C)(C)CC 7a_100000752267_100000210677 [0,1,1,0,0,0|1,0,1]=4 3233 B11R0.49 CCS(=O)(=O)NCCCCCO 270084a_100000762737_100000211323 [0,1,1,0,0,0|2,0,0]=4 3234 B11R0.49 CCS(=O)(=O)NCCCCCO 274078a_100000762737_100000211323 [0,1,1,0,0,0|2,0,0]=4 3235 B11R0.49 CCS(=O)(=O)NCCCCCO 40a_100000762737_100000053943 [0,1,1,0,0,0|2,0,0]=4 3236 B11R0.70 CCC(=O)NCC(=O)CCCO 1458a_100000194589_100011215043 [0,1,1,0,0,0|1,0,1]=4 3237 B11R0.70 CCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210414 [0,1,1,0,0,0|1,0,0]=3 3238 B11R0.70 CCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210414 [0,1,1,0,0,0|1,0,0]=3 3239 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,1,1,0,0,0|2,0,0]=4 3240 B11R0.70 CCCOC(C)CNC(=O)CC 11a_100015185124_100000210414 [0,1,1,0,0,0|1,0,0]=3 3241 B11R0.70 CCCOC(C)CNC(=O)CC 1626a_100015185124_100000210414 [0,1,1,0,0,0|1,0,0]=3 3242 B11R0.70 CCCOC(C)CNC(=O)CC 240690a_100015185124_100000210414 [0,1,1,0,0,0|1,0,0]=3 3243 B11R0.70 CCCOC(C)CNC(=O)CC 527a_100015185124_100000210414 [0,1,1,0,0,0|1,0,0]=3 3244 B11R0.70 CCCOC(C)CNC(=O)CO 240690a_100015185124_100000210174 [0,1,1,0,0,0|2,0,0]=4 3245 B11R0.70 CCCOC(C)CNC(=O)CO 527a_100015185124_100000210174 [0,1,1,0,0,0|2,0,0]=4 3246 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100015185124_106832991635 [0,1,1,0,0,0|2,0,0]=4 3247 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100102657272_100015185124 [0,1,1,0,0,0|2,0,0]=4 3248 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100015185124_100102657272 [0,1,1,0,0,0|2,0,0]=4 3249 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100102657272_100015185124 [0,1,1,0,0,0|2,0,0]=4 3250 B11R0.70 CCCOC(C)CNC(=O)NC 512a_100015185124_100102657272 [0,1,1,0,0,0|2,0,0]=4 3251 B11R0.70 CCCOC(C)CNC(=O)NC 512a_106832991638_100015185124 [0,1,1,0,0,0|2,0,0]=4 3252 B11R0.70 CNC(=O)NC[C@H](C)CCCO 2708a_100102657272_100160569302 [0,1,1,0,0,0|2,0,0]=4 3253 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100102657272_100160569302 [0,1,1,0,0,0|2,0,0]=4 3254 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100102657272 [0,1,1,0,0,0|2,0,0]=4 3255 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_100160569302_100102657272 [0,1,1,0,0,0|2,0,0]=4 3256 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_106832991638_100160569302 [0,1,1,0,0,0|2,0,0]=4 3257 B11R0.70 C[C@H](CCCO)CNC(=O)CO 240690a_100160569302_100000210174 [0,1,1,0,0,0|2,0,0]=4 3258 B11R0.70 C[C@H](CCCO)CNC(=O)CO 527a_100160569302_100000210174 [0,1,1,0,0,0|2,0,0]=4 3259 B11R0.106 C=CC(=O)OCCOC(C)CC 7a_100000210228_100009813456 [0,1,1,0,0,0|0,0,2]=4 3260 B11R0.106 CCC(=O)NCCNC(C)CC 34a_100132302217_100011215416 [0,1,1,0,0,0|2,0,0]=4 3261 B11R0.106 CCC(=O)NCCNC(C)CO 34a_100132302217_100012180447 [0,1,1,0,0,0|2,0,0]=4 3262 B11R0.106 CCC(=O)NCCOC(C)CC 34a_200000158885_100011215416 [0,1,1,0,0,0|1,0,0]=3 3263 B11R0.106 CCC(=O)NCCOC(C)CC 7a_200000158885_100000758301 [0,1,1,0,0,0|1,0,0]=3 3264 B11R0.106 CCC(=O)NCCOC(C)CO 34a_200000158885_100012180447 [0,1,1,0,0,0|2,0,0]=4 3265 B11R0.106 CCC(=O)NCCOC(C)CO 7a_200000158885_100012180447 [0,1,1,0,0,0|2,0,0]=4 3266 B11R0.106 CCC(=O)OCCOC(C)C#N 7a_200000031056_100000703298 [0,1,1,0,0,0|1,0,1]=4 3267 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [0,1,1,0,0,0|0,0,0]=2 3268 B11R0.106 CCC(=O)OCCOC(C)CO 7a_200000031056_100012180447 [0,1,1,0,0,0|1,0,0]=3 3269 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [0,1,1,0,0,0|2,0,0]=4 3270 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,1,1,0,0,0|2,0,0]=4 3271 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [0,1,1,0,0,0|2,0,0]=4 3272 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,1,1,0,0,0|1,0,0]=3 3273 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,1,1,0,0,0|1,0,0]=3 3274 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,1,1,0,0,0|1,1,0]=4 3275 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,1,1,0,0,0|1,1,0]=4 3276 B11R0.106 CNC(=O)OCCOC(C)CF 34a_100016041109_200011997002 [0,1,1,0,0,0|2,0,0]=4 3277 B11R0.106 CNC(=O)OCCOC(C)CF 7a_100016041109_200011997002 [0,1,1,0,0,0|2,0,0]=4 3278 B11R0.106 CNC(=O)OCCOC(C)CN 34a_100000210904_200011997002 [0,1,1,0,0,0|2,0,0]=4 3279 B11R0.106 CNC(=O)OCCSC(C)CO 62a_100012180447_200011997002 [0,1,1,0,0,0|2,0,0]=4 3280 B11R0.106 CNC(=O)OCCS[C@H](C)CO 62a_100016084084_200011997002 [0,1,1,0,0,0|2,0,0]=4 3281 B11R0.106 CNC(=O)OCCS[C@H](C)CO 62a_200011997002_100016084084 [0,1,1,0,0,0|2,0,0]=4 3282 B11R0.106 COC(=O)OCCOC(C)CO 34a_100010262106_100012180447 [0,1,1,0,0,0|2,0,0]=4 3283 B11R0.106 COC(=O)OCSCC(O)CO 62a_100011219619_100000139417 [0,1,1,0,0,0|2,0,0]=4 3284 B11R0.106 COC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000139417 [0,1,1,0,0,0|2,0,0]=4 3285 B11R0.106 COC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000139417 [0,1,1,0,0,0|2,0,0]=4 3286 B11R0.111 C=C(C)COCCNC(=O)CC 34a_200000158885_100000748629 [0,1,1,0,0,0|1,0,1]=4 3287 B11R0.111 C=C(C)COCCNC(=O)CC 7a_200000158885_100000748629 [0,1,1,0,0,0|1,0,1]=4 3288 B11R0.111 C=C(C)COCCOC(=O)CC 7a_200000031056_100000748629 [0,1,1,0,0,0|0,0,1]=3 3289 B11R0.111 C=C(C)COCCOC(=O)NC 34a_100000210245_200011997002 [0,1,1,0,0,0|1,0,1]=4 3290 B11R0.111 C=C(C)COCCOC(=O)OC 34a_100010262106_100000748629 [0,1,1,0,0,0|1,0,1]=4 3291 B11R0.111 C=C(F)COCCOC(=O)CC 7a_200000031056_100000042424 [0,1,1,0,0,0|0,0,2]=4 3292 B11R0.111 C=CC(=O)OCCOCC(C)Br 34a_100012180447_100009813456 [0,1,1,0,0,0|0,0,2]=4 3293 B11R0.111 C=CC(=O)OCCOCC(C)C 34a_100000210257_100009813456 [0,1,1,0,0,0|0,0,2]=4 3294 B11R0.111 C=CC(=O)OCCOCC(C)F 34a_100015925927_100009813456 [0,1,1,0,0,0|0,0,2]=4 3295 B11R0.111 C=CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009813456 [0,1,1,0,0,0|0,0,2]=4 3296 B11R0.111 C=CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009813456 [0,1,1,0,0,0|0,0,2]=4 3297 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,1,1,0,0,0|2,0,0]=4 3298 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,1,1,0,0,0|2,0,0]=4 3299 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,1,1,0,0,0|2,0,0]=4 3300 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,1,1,0,0,0|2,0,0]=4 3301 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,1,1,0,0,0|2,0,0]=4 3302 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,1,1,0,0,0|2,0,0]=4 3303 B11R0.111 CCC(=O)NCCNCC(C)C 270004a_100132302217_100000210432 [0,1,1,0,0,0|2,0,0]=4 3304 B11R0.111 CCC(=O)NCCNCC(C)C 34a_100132302217_100000210624 [0,1,1,0,0,0|2,0,0]=4 3305 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [0,1,1,0,0,0|2,0,0]=4 3306 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [0,1,1,0,0,0|2,0,0]=4 3307 B11R0.111 CCC(=O)NCCOCC(C)C 34a_200000158885_100000210624 [0,1,1,0,0,0|1,0,0]=3 3308 B11R0.111 CCC(=O)NCCOCC(C)C 7a_200000158885_100000210760 [0,1,1,0,0,0|1,0,0]=3 3309 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [0,1,1,0,0,0|1,0,0]=3 3310 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [0,1,1,0,0,0|1,0,0]=3 3311 B11R0.111 CCC(=O)NCCOCC(F)F 34a_200000158885_100011934356 [0,1,1,0,0,0|2,0,0]=4 3312 B11R0.111 CCC(=O)NCCOCC(F)F 7a_200000158885_100011934356 [0,1,1,0,0,0|2,0,0]=4 3313 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [0,1,1,0,0,0|1,0,0]=3 3314 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [0,1,1,0,0,0|1,0,0]=3 3315 B11R0.111 CCC(=O)OCCOCC(=O)N 7a_200000031056_100000187820 [0,1,1,0,0,0|1,0,1]=4 3316 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [0,1,1,0,0,0|0,0,0]=2 3317 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,1,1,0,0,0|0,0,0]=2 3318 B11R0.111 CCC(=O)OCCOCC(F)F 7a_200000031056_100011934356 [0,1,1,0,0,0|1,0,0]=3 3319 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,1,1,0,0,0|0,0,0]=2 3320 B11R0.111 CCC(C)OCCOCC(C)C 34a_100000703358_100011215416 [0,1,1,0,0,0|1,0,1]=4 3321 B11R0.111 CCC(C)OCCOCC(C)C 7a_100000703358_100000758301 [0,1,1,0,0,0|1,0,1]=4 3322 B11R0.111 CNC(=O)CCCOCC(C)Br 34a_100012180447_100000741757 [0,1,1,0,0,0|2,0,0]=4 3323 B11R0.111 CNC(=O)CCCOCC(C)C 34a_100000210257_100000741757 [0,1,1,0,0,0|2,0,0]=4 3324 B11R0.111 CNC(=O)CCCOCC(C)F 34a_100015925927_100000741757 [0,1,1,0,0,0|2,0,0]=4 3325 B11R0.111 CNC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000741757 [0,1,1,0,0,0|2,0,0]=4 3326 B11R0.111 CNC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000741757 [0,1,1,0,0,0|2,0,0]=4 3327 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,1,1,0,0,0|2,0,0]=4 3328 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,1,1,0,0,0|2,0,0]=4 3329 B11R0.111 CNC(=O)OCCOCC(=O)C 34a_100000211253_200011997002 [0,1,1,0,0,0|1,0,1]=4 3330 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,1,1,0,0,0|1,0,0]=3 3331 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,1,1,0,0,0|1,0,0]=3 3332 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,1,1,0,0,0|1,0,0]=3 3333 B11R0.111 CNC(=O)OCCOCC(F)F 34a_100000743014_200011997002 [0,1,1,0,0,0|2,0,0]=4 3334 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,1,1,0,0,0|1,0,0]=3 3335 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,1,1,0,0,0|1,0,0]=3 3336 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,1,1,0,0,0|1,1,0]=4 3337 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,1,1,0,0,0|1,1,0]=4 3338 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,1,1,0,0,0|1,1,0]=4 3339 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,1,1,0,0,0|1,1,0]=4 3340 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,1,1,0,0,0|1,1,0]=4 3341 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,1,1,0,0,0|1,1,0]=4 3342 B11R0.111 COC(=O)CCCOCC(C)Br 34a_100012180447_100000742333 [0,1,1,0,0,0|2,0,0]=4 3343 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [0,1,1,0,0,0|2,0,0]=4 3344 B11R0.111 COC(=O)CCCOCC(C)F 34a_100015925927_100000742333 [0,1,1,0,0,0|2,0,0]=4 3345 B11R0.111 COC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000742333 [0,1,1,0,0,0|2,0,0]=4 3346 B11R0.111 COC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000742333 [0,1,1,0,0,0|2,0,0]=4 3347 B11R0.111 COC(=O)NCCOCC(C)C 34a_100000757965_100000210624 [0,1,1,0,0,0|2,0,0]=4 3348 B11R0.111 COC(=O)NCCOCC(C)O 34a_100000757965_100011218427 [0,1,1,0,0,0|2,0,0]=4 3349 B11R0.111 COC(=O)NCCOC[C@@H](C)O 34a_100000757965_100009817552 [0,1,1,0,0,0|2,0,0]=4 3350 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,1,1,0,0,0|1,0,0]=3 3351 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,1,1,0,0,0|1,0,0]=3 3352 B11R0.111 COC(=O)OCCOCC(F)F 34a_100010262106_100011934356 [0,1,1,0,0,0|2,0,0]=4 3353 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,1,1,0,0,0|1,0,0]=3 3354 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,1,1,0,0,0|2,0,0]=4 3355 B11R0.124 C#CC(CC)OCCCCCO 34a_100000758843_100000746330 [0,1,1,0,0,0|1,0,1]=4 3356 B11R0.124 C#CC(CC)OCCCCCO 7a_100000758843_100000746330 [0,1,1,0,0,0|1,0,1]=4 3357 B11R0.124 C#CC(CC)OCCOCCC 34a_100000758843_100011215938 [0,1,1,0,0,0|1,0,1]=4 3358 B11R0.124 C#CC(CC)OCCOCCC 7a_100000758843_100011215938 [0,1,1,0,0,0|1,0,1]=4 3359 B11R0.124 C=CC(CC)OCCCCCO 34a_100000766422_100000746330 [0,1,1,0,0,0|1,0,1]=4 3360 B11R0.124 C=CC(CC)OCCCCCO 7a_100000766422_100000746330 [0,1,1,0,0,0|1,0,1]=4 3361 B11R0.124 C=CC(CC)OCCOCCC 34a_100000766422_100011215938 [0,1,1,0,0,0|1,0,1]=4 3362 B11R0.124 C=CC(CC)OCCOCCC 7a_100000766422_100011215938 [0,1,1,0,0,0|1,0,1]=4 3363 B11R0.124 CCC(CC)OCCCCCO 7a_100000688536_100000746330 [0,1,1,0,0,0|1,0,1]=4 3364 B11R0.124 CCCOCCOC(CC)CC 7a_100000688536_100011215938 [0,1,1,0,0,0|1,0,1]=4 3365 B11R0.124 CCCOCCOC(CC)CC 7a_100000752267_100000210505 [0,1,1,0,0,0|1,0,1]=4 3366 B11R0.142 CCC(=O)C(C)NCCCCO 2230a_100000750430_100000742827 [0,1,1,0,0,0|2,0,0]=4 3367 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000210776_100000742827 [0,1,1,0,0,0|2,0,0]=4 3368 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000742827_100000210776 [0,1,1,0,0,0|2,0,0]=4 3369 B11R0.142 CCC(=O)N(C)CCCCCO 240690a_100000722520_100000210414 [0,1,1,0,0,0|1,0,0]=3 3370 B11R0.142 CCC(=O)N(C)CCOCCO 240690a_100000228057_100000210414 [0,1,1,0,0,0|2,0,0]=4 3371 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,1,0,0,0|2,0,0]=4 3372 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,1,0,0,0|2,0,0]=4 3373 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,1,1,0,0,0|2,0,0]=4 3374 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,1,1,0,0,0|2,0,0]=4 3375 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,1,1,0,0,0|2,0,0]=4 3376 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,1,1,0,0,0|2,0,0]=4 3377 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [0,1,1,0,0,0|2,0,0]=4 3378 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,1,1,0,0,0|2,0,0]=4 3379 B11R0.142 CN(CCCCCO)C(=O)CO 240690a_100000722520_100000210174 [0,1,1,0,0,0|2,0,0]=4 3380 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,1,1,0,0,0|2,0,0]=4 3381 B11R0.142 CNC(=O)N(C)CCCCCO 2708a_100102657272_100000722520 [0,1,1,0,0,0|2,0,0]=4 3382 B11R0.142 CNC(=O)N(C)CCCCCO 273464a_100102657272_100000722520 [0,1,1,0,0,0|2,0,0]=4 3383 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,1,1,0,0,0|1,0,1]=4 3384 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [0,1,1,0,0,0|2,0,0]=4 3385 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,1,0,0,0|2,0,0]=4 3386 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,1,0,0,0|2,0,0]=4 3387 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,1,0,0,0|2,0,0]=4 3388 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,1,0,0,0|2,0,0]=4 3389 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [0,1,1,0,0,0|1,0,1]=4 3390 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,1,1,0,0,0|2,0,0]=4 3391 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,1,1,0,0,0|2,0,0]=4 3392 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,1,1,0,0,0|2,0,0]=4 3393 B11R0.174 CNC(=O)OCCC(=O)CCO 1458a_100011216618_200011997002 [0,1,1,0,0,0|1,0,1]=4 3394 B11R0.174 CNC(=O)OCCN(C)CCO 269982a_100000210263_200011997002 [0,1,1,0,0,0|2,0,0]=4 3395 B11R0.174 COC(=O)OCSC(C)CCO 62a_100009893172_100000139417 [0,1,1,0,0,0|2,0,0]=4 3396 B11R0.43 CCC[C@H](O)C(=O)CC(=O)CC 1458a_100009822183_100000747405 [0,1,1,0,0,0|1,0,1]=4 3397 B11R0.43 CCOC(C)C(=O)CC(=O)CC 1458a_100000739345_100000747405 [0,1,1,0,0,0|1,0,1]=4 3398 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,1,1,0,0,0|0,0,2]=4 3399 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,1,1,0,0,0|2,0,0]=4 3400 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,1,1,0,0,0|2,0,0]=4 3401 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,1,1,0,0,0|2,0,0]=4 3402 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,1,1,0,0,0|2,0,0]=4 3403 B11R0.62 CCNC(=O)NCC(O)COC 2708a_100015525214_100000756049 [0,1,1,0,0,0|2,0,0]=4 3404 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100000756049_100015525214 [0,1,1,0,0,0|2,0,0]=4 3405 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100015525214_100000756049 [0,1,1,0,0,0|2,0,0]=4 3406 B11R0.62 CCNC(=O)NCC(O)COC 512a_100000756049_100015525214 [0,1,1,0,0,0|2,0,0]=4 3407 B11R0.62 CCNC(=O)NCC(O)COC 512a_100015525214_100000756049 [0,1,1,0,0,0|2,0,0]=4 3408 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,1,1,0,0,0|2,0,0]=4 3409 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,1,1,0,0,0|1,0,0]=3 3410 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,1,1,0,0,0|1,1,0]=4 3411 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,1,1,0,0,0|1,1,0]=4 3412 B11R0.62 CCOC(C)COC(C)COC 34a_200011930013_100000210202 [0,1,1,0,0,0|1,0,1]=4 3413 B11R0.62 CCOC(C)COC(C)COC 7a_200011930013_100000210202 [0,1,1,0,0,0|1,0,1]=4 3414 B11R0.62 COCC(=O)NCC(O)COC 240690a_100000756049_100000210968 [0,1,1,0,0,0|2,0,0]=4 3415 B11R0.62 COCC(=O)NCC(O)COC 527a_100000756049_100000210968 [0,1,1,0,0,0|2,0,0]=4 3416 B11R0.62 COCC(O)CNC(=O)CCO 240690a_100000756049_100011216618 [0,1,1,0,0,0|2,0,0]=4 3417 B11R0.62 COCC(O)CNC(=O)CSC 240690a_100000756049_100000184570 [0,1,1,0,0,0|2,0,0]=4 3418 B11R0.62 COCC(O)CNC(=O)CSC 527a_100000756049_100000184570 [0,1,1,0,0,0|2,0,0]=4 3419 B11R0.107 CCC(=O)NCC(O)CN(C)C 240690a_100000737402_100000210414 [0,1,1,0,0,0|2,0,0]=4 3420 B11R0.107 CCC(=O)NCC(O)CN(C)C 527a_100000737402_100000210414 [0,1,1,0,0,0|2,0,0]=4 3421 B11R0.141 C=C(C)C(=O)NCC(C)OCC 34a_100000065599_100000210202 [0,1,1,0,0,0|1,0,1]=4 3422 B11R0.141 C=C(C)C(=O)OCC(C)OCC 7a_100000061822_100000210202 [0,1,1,0,0,0|0,0,1]=3 3423 B11R0.141 C=C(C)C(=O)OCC(C)OCF 7a_100000061822_100015361967 [0,1,1,0,0,0|1,0,1]=4 3424 B11R0.141 C=C(C)C(=O)OCC(O)CNC 34a_100102657272_100000037624 [0,1,1,0,0,0|1,0,1]=4 3425 B11R0.141 C=C(C)C(=O)OCC(O)CNC 7a_106832991635_100000037624 [0,1,1,0,0,0|1,0,1]=4 3426 B11R0.141 C=C(C)C(=O)OCC(O)COC 34a_100138415774_100000037624 [0,1,1,0,0,0|1,0,1]=4 3427 B11R0.141 C=C(C)C(=O)OCC(O)CSC 62a_100000037624_200000210301 [0,1,1,0,0,0|1,0,1]=4 3428 B11R0.141 C=C(C)C(=O)OCC(O)CSC 62a_200000210301_100000037624 [0,1,1,0,0,0|1,0,1]=4 3429 B11R0.141 C=C(C)C(=O)OCC(O)CS[13CH3] 62a_100000037624_200025704644 [0,1,1,0,0,0|1,0,1]=4 3430 B11R0.141 C=C(C)C(=O)OCC(O)CS[13CH3] 62a_200025704644_100000037624 [0,1,1,0,0,0|1,0,1]=4 3431 B11R0.141 CCCC(=O)COC(=O)C(C)C 1458a_100000211992_100000139345 [0,1,1,0,0,0|0,0,2]=4 3432 B11R0.141 COCC(O)CNC(=O)C(C)C 240690a_100000756049_100000210198 [0,1,1,0,0,0|2,0,0]=4 3433 B11R0.141 COCC(O)CNC(=O)C(C)C 527a_100000756049_100000210198 [0,1,1,0,0,0|2,0,0]=4 3434 B11R0.141 COCC(O)CNC(=O)C(C)F 240690a_100000756049_100000062450 [0,1,1,0,0,0|2,0,0]=4 3435 B11R0.141 COCC(O)CNC(=O)C(C)F 527a_100000756049_100000062450 [0,1,1,0,0,0|2,0,0]=4 3436 B11R0.141 COCC(O)CNC(=O)[C@@H](C)O 240690a_100000756049_100000717761 [0,1,1,0,0,0|2,0,0]=4 3437 B11R0.141 COCC(O)CNC(=O)[C@H](C)O 240690a_100000756049_217856618621 [0,1,1,0,0,0|2,0,0]=4 3438 B11R0.187 CCC(=O)N(C)CC(O)COC 240690a_100000739405_100000210414 [0,1,1,0,0,0|2,0,0]=4 3439 B11R0.187 CCC(=O)N(C)CC(O)COC 527a_100000739405_100000210414 [0,1,1,0,0,0|2,0,0]=4 3440 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [1,1,0,0,0,0|1,0,1]=4 3441 B11R1.4 BrCCCOCC1OCCO1 34a_100011217188_100000755774 [1,1,0,0,0,0|1,0,1]=4 3442 B11R1.4 C#CCCOCC1CCCO1 34a_100000210270_100000688953 [1,1,0,0,0,0|0,0,2]=4 3443 B11R1.4 C#CCCOCC1CCCO1 7a_100000210270_100000688953 [1,1,0,0,0,0|0,0,2]=4 3444 B11R1.4 C/C=C/CNC[C@@H]1CCCO1 34a_100020590478_100102629194 [1,1,0,0,0,0|1,0,1]=4 3445 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [1,1,0,0,0,0|1,0,1]=4 3446 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [1,1,0,0,0,0|1,0,1]=4 3447 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [1,1,0,0,0,0|1,0,1]=4 3448 B11R1.4 C/C=C/COCC1CCCO1 34a_100000210270_100102629194 [1,1,0,0,0,0|0,0,1]=3 3449 B11R1.4 C/C=C/COCC1CCCO1 7a_100000210270_100102629194 [1,1,0,0,0,0|0,0,1]=3 3450 B11R1.4 C/C=C/COCC1COCO1 34a_100011216627_100102629194 [1,1,0,0,0,0|1,0,1]=4 3451 B11R1.4 C/C=C/COCC1OCCO1 34a_100000087154_100102629194 [1,1,0,0,0,0|1,0,1]=4 3452 B11R1.4 C/C=C/COCC1OCCO1 34a_100016270725_100000755774 [1,1,0,0,0,0|1,0,1]=4 3453 B11R1.4 C/C=C/COC[C@H]1CCCN1 34a_100000745186_100102629194 [1,1,0,0,0,0|1,0,1]=4 3454 B11R1.4 C/C=C/CSCC1CCCO1 62a_100000203698_100102629194 [1,1,0,0,0,0|0,1,1]=4 3455 B11R1.4 C/C=C/CSCC1CCCO1 62a_100102629194_100000203698 [1,1,0,0,0,0|0,1,1]=4 3456 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [1,1,0,0,0,0|0,0,2]=4 3457 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [1,1,0,0,0,0|0,0,2]=4 3458 B11R1.4 CC#CCOCC1CCCO1 34a_100000210270_100000748600 [1,1,0,0,0,0|0,0,2]=4 3459 B11R1.4 CC#CCOCC1CCCO1 7a_100000210270_100000748600 [1,1,0,0,0,0|0,0,2]=4 3460 B11R1.4 CC/C=C\CNC1CCCC1 2230a_100000211070_100103147603 [1,1,0,0,0,0|2,0,0]=4 3461 B11R1.4 CC/C=C\CNC1CCCC1 34a_100000211070_100103147603 [1,1,0,0,0,0|2,0,0]=4 3462 B11R1.4 CC/C=C\COC1CCCC1 34a_100000210269_100103147603 [1,1,0,0,0,0|2,0,0]=4 3463 B11R1.4 CC/C=C\COC1CCCC1 34a_100016268518_100000179811 [1,1,0,0,0,0|2,0,0]=4 3464 B11R1.4 CC/C=C\COC1CCCC1 7a_100000210269_100103147603 [1,1,0,0,0,0|2,0,0]=4 3465 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [1,1,0,0,0,0|1,0,0]=3 3466 B11R1.4 CC/C=C\CSC1CCCC1 62a_100011217020_100103147603 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.4 CC/C=C\CSC1CCCC1 62a_100103147603_100000179811 [1,1,0,0,0,0|2,0,0]=4 3468 B11R1.4 CC=CCNC[C@@H]1CCCO1 2230a_100020590478_100000070051 [1,1,0,0,0,0|1,0,1]=4 3469 B11R1.4 CC=CCNC[C@@H]1CCCO1 34a_100020590478_100000070051 [1,1,0,0,0,0|1,0,1]=4 3470 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [1,1,0,0,0,0|1,0,1]=4 3471 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [1,1,0,0,0,0|1,0,1]=4 3472 B11R1.4 CC=CCOCC1CCCO1 34a_100000210270_100000070051 [1,1,0,0,0,0|0,0,1]=3 3473 B11R1.4 CC=CCOCC1CCCO1 7a_100000210270_100000070051 [1,1,0,0,0,0|0,0,1]=3 3474 B11R1.4 CC=CCOCC1COCO1 34a_100011216627_100000070051 [1,1,0,0,0,0|1,0,1]=4 3475 B11R1.4 CC=CCOCC1OCCO1 34a_100000087154_100000070051 [1,1,0,0,0,0|1,0,1]=4 3476 B11R1.4 CC=CCOC[C@H]1CCCN1 34a_100000745186_100000070051 [1,1,0,0,0,0|1,0,1]=4 3477 B11R1.4 CC=CCSCC1CCCO1 62a_100000070051_100000203698 [1,1,0,0,0,0|0,1,1]=4 3478 B11R1.4 CC=CCSCC1CCCO1 62a_100000203698_100000070051 [1,1,0,0,0,0|0,1,1]=4 3479 B11R1.4 CCC#CCOC1CCCO1 34a_100000085407_100009813939 [1,1,0,0,0,0|1,0,1]=4 3480 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [1,1,0,0,0,0|1,0,1]=4 3481 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [1,1,0,0,0,0|1,0,1]=4 3482 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [1,1,0,0,0,0|1,0,1]=4 3483 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [1,1,0,0,0,0|1,0,1]=4 3484 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [1,1,0,0,0,0|1,0,1]=4 3485 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [1,1,0,0,0,0|1,0,1]=4 3486 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [1,1,0,0,0,0|1,0,1]=4 3487 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [1,1,0,0,0,0|1,0,1]=4 3488 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [1,1,0,0,0,0|1,0,1]=4 3489 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [1,1,0,0,0,0|0,0,1]=3 3490 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [1,1,0,0,0,0|0,0,1]=3 3491 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [1,1,0,0,0,0|0,0,1]=3 3492 B11R1.4 CCCCOCC1COCO1 34a_100011216627_100000210210 [1,1,0,0,0,0|1,0,1]=4 3493 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [1,1,0,0,0,0|1,0,1]=4 3494 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [1,1,0,0,0,0|1,0,1]=4 3495 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [1,1,0,0,0,0|1,0,1]=4 3496 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [1,1,0,0,0,0|1,0,1]=4 3497 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [1,1,0,0,0,0|0,1,1]=4 3498 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [1,1,0,0,0,0|0,1,1]=4 3499 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [1,1,0,0,0,0|1,0,1]=4 3500 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [1,1,0,0,0,0|1,0,1]=4 3501 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [1,1,0,0,0,0|1,0,1]=4 3502 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [1,1,0,0,0,0|1,0,1]=4 3503 B11R1.4 CCOCCOC1CCCO1 34a_100000085407_100000210147 [1,1,0,0,0,0|2,0,0]=4 3504 B11R1.4 CCOCSCC1CCCO1 62a_100000203698_100000739092 [1,1,0,0,0,0|0,1,1]=4 3505 B11R1.4 CCOCSCC1CCCO1 62a_100000739092_100000203698 [1,1,0,0,0,0|0,1,1]=4 3506 B11R1.4 CCSCCOC1CCCO1 34a_100000085407_100000757381 [1,1,0,0,0,0|2,0,0]=4 3507 B11R1.4 COCCNCC1CCCO1 2230a_100000209980_100000203698 [1,1,0,0,0,0|1,0,1]=4 3508 B11R1.4 COCCNC[C@@H]1CCCO1 2230a_100020590478_100011201679 [1,1,0,0,0,0|1,0,1]=4 3509 B11R1.4 COCCNC[C@@H]1CCCO1 34a_100020590478_100011201679 [1,1,0,0,0,0|1,0,1]=4 3510 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [1,1,0,0,0,0|1,0,1]=4 3511 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [1,1,0,0,0,0|1,0,1]=4 3512 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [1,1,0,0,0,0|1,0,1]=4 3513 B11R1.4 COCCOCC1CCCO1 34a_100000210270_100011201679 [1,1,0,0,0,0|0,0,1]=3 3514 B11R1.4 COCCOCC1CCCO1 7a_100000210270_100000233755 [1,1,0,0,0,0|0,0,1]=3 3515 B11R1.4 COCCOCC1COCO1 34a_100011216627_100011201679 [1,1,0,0,0,0|1,0,1]=4 3516 B11R1.4 COCCOCC1OCCO1 34a_100000087154_100011201679 [1,1,0,0,0,0|1,0,1]=4 3517 B11R1.4 COCCOCC1OCCO1 34a_100000210237_100000755774 [1,1,0,0,0,0|1,0,1]=4 3518 B11R1.4 COCCOC[C@H]1CCCN1 34a_100000745186_100011201679 [1,1,0,0,0,0|1,0,1]=4 3519 B11R1.4 COCCSCC1CCCO1 62a_100000203698_100000233755 [1,1,0,0,0,0|0,1,1]=4 3520 B11R1.4 COCCSCC1CCCO1 62a_100000233755_100000203698 [1,1,0,0,0,0|0,1,1]=4 3521 B11R1.4 CSCCNCC1CCCO1 2230a_100020590264_100000203698 [1,1,0,0,0,0|1,0,1]=4 3522 B11R1.4 CSCCNC[C@@H]1CCCO1 2230a_100020590478_100000751147 [1,1,0,0,0,0|1,0,1]=4 3523 B11R1.4 CSCCNC[C@@H]1CCCO1 34a_100020590478_100000212216 [1,1,0,0,0,0|1,0,1]=4 3524 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [1,1,0,0,0,0|1,0,1]=4 3525 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [1,1,0,0,0,0|1,0,1]=4 3526 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [1,1,0,0,0,0|1,0,1]=4 3527 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [1,1,0,0,0,0|1,0,1]=4 3528 B11R1.4 CSCCOCC1CCCO1 34a_100000210270_100000212216 [1,1,0,0,0,0|0,0,1]=3 3529 B11R1.4 CSCCOCC1CCCO1 7a_100000210270_100000212216 [1,1,0,0,0,0|0,0,1]=3 3530 B11R1.4 CSCCOCC1CCCO1 7a_100000230434_100000203698 [1,1,0,0,0,0|0,0,1]=3 3531 B11R1.4 CSCCOCC1COCO1 34a_100011216627_100000212216 [1,1,0,0,0,0|1,0,1]=4 3532 B11R1.4 CSCCOCC1OCCO1 34a_100000087154_100000212216 [1,1,0,0,0,0|1,0,1]=4 3533 B11R1.4 CSCCOCC1OCCO1 34a_100000230434_100000755774 [1,1,0,0,0,0|1,0,1]=4 3534 B11R1.4 CSCCOCC1OCCO1 7a_100000230434_100000755774 [1,1,0,0,0,0|1,0,1]=4 3535 B11R1.4 CSCCOC[C@H]1CCCN1 34a_100000745186_100000212216 [1,1,0,0,0,0|1,0,1]=4 3536 B11R1.4 CSCCSCC1CCCO1 62a_100000203698_100000751147 [1,1,0,0,0,0|0,1,1]=4 3537 B11R1.4 CSCCSCC1CCCO1 62a_100000212216_100000203698 [1,1,0,0,0,0|0,1,1]=4 3538 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [1,1,0,0,0,0|1,0,1]=4 3539 B11R1.4 ClCCCOCC1OCCO1 34a_100000230001_100000755774 [1,1,0,0,0,0|1,0,1]=4 3540 B11R1.4 FCCCNCC1CCCO1 2230a_100015189416_100000203698 [1,1,0,0,0,0|1,0,1]=4 3541 B11R1.4 FCCCNC[C@@H]1CCCO1 2230a_100020590478_100011934791 [1,1,0,0,0,0|1,0,1]=4 3542 B11R1.4 FCCCNC[C@@H]1CCCO1 34a_100020590478_100011934791 [1,1,0,0,0,0|1,0,1]=4 3543 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [1,1,0,0,0,0|1,0,1]=4 3544 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [1,1,0,0,0,0|1,0,1]=4 3545 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [1,1,0,0,0,0|1,0,1]=4 3546 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [1,1,0,0,0,0|0,0,1]=3 3547 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [1,1,0,0,0,0|0,0,1]=3 3548 B11R1.4 FCCCOCC1COCO1 34a_100011216627_100011934791 [1,1,0,0,0,0|1,0,1]=4 3549 B11R1.4 FCCCOCC1OCCO1 34a_100000087154_100011934791 [1,1,0,0,0,0|1,0,1]=4 3550 B11R1.4 FCCCOCC1OCCO1 34a_100000759539_100000755774 [1,1,0,0,0,0|1,0,1]=4 3551 B11R1.4 FCCCOC[C@H]1CCCN1 34a_100000745186_100011934791 [1,1,0,0,0,0|1,0,1]=4 3552 B11R1.4 FCCCSCC1CCCO1 62a_100000203698_100011934791 [1,1,0,0,0,0|0,1,1]=4 3553 B11R1.4 FCCCSCC1CCCO1 62a_100011934791_100000203698 [1,1,0,0,0,0|0,1,1]=4 3554 B11R1.4 N#CCCOCC1CCCO1 7a_100000210270_100000184422 [1,1,0,0,0,0|0,0,2]=4 3555 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [1,1,0,0,0,0|1,0,1]=4 3556 B11R1.4 NCCCOCC1OCCO1 34a_100000182051_100000755774 [1,1,0,0,0,0|1,0,1]=4 3557 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [1,1,0,0,0,0|1,0,1]=4 3558 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [1,1,0,0,0,0|1,0,1]=4 3559 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [1,1,0,0,0,0|1,0,1]=4 3560 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [1,1,0,0,0,0|1,0,1]=4 3561 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [1,1,0,0,0,0|0,0,1]=3 3562 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [1,1,0,0,0,0|0,0,1]=3 3563 B11R1.4 OCCCOCC1COCO1 34a_100011216627_100000230001 [1,1,0,0,0,0|1,0,1]=4 3564 B11R1.4 OCCCOCC1OCCO1 34a_100000087154_100000230001 [1,1,0,0,0,0|1,0,1]=4 3565 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [1,1,0,0,0,0|1,0,1]=4 3566 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [1,1,0,0,0,0|0,1,1]=4 3567 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [1,1,0,0,0,0|0,1,1]=4 3568 B11R1.27 CCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210303 [1,1,0,0,0,0|1,0,1]=4 3569 B11R1.29 CCCNC(C)C1CCCO1 2230a_100025754208_100000210303 [1,1,0,0,0,0|1,0,1]=4 3570 B11R1.29 CCCNC(C)C1CCCO1 34a_100025754208_100000210303 [1,1,0,0,0,0|1,0,1]=4 3571 B11R1.29 CCCOC(C)C1CCCC1 34a_100011216366_100000210303 [1,1,0,0,0,0|1,0,1]=4 3572 B11R1.29 CCCOC(C)C1CCCC1 7a_100011216366_100000210303 [1,1,0,0,0,0|1,0,1]=4 3573 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [1,1,0,0,0,0|1,0,1]=4 3574 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [1,1,0,0,0,0|1,0,1]=4 3575 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000226859_200000210301 [1,1,0,0,0,0|1,0,1]=4 3576 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000747261_100000203698 [1,1,0,0,0,0|1,0,1]=4 3577 B11R1.30 CCCN(C)CC1CCCO1 2230a_100102946541_100000210303 [1,1,0,0,0,0|1,0,1]=4 3578 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000226859_200000210301 [1,1,0,0,0,0|1,0,1]=4 3579 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000747261_100000183445 [1,1,0,0,0,0|1,0,1]=4 3580 B11R1.30 CCCN(C)CC1CCCO1 269982a_100102946541_100000210303 [1,1,0,0,0,0|1,0,1]=4 3581 B11R1.30 CCCN(C)CC1CCCO1 34a_100000226859_200000210301 [1,1,0,0,0,0|1,0,1]=4 3582 B11R1.30 CCCN(C)CC1CCCO1 34a_100102946541_100000210303 [1,1,0,0,0,0|1,0,1]=4 3583 B11R1.30 CCCN([13CH3])CC1CCCO1 2230a_100000226859_200025704644 [1,1,0,0,0,0|1,0,1]=4 3584 B11R1.30 CCCN([13CH3])CC1CCCO1 269982a_100000226859_200025704644 [1,1,0,0,0,0|1,0,1]=4 3585 B11R1.30 CCCN([13CH3])CC1CCCO1 34a_100000226859_200025704644 [1,1,0,0,0,0|1,0,1]=4 3586 B11R1.172 C=C(C)COCC1CCCO1 34a_100000210270_100000748629 [1,1,0,0,0,0|0,0,2]=4 3587 B11R1.172 C=C(C)COCC1CCCO1 7a_100000210270_100000748629 [1,1,0,0,0,0|0,0,2]=4 3588 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [1,1,0,0,0,0|0,0,2]=4 3589 B11R1.172 CC(Br)COCC1CCCC1 34a_100012180447_100000740388 [1,1,0,0,0,0|1,0,1]=4 3590 B11R1.172 CC(Br)COCC1OCCO1 34a_100012180447_100000755774 [1,1,0,0,0,0|1,0,1]=4 3591 B11R1.172 CC(C)CNCC1CCCO1 2230a_100000210953_100000203698 [1,1,0,0,0,0|1,0,1]=4 3592 B11R1.172 CC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000210760 [1,1,0,0,0,0|1,0,1]=4 3593 B11R1.172 CC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000210432 [1,1,0,0,0,0|1,0,1]=4 3594 B11R1.172 CC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000210624 [1,1,0,0,0,0|1,0,1]=4 3595 B11R1.172 CC(C)COCC1CCCC1 34a_100000210257_100000740388 [1,1,0,0,0,0|1,0,1]=4 3596 B11R1.172 CC(C)COCC1CCCC1 34a_100000742336_100000210624 [1,1,0,0,0,0|1,0,1]=4 3597 B11R1.172 CC(C)COCC1CCCC1 7a_100000742336_100000210760 [1,1,0,0,0,0|1,0,1]=4 3598 B11R1.172 CC(C)COCC1CCCO1 34a_100000210270_100000210624 [1,1,0,0,0,0|0,0,1]=3 3599 B11R1.172 CC(C)COCC1CCCO1 7a_100000210270_100000210760 [1,1,0,0,0,0|0,0,1]=3 3600 B11R1.172 CC(C)COCC1COCO1 34a_100011216627_100000210624 [1,1,0,0,0,0|1,0,1]=4 3601 B11R1.172 CC(C)COCC1OCCO1 34a_100000087154_100000210624 [1,1,0,0,0,0|1,0,1]=4 3602 B11R1.172 CC(C)COCC1OCCO1 34a_100000210257_100000755774 [1,1,0,0,0,0|1,0,1]=4 3603 B11R1.172 CC(C)COC[C@H]1CCCN1 34a_100000745186_100000210624 [1,1,0,0,0,0|1,0,1]=4 3604 B11R1.172 CC(C)CSCC1CCCO1 62a_100000203698_100000210760 [1,1,0,0,0,0|0,1,1]=4 3605 B11R1.172 CC(C)CSCC1CCCO1 62a_100000210624_100000203698 [1,1,0,0,0,0|0,1,1]=4 3606 B11R1.172 CC(F)COCC1CCCC1 34a_100015925927_100000740388 [1,1,0,0,0,0|1,0,1]=4 3607 B11R1.172 CC(F)COCC1OCCO1 34a_100015925927_100000755774 [1,1,0,0,0,0|1,0,1]=4 3608 B11R1.172 CC(O)CNCC1CCCO1 2230a_100000210904_100000203698 [1,1,0,0,0,0|1,0,1]=4 3609 B11R1.172 CC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218427 [1,1,0,0,0,0|1,0,1]=4 3610 B11R1.172 CC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218427 [1,1,0,0,0,0|1,0,1]=4 3611 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [1,1,0,0,0,0|1,0,1]=4 3612 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [1,1,0,0,0,0|1,0,1]=4 3613 B11R1.172 CC(O)COCC1CCCO1 34a_100000210270_100011218427 [1,1,0,0,0,0|0,0,1]=3 3614 B11R1.172 CC(O)COCC1CCCO1 7a_100000210270_100011218427 [1,1,0,0,0,0|0,0,1]=3 3615 B11R1.172 CC(O)COCC1COCO1 34a_100011216627_100011218427 [1,1,0,0,0,0|1,0,1]=4 3616 B11R1.172 CC(O)COCC1OCCO1 34a_100000087154_100011218427 [1,1,0,0,0,0|1,0,1]=4 3617 B11R1.172 CC(O)COC[C@H]1CCCN1 34a_100000745186_100011218427 [1,1,0,0,0,0|1,0,1]=4 3618 B11R1.172 CC(O)CSCC1CCCO1 62a_100000203698_100011218427 [1,1,0,0,0,0|0,1,1]=4 3619 B11R1.172 CC(O)CSCC1CCCO1 62a_100011218427_100000203698 [1,1,0,0,0,0|0,1,1]=4 3620 B11R1.172 C[C@@H](Cl)COCC1CCCC1 34a_100016084084_100000740388 [1,1,0,0,0,0|1,0,1]=4 3621 B11R1.172 C[C@@H](Cl)COCC1OCCO1 34a_100016084084_100000755774 [1,1,0,0,0,0|1,0,1]=4 3622 B11R1.172 C[C@@H](N)COCC1CCCC1 34a_100000737577_100000740388 [1,1,0,0,0,0|1,0,1]=4 3623 B11R1.172 C[C@@H](N)COCC1OCCO1 34a_100000737577_100000755774 [1,1,0,0,0,0|1,0,1]=4 3624 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 2230a_100020590478_100009817552 [1,1,0,0,0,0|1,0,1]=4 3625 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 34a_100020590478_100009817552 [1,1,0,0,0,0|1,0,1]=4 3626 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [1,1,0,0,0,0|1,0,1]=4 3627 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [1,1,0,0,0,0|1,0,1]=4 3628 B11R1.172 C[C@@H](O)COCC1CCCO1 34a_100000210270_100009817552 [1,1,0,0,0,0|0,0,1]=3 3629 B11R1.172 C[C@@H](O)COCC1CCCO1 7a_100000210270_100009817552 [1,1,0,0,0,0|0,0,1]=3 3630 B11R1.172 C[C@@H](O)COCC1COCO1 34a_100011216627_100009817552 [1,1,0,0,0,0|1,0,1]=4 3631 B11R1.172 C[C@@H](O)COCC1OCCO1 34a_100000087154_100009817552 [1,1,0,0,0,0|1,0,1]=4 3632 B11R1.172 C[C@@H](O)COC[C@H]1CCCN1 34a_100000745186_100009817552 [1,1,0,0,0,0|1,0,1]=4 3633 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100000203698_100009817552 [1,1,0,0,0,0|0,1,1]=4 3634 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100009817552_100000203698 [1,1,0,0,0,0|0,1,1]=4 3635 B11R1.172 FC(F)COCC1CCCO1 34a_100000210270_100011934356 [1,1,0,0,0,0|1,0,1]=4 3636 B11R1.172 FC(F)COCC1CCCO1 7a_100000210270_100011934356 [1,1,0,0,0,0|1,0,1]=4 3637 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [1,1,0,0,0,0|0,0,2]=4 3638 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [1,1,0,0,0,0|1,0,1]=4 3639 B11R1.756 CCCOCC1(CCCC1)N 34a_100000749328_100000210303 [1,1,0,0,0,0|1,0,1]=4 3640 B11R1.756 CCCOC[C@@]1(CCCN1)C 34a_100016195882_100000210303 [1,1,0,0,0,0|1,0,1]=4 3641 B11R1.35 C=C(C)C(=O)CC1CCCO1 1458a_100000185857_100000203698 [1,1,0,0,0,0|2,0,0]=4 3642 B11R1.35 CC(=O)N(C)CC1CCCO1 11a_100102946541_100015343762 [1,1,0,0,0,0|1,0,0]=3 3643 B11R1.35 CC(=O)N(C)CC1CCCO1 1626a_100102946541_100015343762 [1,1,0,0,0,0|1,0,0]=3 3644 B11R1.35 CC(=O)N(C)CC1CCCO1 240690a_100102946541_100015343762 [1,1,0,0,0,0|1,0,0]=3 3645 B11R1.35 CC(=O)N(C)CC1CCCO1 527a_100102946541_100103153847 [1,1,0,0,0,0|1,0,0]=3 3646 B11R1.35 CC(=O)N(C)CC1OCCO1 11a_200000032744_100015343762 [1,1,0,0,0,0|2,0,0]=4 3647 B11R1.35 CC(=O)N(C)CC1OCCO1 1626a_200000032744_100015343762 [1,1,0,0,0,0|2,0,0]=4 3648 B11R1.35 CC(=O)N(C)CC1OCCO1 527a_200000032744_100103153847 [1,1,0,0,0,0|2,0,0]=4 3649 B11R1.75 CC(=O)OCC1CCN(C1)C 2230a_100000118262_200000210301 [1,1,0,0,0,0|2,0,0]=4 3650 B11R1.75 CC(=O)OCC1CCN(C1)C 269982a_100000118262_200000210301 [1,1,0,0,0,0|2,0,0]=4 3651 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 2230a_100000118262_200025704644 [1,1,0,0,0,0|2,0,0]=4 3652 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 269982a_100000118262_200025704644 [1,1,0,0,0,0|2,0,0]=4 3653 B11R1.75 CC(=O)OCN1CCC(C1)O 269982a_100011215560_100000076356 [1,1,0,0,0,0|2,0,0]=4 3654 B11R1.75 CC(=O)OCN1CC[C@@H](C1)F 269982a_100015203821_100000076356 [1,1,0,0,0,0|2,0,0]=4 3655 B11R1.75 CC(=O)OCN1CC[C@@H](C1)F 34a_100015203821_100009813279 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.75 CC(=O)OCN1CC[C@H](C1)C 269982a_100016987628_100000076356 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.75 CC(=O)OCN1CC[C@H](C1)C 34a_100016987628_100009813279 [1,1,0,0,0,0|2,0,0]=4 3658 B11R1.77 CC(=O)NC(C)C1CCCC1 11a_100015185923_100015343762 [1,1,0,0,0,0|2,0,0]=4 3659 B11R1.77 CC(=O)NC(C)C1CCCC1 1626a_100015185923_100015343762 [1,1,0,0,0,0|2,0,0]=4 3660 B11R1.77 CC(=O)NC(C)C1CCCC1 240690a_100015185923_100015343762 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.77 CC(=O)NC(C)C1CCCC1 527a_100015185923_100103153847 [1,1,0,0,0,0|2,0,0]=4 3662 B11R1.77 CC(=O)NC(C)C1CCCO1 11a_100025754208_100015343762 [1,1,0,0,0,0|1,0,0]=3 3663 B11R1.77 CC(=O)NC(C)C1CCCO1 1626a_100025754208_100015343762 [1,1,0,0,0,0|1,0,0]=3 3664 B11R1.77 CC(=O)NC(C)C1CCCO1 240690a_100025754208_100015343762 [1,1,0,0,0,0|1,0,0]=3 3665 B11R1.77 CC(=O)NC(C)C1CCCO1 527a_100025754208_100103153847 [1,1,0,0,0,0|1,0,0]=3 3666 B11R1.77 CC(=O)OC(C)N1CCCC1 269982a_100000188435_100009818208 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [1,1,0,0,0,0|2,0,0]=4 3668 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [1,1,0,0,0,0|2,0,0]=4 3669 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [1,1,0,0,0,0|2,0,0]=4 3670 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [1,1,0,0,0,0|2,0,0]=4 3671 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [1,1,0,0,0,0|2,0,0]=4 3672 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [1,1,0,0,0,0|2,0,0]=4 3673 B11R1.510 CC(C)(C)OCC1CCCO1 34a_100000210270_100000210625 [1,1,0,0,0,0|1,0,1]=4 3674 B11R1.510 CC(C)(C)OCC1CCCO1 7a_100015890283_100000203698 [1,1,0,0,0,0|1,0,1]=4 3675 B11R1.510 CS(=O)(=O)NC[C@@H]1CCCO1 40a_100020590478_100000738038 [1,1,0,0,0,0|2,0,0]=4 3676 B11R1.713 CC(=O)CCC1(OCCO1)C 1458a_100000070787_100000758764 [1,1,0,0,0,0|2,0,0]=4 3677 B11R1.713 CC(=O)NCC1(CCCC1)O 11a_100000737848_100015343762 [1,1,0,0,0,0|2,0,0]=4 3678 B11R1.713 CC(=O)NCC1(CCCC1)O 1626a_100000737848_100015343762 [1,1,0,0,0,0|2,0,0]=4 3679 B11R1.713 CC(=O)NCC1(CCCC1)O 240690a_100000737848_100015343762 [1,1,0,0,0,0|2,0,0]=4 3680 B11R1.713 CC(=O)NCC1(CCCC1)O 527a_100000737848_100103153847 [1,1,0,0,0,0|2,0,0]=4 3681 B11R1.713 CC(=O)NCC1(OCCO1)C 11a_100000691740_100015343762 [1,1,0,0,0,0|2,0,0]=4 3682 B11R1.713 CC(=O)NCC1(OCCO1)C 1626a_100000691740_100015343762 [1,1,0,0,0,0|2,0,0]=4 3683 B11R1.713 CC(=O)NCC1(OCCO1)C 240690a_100000691740_100015343762 [1,1,0,0,0,0|2,0,0]=4 3684 B11R1.713 CC(=O)NCC1(OCCO1)C 527a_100000691740_100103153847 [1,1,0,0,0,0|2,0,0]=4 3685 B11R1.31 CCC(=O)C(C)N1CCCC1 1458a_100025750167_100000210202 [0,1,0,0,1,0|2,0,0]=4 3686 B11R1.31 CCC(=O)C(C)N1CCCC1 2230a_100000188435_100000742827 [0,1,0,0,1,0|2,0,0]=4 3687 B11R1.31 CCC(=O)C(C)N1CCCC1 269982a_100000188435_100000742827 [0,1,0,0,1,0|2,0,0]=4 3688 B11R1.31 CCC(=O)N(C)C1CCCC1 11a_100000207505_100000210414 [0,1,0,0,1,0|2,0,0]=4 3689 B11R1.31 CCC(=O)N(C)C1CCCC1 1626a_100000207505_100000210414 [0,1,0,0,1,0|2,0,0]=4 3690 B11R1.31 CCC(=O)N(C)C1CCCC1 240690a_100000207505_100000210414 [0,1,0,0,1,0|2,0,0]=4 3691 B11R1.31 CCC(=O)N(C)C1CCCC1 527a_100000207505_100000210414 [0,1,0,0,1,0|2,0,0]=4 3692 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,1,0,0,1,0|1,0,1]=4 3693 B11R1.39 CCC(=O)CC1CCN(C1)C 1458a_100000210414_200000690779 [0,1,0,0,1,0|2,0,0]=4 3694 B11R1.39 CCC(=O)CC1CNC(=O)O1 1458a_100000210414_100000181169 [0,1,0,0,1,0|1,0,1]=4 3695 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [0,1,0,0,1,0|1,0,1]=4 3696 B11R1.39 CCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747405 [0,1,0,0,1,0|2,0,0]=4 3697 B11R1.39 CCC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000747405 [0,1,0,0,1,0|2,0,0]=4 3698 B11R1.39 CCC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747405 [0,1,0,0,1,0|2,0,0]=4 3699 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,1,0,0,1,0|1,0,1]=4 3700 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210414 [0,1,0,0,1,0|2,0,0]=4 3701 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210414 [0,1,0,0,1,0|2,0,0]=4 3702 B11R1.84 CCN(CC)CC1CCCO1 2230a_100000186375_100000210202 [0,1,0,0,1,0|2,0,0]=4 3703 B11R1.84 CCN(CC)CC1CCCO1 2230a_100000724800_100000203698 [0,1,0,0,1,0|2,0,0]=4 3704 B11R1.84 CCN(CC)CC1CCCO1 269956a_100000042499_100000183445 [0,1,0,0,1,0|2,0,0]=4 3705 B11R1.84 CCN(CC)CC1CCCO1 269982a_100000186375_100000204670 [0,1,0,0,1,0|2,0,0]=4 3706 B11R1.84 CCN(CC)CC1CCCO1 269982a_100000724800_100000183445 [0,1,0,0,1,0|2,0,0]=4 3707 B11R1.84 CCN(CC)CC1CCCO1 34a_100000186375_100000210202 [0,1,0,0,1,0|2,0,0]=4 3708 B11R1.84 CCN(CF)CC1CCCO1 269982a_100000186375_100015361967 [0,1,0,0,1,0|2,0,0]=4 3709 B11R1.84 CCN(CF)CC1CCCO1 34a_100000186375_100015361967 [0,1,0,0,1,0|2,0,0]=4 3710 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,1,0,0,1,0|2,0,0]=4 3711 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,1,0,0,1,0|2,0,0]=4 3712 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,1,0,0,1,0|2,0,0]=4 3713 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [0,1,0,0,1,0|2,0,0]=4 3714 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [0,1,0,0,1,0|2,0,0]=4 3715 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [0,1,0,0,1,0|2,0,0]=4 3716 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [0,1,0,0,1,0|2,0,0]=4 3717 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [0,1,0,0,1,0|2,0,0]=4 3718 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [0,1,0,0,1,0|2,0,0]=4 3719 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [0,1,0,0,1,0|2,0,0]=4 3720 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [0,1,0,0,1,0|2,0,0]=4 3721 B11R1.895 CC1(OCCO1)CC(=O)CF 1458a_100000137474_100015361967 [0,1,0,0,1,0|2,0,0]=4 3722 B11R1.895 CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210202 [0,1,0,0,1,0|1,0,0]=3 3723 B11R1.895 CNC(=O)CC1(OCCO1)C 11a_106832991635_100000137474 [0,1,0,0,1,0|2,0,0]=4 3724 B11R1.895 CNC(=O)CC1(OCCO1)C 527a_100102657272_100000137474 [0,1,0,0,1,0|2,0,0]=4 3725 B11R1.139 CCC(C)(C)OCC1CCC1 7a_100000210230_100000763275 [0,1,0,0,1,0|1,0,1]=4 3726 B11R1.139 CCC(C)(C)OCC1CCO1 7a_100000210230_100000103362 [0,1,0,0,1,0|1,0,1]=4 3727 B11R1.139 CCS(=O)(=O)NCC1CCC1 270084a_100000738700_100000211323 [0,1,0,0,1,0|2,0,0]=4 3728 B11R1.139 CCS(=O)(=O)NCC1CCC1 274078a_100000738700_100000211323 [0,1,0,0,1,0|2,0,0]=4 3729 B11R1.139 CCS(=O)(=O)NCC1CCC1 40a_100000738700_100000053943 [0,1,0,0,1,0|2,0,0]=4 3730 B11R1.139 CCS(=O)(=O)NC[C@@H]1CCO1 270084a_100020831831_100000211323 [0,1,0,0,1,0|2,0,0]=4 3731 B11R1.139 CCS(=O)(=O)NC[C@@H]1CCO1 274078a_100020831831_100000211323 [0,1,0,0,1,0|2,0,0]=4 3732 B11R1.139 CCS(=O)(=O)NC[C@@H]1CCO1 40a_100020831831_100000053943 [0,1,0,0,1,0|2,0,0]=4 3733 B11R1.170 C#CC(CC)OCC1CCC1 34a_100000758843_100000763275 [0,1,0,0,1,0|1,0,1]=4 3734 B11R1.170 C#CC(CC)OCC1CCC1 7a_100000758843_100000763275 [0,1,0,0,1,0|1,0,1]=4 3735 B11R1.170 C#CC(CC)OCC1CCO1 34a_100000758843_100000103362 [0,1,0,0,1,0|1,0,1]=4 3736 B11R1.170 C#CC(CC)OCC1CCO1 7a_100000758843_100000103362 [0,1,0,0,1,0|1,0,1]=4 3737 B11R1.170 C=CC(CC)OCC1CCC1 34a_100000766422_100000763275 [0,1,0,0,1,0|1,0,1]=4 3738 B11R1.170 C=CC(CC)OCC1CCC1 7a_100000766422_100000763275 [0,1,0,0,1,0|1,0,1]=4 3739 B11R1.170 C=CC(CC)OCC1CCO1 34a_100000766422_100000103362 [0,1,0,0,1,0|1,0,1]=4 3740 B11R1.170 C=CC(CC)OCC1CCO1 7a_100000766422_100000103362 [0,1,0,0,1,0|1,0,1]=4 3741 B11R1.170 CCC(CC)OCC1CCC1 7a_100000688536_100000763275 [0,1,0,0,1,0|1,0,1]=4 3742 B11R1.170 CCC(CC)OCC1CCO1 7a_100000688536_100000103362 [0,1,0,0,1,0|1,0,1]=4 3743 B11R1.196 CC(NC(=O)CO)C1CCC1 240690a_100016994624_100000210174 [0,1,0,0,1,0|2,0,0]=4 3744 B11R1.196 CC(NC(=O)CO)C1CCC1 527a_100016994624_100000210174 [0,1,0,0,1,0|2,0,0]=4 3745 B11R1.196 CCC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747405 [0,1,0,0,1,0|1,0,1]=4 3746 B11R1.196 CCC(=O)CC(=O)C1CCC1 1458a_100000210414_100000686122 [0,1,0,0,1,0|1,0,1]=4 3747 B11R1.196 CCC(=O)CC(=O)C1CCO1 1458a_100000089072_100000747405 [0,1,0,0,1,0|1,0,1]=4 3748 B11R1.196 CCC(=O)CN(C)C1CCC1 269982a_100000758072_100000747405 [0,1,0,0,1,0|2,0,0]=4 3749 B11R1.196 CCC(=O)NC(C)C1CCC1 11a_100016994624_100000210414 [0,1,0,0,1,0|1,0,0]=3 3750 B11R1.196 CCC(=O)NC(C)C1CCC1 1626a_100016994624_100000210414 [0,1,0,0,1,0|1,0,0]=3 3751 B11R1.196 CCC(=O)NC(C)C1CCC1 240690a_100016994624_100000210414 [0,1,0,0,1,0|1,0,0]=3 3752 B11R1.196 CCC(=O)NC(C)C1CCC1 527a_100016994624_100000210414 [0,1,0,0,1,0|1,0,0]=3 3753 B11R1.196 CCC(C)OC(C)C1CCC1 34a_100000766398_100011215416 [0,1,0,0,1,0|1,0,1]=4 3754 B11R1.196 CCC(C)OC(C)C1CCC1 7a_100000766398_100000758301 [0,1,0,0,1,0|1,0,1]=4 3755 B11R1.196 CNC(=O)NC(C)C1CCC1 2708a_100016994624_106832991635 [0,1,0,0,1,0|2,0,0]=4 3756 B11R1.196 CNC(=O)NC(C)C1CCC1 2708a_100102657272_100016994624 [0,1,0,0,1,0|2,0,0]=4 3757 B11R1.196 CNC(=O)NC(C)C1CCC1 273464a_100016994624_100102657272 [0,1,0,0,1,0|2,0,0]=4 3758 B11R1.196 CNC(=O)NC(C)C1CCC1 273464a_100102657272_100016994624 [0,1,0,0,1,0|2,0,0]=4 3759 B11R1.196 CNC(=O)NC(C)C1CCC1 512a_100016994624_100102657272 [0,1,0,0,1,0|2,0,0]=4 3760 B11R1.196 CNC(=O)NC(C)C1CCC1 512a_106832991638_100016994624 [0,1,0,0,1,0|2,0,0]=4 3761 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,0,1,0|1,0,1]=4 3762 B11R1.224 C=C1CC(C1)CNC(=O)CC 11a_100102567296_100000210414 [0,1,0,0,1,0|1,0,1]=4 3763 B11R1.224 C=C1CC(C1)CNC(=O)CC 1626a_100102567296_100000210414 [0,1,0,0,1,0|1,0,1]=4 3764 B11R1.224 C=C1CC(C1)CNC(=O)CC 240690a_100102567296_100000210414 [0,1,0,0,1,0|1,0,1]=4 3765 B11R1.224 C=C1CC(C1)CNC(=O)CC 527a_100102567296_100000210414 [0,1,0,0,1,0|1,0,1]=4 3766 B11R1.224 CCC(=O)NCC1CC(C1)O 11a_100016992100_100000210414 [0,1,0,0,1,0|1,0,0]=3 3767 B11R1.224 CCC(=O)NCC1CC(C1)O 240690a_100016992100_100000210414 [0,1,0,0,1,0|1,0,0]=3 3768 B11R1.224 CCC(=O)NCC1CN(C1)C 240690a_100000723568_100000210414 [0,1,0,0,1,0|2,0,0]=4 3769 B11R1.224 CCC(C)OCC1CC(C1)Cl 34a_100009874164_100011215416 [0,1,0,0,1,0|1,0,1]=4 3770 B11R1.224 CNC(=O)NCC1CC(C1)O 2708a_100016992100_106832991635 [0,1,0,0,1,0|2,0,0]=4 3771 B11R1.224 CNC(=O)NCC1CC(C1)O 2708a_100102657272_100016992100 [0,1,0,0,1,0|2,0,0]=4 3772 B11R1.224 CNC(=O)NCC1CC(C1)O 273464a_100016992100_100102657272 [0,1,0,0,1,0|2,0,0]=4 3773 B11R1.224 CNC(=O)NCC1CC(C1)O 273464a_100102657272_100016992100 [0,1,0,0,1,0|2,0,0]=4 3774 B11R1.224 CNC(=O)NCC1CC(C1)O 512a_100016992100_100102657272 [0,1,0,0,1,0|2,0,0]=4 3775 B11R1.224 CNC(=O)NCC1CC(C1)O 512a_106832991638_100016992100 [0,1,0,0,1,0|2,0,0]=4 3776 B11R1.224 O=C(CO)NCC1CC(C1)O 240690a_100016992100_100000210174 [0,1,0,0,1,0|2,0,0]=4 3777 B11R1.289 C#CCC(=O)NCC1CCC1 1626a_100000738700_100011220946 [0,1,0,0,1,0|1,0,1]=4 3778 B11R1.289 C#CCC(=O)NCC1CCC1 527a_100000738700_100011220946 [0,1,0,0,1,0|1,0,1]=4 3779 B11R1.289 C#CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100011220946 [0,1,0,0,1,0|1,0,1]=4 3780 B11R1.289 C#CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100011220946 [0,1,0,0,1,0|1,0,1]=4 3781 B11R1.289 C=CCC(=O)NCC1CCC1 11a_100000738700_100000210193 [0,1,0,0,1,0|1,0,1]=4 3782 B11R1.289 C=CCC(=O)NCC1CCC1 1626a_100000738700_100000210193 [0,1,0,0,1,0|1,0,1]=4 3783 B11R1.289 C=CCC(=O)NCC1CCC1 240690a_100000738700_100000210193 [0,1,0,0,1,0|1,0,1]=4 3784 B11R1.289 C=CCC(=O)NCC1CCC1 527a_100000738700_100000210193 [0,1,0,0,1,0|1,0,1]=4 3785 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210193 [0,1,0,0,1,0|1,0,1]=4 3786 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210193 [0,1,0,0,1,0|1,0,1]=4 3787 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210193 [0,1,0,0,1,0|1,0,1]=4 3788 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210193 [0,1,0,0,1,0|1,0,1]=4 3789 B11R1.289 CC(CCBr)OCC1CCC1 34a_100012276601_100000763275 [0,1,0,0,1,0|1,0,1]=4 3790 B11R1.289 CC(CCBr)OCC1CCO1 34a_100012276601_100000103362 [0,1,0,0,1,0|1,0,1]=4 3791 B11R1.289 CC(CCO)OCC1CCC1 34a_100000760304_100009893172 [0,1,0,0,1,0|1,0,1]=4 3792 B11R1.289 CC(CCO)OCC1CCO1 34a_100000039022_100009893172 [0,1,0,0,1,0|1,0,1]=4 3793 B11R1.289 CC=CC(=O)NCC1CCC1 11a_100000738700_100000210699 [0,1,0,0,1,0|1,0,1]=4 3794 B11R1.289 CC=CC(=O)NCC1CCC1 1626a_100000738700_100000210699 [0,1,0,0,1,0|1,0,1]=4 3795 B11R1.289 CC=CC(=O)NCC1CCC1 240690a_100000738700_100000210699 [0,1,0,0,1,0|1,0,1]=4 3796 B11R1.289 CC=CC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210699 [0,1,0,0,1,0|1,0,1]=4 3797 B11R1.289 CC=CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210699 [0,1,0,0,1,0|1,0,1]=4 3798 B11R1.289 CC=CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210699 [0,1,0,0,1,0|1,0,1]=4 3799 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,1,0,0,1,0|2,0,0]=4 3800 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,1,0,0,1,0|2,0,0]=4 3801 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,1,0,0,1,0|1,0,0]=3 3802 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,1,0,0,1,0|1,0,0]=3 3803 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,1,0,0,1,0|1,0,0]=3 3804 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,1,0,0,1,0|1,0,0]=3 3805 B11R1.289 CCCC(=O)NCC1COC1 11a_100015281925_100000211992 [0,1,0,0,1,0|2,0,0]=4 3806 B11R1.289 CCCC(=O)NCC1COC1 1626a_100015281925_100000211992 [0,1,0,0,1,0|2,0,0]=4 3807 B11R1.289 CCCC(=O)NCC1COC1 240690a_100015281925_100000211992 [0,1,0,0,1,0|2,0,0]=4 3808 B11R1.289 CCCC(=O)NCC1COC1 527a_100015281925_100000211992 [0,1,0,0,1,0|2,0,0]=4 3809 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,1,0,0,1,0|1,0,0]=3 3810 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,1,0,0,1,0|1,0,0]=3 3811 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,1,0,0,1,0|1,0,0]=3 3812 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,1,0,0,1,0|1,0,0]=3 3813 B11R1.289 CCCC(=O)NNC1CCC1 22a_100000736358_100000211992 [0,1,0,0,1,0|2,0,0]=4 3814 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [0,1,0,0,1,0|1,0,0]=3 3815 B11R1.289 CCCC(C)OCC1CCC1 34a_100000760304_100000766640 [0,1,0,0,1,0|1,0,1]=4 3816 B11R1.289 CCCC(C)OCC1CCC1 34a_100000764384_100000763275 [0,1,0,0,1,0|1,0,1]=4 3817 B11R1.289 CCCC(C)OCC1CCC1 7a_100000764384_100000763275 [0,1,0,0,1,0|1,0,1]=4 3818 B11R1.289 CCCC(C)OCC1CCO1 34a_100000039022_100000766640 [0,1,0,0,1,0|1,0,1]=4 3819 B11R1.289 CCCC(C)OCC1CCO1 34a_100000764384_100000103362 [0,1,0,0,1,0|1,0,1]=4 3820 B11R1.289 CCCC(C)OCC1CCO1 7a_100000764384_100000103362 [0,1,0,0,1,0|1,0,1]=4 3821 B11R1.289 CCNC(=O)CCN1CCC1 269982a_100000754969_100000737597 [0,1,0,0,1,0|2,0,0]=4 3822 B11R1.289 CCNC(=O)CNC1CCC1 2230a_100000749019_100000183381 [0,1,0,0,1,0|2,0,0]=4 3823 B11R1.289 CCNC(=O)CNC1CCC1 270004a_100016988866_100000241760 [0,1,0,0,1,0|2,0,0]=4 3824 B11R1.289 CCNC(=O)CNC1CCC1 34a_100000749019_100000183381 [0,1,0,0,1,0|2,0,0]=4 3825 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [0,1,0,0,1,0|2,0,0]=4 3826 B11R1.289 CCNC(=O)CSC1CCC1 62a_100000183381_100000749161 [0,1,0,0,1,0|2,0,0]=4 3827 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [0,1,0,0,1,0|1,0,0]=3 3828 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [0,1,0,0,1,0|1,0,0]=3 3829 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [0,1,0,0,1,0|1,0,0]=3 3830 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [0,1,0,0,1,0|1,0,0]=3 3831 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [0,1,0,0,1,0|1,0,0]=3 3832 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [0,1,0,0,1,0|1,0,0]=3 3833 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015281925_100015525214 [0,1,0,0,1,0|2,0,0]=4 3834 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015525214_100015281925 [0,1,0,0,1,0|2,0,0]=4 3835 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015281925_100015525214 [0,1,0,0,1,0|2,0,0]=4 3836 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015525214_100015281925 [0,1,0,0,1,0|2,0,0]=4 3837 B11R1.289 CCNC(=O)NCC1COC1 512a_100015281925_100015525214 [0,1,0,0,1,0|2,0,0]=4 3838 B11R1.289 CCNC(=O)NCC1COC1 512a_100015525214_100015281925 [0,1,0,0,1,0|2,0,0]=4 3839 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100015525214_100020831831 [0,1,0,0,1,0|1,0,0]=3 3840 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100015525214 [0,1,0,0,1,0|1,0,0]=3 3841 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100015525214_100020831831 [0,1,0,0,1,0|1,0,0]=3 3842 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100015525214 [0,1,0,0,1,0|1,0,0]=3 3843 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100015525214_100020831831 [0,1,0,0,1,0|1,0,0]=3 3844 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100015525214 [0,1,0,0,1,0|1,0,0]=3 3845 B11R1.289 CCNC(=O)NNC1CCC1 273464a_100015525214_100000736358 [0,1,0,0,1,0|2,0,0]=4 3846 B11R1.289 CCNC(=O)NNC1CCC1 512a_100000736358_100015525214 [0,1,0,0,1,0|2,0,0]=4 3847 B11R1.289 CCNC(=O)NNC1CCC1 512a_100015525214_100000736358 [0,1,0,0,1,0|2,0,0]=4 3848 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,1,0,0,1,0|2,0,0]=4 3849 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,1,0,0,1,0|2,0,0]=4 3850 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,1,0,0,1,0|2,0,0]=4 3851 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,1,0,0,1,0|2,0,0]=4 3852 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,1,0,0,1,0|2,0,0]=4 3853 B11R1.289 CNNC(=O)NCC1CCC1 273464a_100000738700_100016993582 [0,1,0,0,1,0|2,0,0]=4 3854 B11R1.289 CNNC(=O)NCC1CCC1 512a_100000738700_100016993582 [0,1,0,0,1,0|2,0,0]=4 3855 B11R1.289 CNNC(=O)NCC1CCC1 512a_100016993582_100000738700 [0,1,0,0,1,0|2,0,0]=4 3856 B11R1.289 CNNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100016993582 [0,1,0,0,1,0|2,0,0]=4 3857 B11R1.289 CNNC(=O)NC[C@@H]1CCO1 512a_100016993582_100020831831 [0,1,0,0,1,0|2,0,0]=4 3858 B11R1.289 CNNC(=O)NC[C@@H]1CCO1 512a_100020831831_100016993582 [0,1,0,0,1,0|2,0,0]=4 3859 B11R1.289 COCC(=O)NCC1CCC1 11a_100000738700_100000210968 [0,1,0,0,1,0|1,0,0]=3 3860 B11R1.289 COCC(=O)NCC1CCC1 1626a_100000738700_100000210968 [0,1,0,0,1,0|1,0,0]=3 3861 B11R1.289 COCC(=O)NCC1CCC1 240690a_100000738700_100000210968 [0,1,0,0,1,0|1,0,0]=3 3862 B11R1.289 COCC(=O)NCC1CCC1 527a_100000738700_100000210968 [0,1,0,0,1,0|1,0,0]=3 3863 B11R1.289 COCC(=O)NCC1COC1 11a_100015281925_100000210968 [0,1,0,0,1,0|2,0,0]=4 3864 B11R1.289 COCC(=O)NCC1COC1 1626a_100015281925_100000210968 [0,1,0,0,1,0|2,0,0]=4 3865 B11R1.289 COCC(=O)NCC1COC1 240690a_100015281925_100000210968 [0,1,0,0,1,0|2,0,0]=4 3866 B11R1.289 COCC(=O)NCC1COC1 527a_100015281925_100000210968 [0,1,0,0,1,0|2,0,0]=4 3867 B11R1.289 COCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210968 [0,1,0,0,1,0|1,0,0]=3 3868 B11R1.289 COCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210968 [0,1,0,0,1,0|1,0,0]=3 3869 B11R1.289 COCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210968 [0,1,0,0,1,0|1,0,0]=3 3870 B11R1.289 COCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210968 [0,1,0,0,1,0|1,0,0]=3 3871 B11R1.289 COCC(=O)NNC1CCC1 22a_100000736358_100000210968 [0,1,0,0,1,0|2,0,0]=4 3872 B11R1.289 COCC(C)OCC1CCC1 34a_100000760304_100000765312 [0,1,0,0,1,0|1,0,1]=4 3873 B11R1.289 COCC(C)OCC1CCO1 34a_100000039022_100000765312 [0,1,0,0,1,0|1,0,1]=4 3874 B11R1.289 COC[C@@H](C)OCC1CCC1 34a_100011934205_100000763275 [0,1,0,0,1,0|1,0,1]=4 3875 B11R1.289 COC[C@@H](C)OCC1CCO1 34a_100011934205_100000103362 [0,1,0,0,1,0|1,0,1]=4 3876 B11R1.289 CSCC(=O)NCC1CCC1 11a_100000738700_100000184570 [0,1,0,0,1,0|1,0,0]=3 3877 B11R1.289 CSCC(=O)NCC1CCC1 1626a_100000738700_100000184570 [0,1,0,0,1,0|1,0,0]=3 3878 B11R1.289 CSCC(=O)NCC1CCC1 240690a_100000738700_100000184570 [0,1,0,0,1,0|1,0,0]=3 3879 B11R1.289 CSCC(=O)NCC1CCC1 527a_100000738700_100000184570 [0,1,0,0,1,0|1,0,0]=3 3880 B11R1.289 CSCC(=O)NCC1COC1 11a_100015281925_100000184570 [0,1,0,0,1,0|2,0,0]=4 3881 B11R1.289 CSCC(=O)NCC1COC1 1626a_100015281925_100000184570 [0,1,0,0,1,0|2,0,0]=4 3882 B11R1.289 CSCC(=O)NCC1COC1 240690a_100015281925_100000184570 [0,1,0,0,1,0|2,0,0]=4 3883 B11R1.289 CSCC(=O)NCC1COC1 527a_100015281925_100000184570 [0,1,0,0,1,0|2,0,0]=4 3884 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000184570 [0,1,0,0,1,0|1,0,0]=3 3885 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000184570 [0,1,0,0,1,0|1,0,0]=3 3886 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000184570 [0,1,0,0,1,0|1,0,0]=3 3887 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000184570 [0,1,0,0,1,0|1,0,0]=3 3888 B11R1.289 CSCC(=O)NNC1CCC1 22a_100000736358_100000184570 [0,1,0,0,1,0|2,0,0]=4 3889 B11R1.289 N#CCC(=O)NCC1CCC1 1626a_100000738700_100051588842 [0,1,0,0,1,0|1,0,1]=4 3890 B11R1.289 N#CCC(=O)NCC1CCC1 240690a_100000738700_100051588842 [0,1,0,0,1,0|1,0,1]=4 3891 B11R1.289 N#CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100051588842 [0,1,0,0,1,0|1,0,1]=4 3892 B11R1.289 N#CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100051588842 [0,1,0,0,1,0|1,0,1]=4 3893 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,1,0,0,1,0|1,0,0]=3 3894 B11R1.289 O=C(CCO)NCC1COC1 240690a_100015281925_100011216618 [0,1,0,0,1,0|2,0,0]=4 3895 B11R1.289 O=C(CCO)NC[C@@H]1CCO1 240690a_100020831831_100011216618 [0,1,0,0,1,0|1,0,0]=3 3896 B11R1.289 O=C(CCO)NNC1CCC1 22a_100000736358_100011216618 [0,1,0,0,1,0|2,0,0]=4 3897 B11R1.293 CCC(=O)C(C)NC1CCC1 2230a_100000749019_100000742827 [0,1,0,0,1,0|2,0,0]=4 3898 B11R1.293 CCC(=O)C(C)SC1CCC1 62a_100000742827_100000749161 [0,1,0,0,1,0|2,0,0]=4 3899 B11R1.293 CCC(=O)N(C)CC1CCC1 11a_200000750244_100000210414 [0,1,0,0,1,0|1,0,0]=3 3900 B11R1.293 CCC(=O)N(C)CC1CCC1 1626a_200000750244_100000210414 [0,1,0,0,1,0|1,0,0]=3 3901 B11R1.293 CCC(=O)N(C)CC1CCC1 240690a_200000750244_100000210414 [0,1,0,0,1,0|1,0,0]=3 3902 B11R1.293 CCC(=O)N(C)CC1CCC1 527a_200000750244_100000210414 [0,1,0,0,1,0|1,0,0]=3 3903 B11R1.293 CN(CC1CCC1)C(=O)CO 240690a_200000750244_100000210174 [0,1,0,0,1,0|2,0,0]=4 3904 B11R1.293 CN(CC1CCC1)C(=O)CO 527a_200000750244_100000210174 [0,1,0,0,1,0|2,0,0]=4 3905 B11R1.293 CNC(=O)C(=O)CC1CCC1 1458a_100011218921_100000763275 [0,1,0,0,1,0|2,0,0]=4 3906 B11R1.293 CNC(=O)C(=O)CC1CCO1 1458a_100011218921_100000103362 [0,1,0,0,1,0|2,0,0]=4 3907 B11R1.293 CNC(=O)N(C)CC1CCC1 2708a_100102657272_200000750244 [0,1,0,0,1,0|2,0,0]=4 3908 B11R1.293 CNC(=O)N(C)CC1CCC1 273464a_100102657272_200000750244 [0,1,0,0,1,0|2,0,0]=4 3909 B11R1.332 C=C(C)C(=O)NCC1CCC1 11a_100000738700_100000185857 [0,1,0,0,1,0|1,0,1]=4 3910 B11R1.332 C=C(C)C(=O)NCC1CCC1 1626a_100000738700_100000185857 [0,1,0,0,1,0|1,0,1]=4 3911 B11R1.332 C=C(C)C(=O)NC[C@@H]1CCO1 11a_100020831831_100000185857 [0,1,0,0,1,0|1,0,1]=4 3912 B11R1.332 C=C(C)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100000185857 [0,1,0,0,1,0|1,0,1]=4 3913 B11R1.332 CC(C)C(=O)CNC1CCC1 2230a_100000749019_100000753385 [0,1,0,0,1,0|2,0,0]=4 3914 B11R1.332 CC(C)C(=O)CNC1CCC1 34a_100000749019_100000753385 [0,1,0,0,1,0|2,0,0]=4 3915 B11R1.332 CC(C)C(=O)COC1CCC1 34a_100000748187_100000753385 [0,1,0,0,1,0|2,0,0]=4 3916 B11R1.332 CC(C)C(=O)CSC1CCC1 62a_100000753385_100000749161 [0,1,0,0,1,0|2,0,0]=4 3917 B11R1.332 CC(C)C(=O)NCC1CCC1 11a_100000738700_100000210198 [0,1,0,0,1,0|1,0,0]=3 3918 B11R1.332 CC(C)C(=O)NCC1CCC1 1626a_100000738700_100000210198 [0,1,0,0,1,0|1,0,0]=3 3919 B11R1.332 CC(C)C(=O)NCC1CCC1 240690a_100000738700_100000210198 [0,1,0,0,1,0|1,0,0]=3 3920 B11R1.332 CC(C)C(=O)NCC1CCC1 527a_100000738700_100000210198 [0,1,0,0,1,0|1,0,0]=3 3921 B11R1.332 CC(C)C(=O)NCC1COC1 11a_100015281925_100000210198 [0,1,0,0,1,0|2,0,0]=4 3922 B11R1.332 CC(C)C(=O)NCC1COC1 1626a_100015281925_100000210198 [0,1,0,0,1,0|2,0,0]=4 3923 B11R1.332 CC(C)C(=O)NCC1COC1 240690a_100015281925_100000210198 [0,1,0,0,1,0|2,0,0]=4 3924 B11R1.332 CC(C)C(=O)NCC1COC1 527a_100015281925_100000210198 [0,1,0,0,1,0|2,0,0]=4 3925 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 11a_100020831831_100000210198 [0,1,0,0,1,0|1,0,0]=3 3926 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210198 [0,1,0,0,1,0|1,0,0]=3 3927 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210198 [0,1,0,0,1,0|1,0,0]=3 3928 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 527a_100020831831_100000210198 [0,1,0,0,1,0|1,0,0]=3 3929 B11R1.332 CC(C)C(=O)NNC1CCC1 22a_100000736358_100000210198 [0,1,0,0,1,0|2,0,0]=4 3930 B11R1.332 CC(C)C(C)OCC1CCC1 7a_100000748068_100000763275 [0,1,0,0,1,0|1,0,1]=4 3931 B11R1.332 CC(C)C(C)OCC1CCO1 7a_100000748068_100000103362 [0,1,0,0,1,0|1,0,1]=4 3932 B11R1.332 CC(F)C(=O)NCC1CCC1 11a_100000738700_100000062450 [0,1,0,0,1,0|1,0,0]=3 3933 B11R1.332 CC(F)C(=O)NCC1CCC1 1626a_100000738700_100000062450 [0,1,0,0,1,0|1,0,0]=3 3934 B11R1.332 CC(F)C(=O)NCC1CCC1 240690a_100000738700_100000062450 [0,1,0,0,1,0|1,0,0]=3 3935 B11R1.332 CC(F)C(=O)NCC1CCC1 527a_100000738700_100000062450 [0,1,0,0,1,0|1,0,0]=3 3936 B11R1.332 CC(F)C(=O)NCC1COC1 11a_100015281925_100000062450 [0,1,0,0,1,0|2,0,0]=4 3937 B11R1.332 CC(F)C(=O)NCC1COC1 1626a_100015281925_100000062450 [0,1,0,0,1,0|2,0,0]=4 3938 B11R1.332 CC(F)C(=O)NCC1COC1 240690a_100015281925_100000062450 [0,1,0,0,1,0|2,0,0]=4 3939 B11R1.332 CC(F)C(=O)NCC1COC1 527a_100015281925_100000062450 [0,1,0,0,1,0|2,0,0]=4 3940 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 11a_100020831831_100000062450 [0,1,0,0,1,0|1,0,0]=3 3941 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100000062450 [0,1,0,0,1,0|1,0,0]=3 3942 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000062450 [0,1,0,0,1,0|1,0,0]=3 3943 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 527a_100020831831_100000062450 [0,1,0,0,1,0|1,0,0]=3 3944 B11R1.332 CC(F)C(=O)NNC1CCC1 22a_100000736358_100000062450 [0,1,0,0,1,0|2,0,0]=4 3945 B11R1.332 CN(C)C(=O)NCC1CCC1 2708a_100000738700_100102631434 [0,1,0,0,1,0|2,0,0]=4 3946 B11R1.332 CN(C)C(=O)NC[C@@H]1CCO1 2708a_100020831831_100102631434 [0,1,0,0,1,0|2,0,0]=4 3947 B11R1.332 C[C@@H](O)C(=O)NCC1CCC1 240690a_100000738700_100000717761 [0,1,0,0,1,0|1,0,0]=3 3948 B11R1.332 C[C@@H](O)C(=O)NCC1COC1 240690a_100015281925_100000717761 [0,1,0,0,1,0|2,0,0]=4 3949 B11R1.332 C[C@@H](O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000717761 [0,1,0,0,1,0|1,0,0]=3 3950 B11R1.332 C[C@@H](O)C(=O)NNC1CCC1 22a_100000736358_100000717761 [0,1,0,0,1,0|2,0,0]=4 3951 B11R1.332 C[C@H](O)C(=O)NCC1CCC1 1626a_100000738700_217856618621 [0,1,0,0,1,0|1,0,0]=3 3952 B11R1.332 C[C@H](O)C(=O)NCC1CCC1 240690a_100000738700_217856618621 [0,1,0,0,1,0|1,0,0]=3 3953 B11R1.332 C[C@H](O)C(=O)NCC1COC1 1626a_100015281925_217856618621 [0,1,0,0,1,0|2,0,0]=4 3954 B11R1.332 C[C@H](O)C(=O)NCC1COC1 240690a_100015281925_217856618621 [0,1,0,0,1,0|2,0,0]=4 3955 B11R1.332 C[C@H](O)C(=O)NC[C@@H]1CCO1 1626a_100020831831_217856618621 [0,1,0,0,1,0|1,0,0]=3 3956 B11R1.332 C[C@H](O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_217856618621 [0,1,0,0,1,0|1,0,0]=3 3957 B11R1.332 C[C@H](O)C(=O)NNC1CCC1 22a_100000736358_217856618621 [0,1,0,0,1,0|2,0,0]=4 3958 B11R1.332 O=C(NCC1CCC1)C(F)F 11a_100000738700_100000210393 [0,1,0,0,1,0|2,0,0]=4 3959 B11R1.332 O=C(NCC1CCC1)C(F)F 1626a_100000738700_100000210393 [0,1,0,0,1,0|2,0,0]=4 3960 B11R1.332 O=C(NCC1CCC1)C(F)F 240690a_100000738700_100000210393 [0,1,0,0,1,0|2,0,0]=4 3961 B11R1.332 O=C(NCC1CCC1)C(F)F 527a_100000738700_100000210393 [0,1,0,0,1,0|2,0,0]=4 3962 B11R1.332 O=C(NCC1CCC1)C(O)O 240690a_100000738700_100000233687 [0,1,0,0,1,0|2,0,0]=4 3963 B11R1.332 O=C(NC[C@@H]1CCO1)C(F)F 11a_100020831831_100000210393 [0,1,0,0,1,0|2,0,0]=4 3964 B11R1.332 O=C(NC[C@@H]1CCO1)C(F)F 1626a_100020831831_100000210393 [0,1,0,0,1,0|2,0,0]=4 3965 B11R1.332 O=C(NC[C@@H]1CCO1)C(F)F 240690a_100020831831_100000210393 [0,1,0,0,1,0|2,0,0]=4 3966 B11R1.332 O=C(NC[C@@H]1CCO1)C(F)F 527a_100020831831_100000210393 [0,1,0,0,1,0|2,0,0]=4 3967 B11R1.332 O=C(NC[C@@H]1CCO1)C(O)O 240690a_100020831831_100000233687 [0,1,0,0,1,0|2,0,0]=4 3968 B11R1.859 CC1(CCC1)CNC(=O)CO 240690a_100000706607_100000210174 [0,1,0,0,1,0|2,0,0]=4 3969 B11R1.859 CC1(CCC1)CNC(=O)CO 527a_100000706607_100000210174 [0,1,0,0,1,0|2,0,0]=4 3970 B11R1.859 CCC(=O)COC1(CCC1)C 7a_100000759064_100000747405 [0,1,0,0,1,0|2,0,0]=4 3971 B11R1.859 CCC(=O)NCC1(CCC1)C 11a_100000706607_100000210414 [0,1,0,0,1,0|1,0,0]=3 3972 B11R1.859 CCC(=O)NCC1(CCC1)C 1626a_100000706607_100000210414 [0,1,0,0,1,0|1,0,0]=3 3973 B11R1.859 CCC(=O)NCC1(CCC1)C 240690a_100000706607_100000210414 [0,1,0,0,1,0|1,0,0]=3 3974 B11R1.859 CCC(=O)NCC1(CCC1)C 527a_100000706607_100000210414 [0,1,0,0,1,0|1,0,0]=3 3975 B11R1.859 CCC(=O)NCC1(CCC1)O 11a_100000752638_100000210414 [0,1,0,0,1,0|1,0,0]=3 3976 B11R1.859 CCC(=O)NCC1(CCC1)O 1626a_100000752638_100000210414 [0,1,0,0,1,0|1,0,0]=3 3977 B11R1.859 CCC(=O)NCC1(CCC1)O 240690a_100000752638_100000210414 [0,1,0,0,1,0|1,0,0]=3 3978 B11R1.859 CCC(=O)NCC1(CCC1)O 527a_100000752638_100000210414 [0,1,0,0,1,0|1,0,0]=3 3979 B11R1.859 CCC(=O)NCC1(COC1)C 1626a_100020631278_100000210414 [0,1,0,0,1,0|2,0,0]=4 3980 B11R1.859 CCC(=O)NCC1(COC1)C 527a_100020631278_100000210414 [0,1,0,0,1,0|2,0,0]=4 3981 B11R1.859 CCC(=O)NCC1(COC1)O 11a_100010264505_100000210414 [0,1,0,0,1,0|2,0,0]=4 3982 B11R1.859 CCC(=O)NCC1(COC1)O 240690a_100010264505_100000210414 [0,1,0,0,1,0|2,0,0]=4 3983 B11R1.859 CCC(=O)NCC1(COC1)O 527a_100010264505_100000210414 [0,1,0,0,1,0|2,0,0]=4 3984 B11R1.859 CCC(C)OCC1(CCC1)C 7a_100000210228_100000726658 [0,1,0,0,1,0|1,0,1]=4 3985 B11R1.859 CNC(=O)NCC1(CCC1)C 2708a_100000706607_106832991635 [0,1,0,0,1,0|2,0,0]=4 3986 B11R1.859 CNC(=O)NCC1(CCC1)C 2708a_100102657272_100000706607 [0,1,0,0,1,0|2,0,0]=4 3987 B11R1.859 CNC(=O)NCC1(CCC1)C 273464a_100000706607_100102657272 [0,1,0,0,1,0|2,0,0]=4 3988 B11R1.859 CNC(=O)NCC1(CCC1)C 273464a_100102657272_100000706607 [0,1,0,0,1,0|2,0,0]=4 3989 B11R1.859 CNC(=O)NCC1(CCC1)C 512a_100000706607_100102657272 [0,1,0,0,1,0|2,0,0]=4 3990 B11R1.859 CNC(=O)NCC1(CCC1)C 512a_106832991638_100000706607 [0,1,0,0,1,0|2,0,0]=4 3991 B11R1.859 CNC(=O)NCC1(CCC1)O 2708a_100000752638_106832991635 [0,1,0,0,1,0|2,0,0]=4 3992 B11R1.859 CNC(=O)NCC1(CCC1)O 2708a_100102657272_100000752638 [0,1,0,0,1,0|2,0,0]=4 3993 B11R1.859 CNC(=O)NCC1(CCC1)O 273464a_100102657272_100000752638 [0,1,0,0,1,0|2,0,0]=4 3994 B11R1.859 CNC(=O)NCC1(CCC1)O 512a_100000752638_100102657272 [0,1,0,0,1,0|2,0,0]=4 3995 B11R1.859 CNC(=O)NCC1(CCC1)O 512a_106832991638_100000752638 [0,1,0,0,1,0|2,0,0]=4 3996 B11R1.859 O=C(CO)NCC1(CCC1)O 240690a_100000752638_100000210174 [0,1,0,0,1,0|2,0,0]=4 3997 B11R1.859 O=C(CO)NCC1(CCC1)O 527a_100000752638_100000210174 [0,1,0,0,1,0|2,0,0]=4 3998 B13R1.11 CCC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000747405 [0,1,0,0,0,1|1,0,1]=4 3999 B13R1.11 CCC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000747405 [0,1,0,0,0,1|1,0,1]=4 4000 B13R1.11 CCC(=O)CC(=O)C1COCCO1 1458a_100000045528_100000747405 [0,1,0,0,0,1|1,0,1]=4 4001 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100000210414 [0,1,0,0,0,1|2,0,0]=4 4002 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100000210414 [0,1,0,0,0,1|2,0,0]=4 4003 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100000210414 [0,1,0,0,0,1|2,0,0]=4 4004 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100000210414 [0,1,0,0,0,1|2,0,0]=4 4005 B13R1.14 CCC(=O)NCC1CCC(CC1)C 11a_103436935547_100000210414 [0,1,0,0,0,1|2,0,0]=4 4006 B13R1.14 CCC(=O)NCC1CCC(CC1)C 1626a_103436935547_100000210414 [0,1,0,0,0,1|2,0,0]=4 4007 B13R1.14 CCC(=O)NCC1CCC(CC1)C 240690a_103436935547_100000210414 [0,1,0,0,0,1|2,0,0]=4 4008 B13R1.14 CCC(=O)NCC1CCC(CC1)C 527a_103436935547_100000210414 [0,1,0,0,0,1|2,0,0]=4 4009 B13R1.14 CCC(=O)NCC1CCN(CC1)C 240690a_100000746316_100000210414 [0,1,0,0,0,1|2,0,0]=4 4010 B13R1.14 CCC(=O)NCC1CCN(CC1)C 527a_100000746316_100000210414 [0,1,0,0,0,1|2,0,0]=4 4011 B13R1.15 CCC(=O)CCC1CCCN(C1)C 1458a_100015186358_100000210202 [0,1,0,0,0,1|2,0,0]=4 4012 B13R1.15 CCC(=O)NCC1CCCC(C1)O 1626a_100011254705_100000210414 [0,1,0,0,0,1|2,0,0]=4 4013 B13R1.15 CCC(=O)NCC1CCCC(C1)O 240690a_100011254705_100000210414 [0,1,0,0,0,1|2,0,0]=4 4014 B13R1.15 CCC(=O)NCC1CCCC(C1)O 527a_100011254705_100000210414 [0,1,0,0,0,1|2,0,0]=4 4015 B13R1.15 CCC(=O)NCC1CN(CCO1)C 11a_100000747556_100000210414 [0,1,0,0,0,1|1,0,0]=3 4016 B13R1.15 CCC(=O)NCC1CN(CCO1)C 240690a_100000747556_100000210414 [0,1,0,0,0,1|1,0,0]=3 4017 B13R1.15 CCC(=O)NCC1CN(CCO1)C 527a_100000747556_100000210414 [0,1,0,0,0,1|1,0,0]=3 4018 B13R1.15 CCC(=O)NC[C@@H]1CCCN(C1)C 240690a_100016993746_100000210414 [0,1,0,0,0,1|2,0,0]=4 4019 B13R1.15 CCC(=O)NC[C@@H]1CCCN(C1)C 527a_100016993746_100000210414 [0,1,0,0,0,1|2,0,0]=4 4020 B13R1.15 CN1CCOC(C1)CNC(=O)CO 240690a_100000747556_100000210174 [0,1,0,0,0,1|2,0,0]=4 4021 B13R1.15 CN1CCOC(C1)CNC(=O)CO 527a_100000747556_100000210174 [0,1,0,0,0,1|2,0,0]=4 4022 B13R1.15 CNC(=O)NCC1CN(CCO1)C 2708a_100000747556_106832991635 [0,1,0,0,0,1|2,0,0]=4 4023 B13R1.15 CNC(=O)NCC1CN(CCO1)C 2708a_100102657272_100000747556 [0,1,0,0,0,1|2,0,0]=4 4024 B13R1.15 CNC(=O)NCC1CN(CCO1)C 273464a_100000747556_100102657272 [0,1,0,0,0,1|2,0,0]=4 4025 B13R1.15 CNC(=O)NCC1CN(CCO1)C 273464a_100102657272_100000747556 [0,1,0,0,0,1|2,0,0]=4 4026 B13R1.15 CNC(=O)NCC1CN(CCO1)C 512a_100000747556_100102657272 [0,1,0,0,0,1|2,0,0]=4 4027 B13R1.15 CNC(=O)NCC1CN(CCO1)C 512a_106832991638_100000747556 [0,1,0,0,0,1|2,0,0]=4 4028 B13R1.42 C#CCC(=O)CCC1OCCCO1 1458a_100011220946_100000764188 [0,1,0,0,0,1|1,0,1]=4 4029 B13R1.42 C#CCC(=O)NCC1CCCCO1 1626a_100000174945_100011220946 [0,1,0,0,0,1|1,0,1]=4 4030 B13R1.42 C#CCC(=O)NCC1CCCCO1 527a_100000174945_100011220946 [0,1,0,0,0,1|1,0,1]=4 4031 B13R1.42 C#CCC(=O)NCC1CCCOC1 1626a_100000720124_100011220946 [0,1,0,0,0,1|1,0,1]=4 4032 B13R1.42 C#CCC(=O)NCC1CCCOC1 527a_100000720124_100011220946 [0,1,0,0,0,1|1,0,1]=4 4033 B13R1.42 C#CCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100011220946 [0,1,0,0,0,1|1,0,1]=4 4034 B13R1.42 C#CCC(=O)NC[C@H]1COCCO1 527a_100010981119_100011220946 [0,1,0,0,0,1|1,0,1]=4 4035 B13R1.42 C=CCC(=O)CCC1OCCCO1 1458a_100000210193_100000764188 [0,1,0,0,0,1|1,0,1]=4 4036 B13R1.42 C=CCC(=O)NCC1CCCCO1 11a_100000174945_100000210193 [0,1,0,0,0,1|1,0,1]=4 4037 B13R1.42 C=CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210193 [0,1,0,0,0,1|1,0,1]=4 4038 B13R1.42 C=CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210193 [0,1,0,0,0,1|1,0,1]=4 4039 B13R1.42 C=CCC(=O)NCC1CCCCO1 527a_100000174945_100000210193 [0,1,0,0,0,1|1,0,1]=4 4040 B13R1.42 C=CCC(=O)NCC1CCCOC1 11a_100000720124_100000210193 [0,1,0,0,0,1|1,0,1]=4 4041 B13R1.42 C=CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210193 [0,1,0,0,0,1|1,0,1]=4 4042 B13R1.42 C=CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210193 [0,1,0,0,0,1|1,0,1]=4 4043 B13R1.42 C=CCC(=O)NCC1CCCOC1 527a_100000720124_100000210193 [0,1,0,0,0,1|1,0,1]=4 4044 B13R1.42 C=CCC(=O)NC[C@H]1COCCO1 11a_100010981119_100000210193 [0,1,0,0,0,1|1,0,1]=4 4045 B13R1.42 C=CCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000210193 [0,1,0,0,0,1|1,0,1]=4 4046 B13R1.42 C=CCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000210193 [0,1,0,0,0,1|1,0,1]=4 4047 B13R1.42 C=CCC(=O)NC[C@H]1COCCO1 527a_100010981119_100000210193 [0,1,0,0,0,1|1,0,1]=4 4048 B13R1.42 CC#CC(=O)CCC1OCCCO1 1458a_100000763181_100000764188 [0,1,0,0,0,1|1,0,1]=4 4049 B13R1.42 CC(CCBr)OCC1CCCCO1 34a_100012276601_100000211543 [0,1,0,0,0,1|1,0,1]=4 4050 B13R1.42 CC(CCBr)OCC1CCCOC1 34a_100012276601_100000741521 [0,1,0,0,0,1|1,0,1]=4 4051 B13R1.42 CC(CCO)OCC1CCCCO1 34a_100000211370_100009893172 [0,1,0,0,0,1|1,0,1]=4 4052 B13R1.42 CC(CCO)OCC1CCCCO1 7a_100000211370_100009893172 [0,1,0,0,0,1|1,0,1]=4 4053 B13R1.42 CC(CCO)OCC1CCCOC1 34a_100000741520_100009893172 [0,1,0,0,0,1|1,0,1]=4 4054 B13R1.42 CC(CCO)OC[C@@H]1CNCCO1 34a_100015189573_100009893172 [0,1,0,0,0,1|1,0,1]=4 4055 B13R1.42 CC(CCO)OC[C@H]1COCCO1 34a_100009875890_100009893172 [0,1,0,0,0,1|1,0,1]=4 4056 B13R1.42 CC=CC(=O)CCC1OCCCO1 1458a_100000210699_100000764188 [0,1,0,0,0,1|1,0,1]=4 4057 B13R1.42 CC=CC(=O)NCC1CCCCO1 11a_100000174945_100000210699 [0,1,0,0,0,1|1,0,1]=4 4058 B13R1.42 CC=CC(=O)NCC1CCCCO1 1626a_100000174945_100000210699 [0,1,0,0,0,1|1,0,1]=4 4059 B13R1.42 CC=CC(=O)NCC1CCCCO1 240690a_100000174945_100000210699 [0,1,0,0,0,1|1,0,1]=4 4060 B13R1.42 CC=CC(=O)NCC1CCCOC1 11a_100000720124_100000210699 [0,1,0,0,0,1|1,0,1]=4 4061 B13R1.42 CC=CC(=O)NCC1CCCOC1 1626a_100000720124_100000210699 [0,1,0,0,0,1|1,0,1]=4 4062 B13R1.42 CC=CC(=O)NCC1CCCOC1 240690a_100000720124_100000210699 [0,1,0,0,0,1|1,0,1]=4 4063 B13R1.42 CC=CC(=O)NC[C@H]1COCCO1 11a_100010981119_100000210699 [0,1,0,0,0,1|1,0,1]=4 4064 B13R1.42 CC=CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000210699 [0,1,0,0,0,1|1,0,1]=4 4065 B13R1.42 CC=CC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000210699 [0,1,0,0,0,1|1,0,1]=4 4066 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,1,0,0,0,1|2,0,0]=4 4067 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,1,0,0,0,1|2,0,0]=4 4068 B13R1.42 CCCC(=O)CCC1CCOCC1 1458a_100000211992_100011934994 [0,1,0,0,0,1|2,0,0]=4 4069 B13R1.42 CCCC(=O)CCC1OCCCO1 1458a_100000211992_100000764188 [0,1,0,0,0,1|1,0,0]=3 4070 B13R1.42 CCCC(=O)CCN1CCCCO1 1458a_200015184090_100000210303 [0,1,0,0,0,1|2,0,0]=4 4071 B13R1.42 CCCC(=O)CNC1CCCOC1 2230a_100000719290_100000747444 [0,1,0,0,0,1|2,0,0]=4 4072 B13R1.42 CCCC(=O)CSC1CCCOC1 62a_100000747444_100000693364 [0,1,0,0,0,1|2,0,0]=4 4073 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [0,1,0,0,0,1|2,0,0]=4 4074 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [0,1,0,0,0,1|2,0,0]=4 4075 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [0,1,0,0,0,1|2,0,0]=4 4076 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [0,1,0,0,0,1|2,0,0]=4 4077 B13R1.42 CCCC(=O)NCC1CCCCO1 11a_100000174945_100000211992 [0,1,0,0,0,1|1,0,0]=3 4078 B13R1.42 CCCC(=O)NCC1CCCCO1 1626a_100000174945_100000211992 [0,1,0,0,0,1|1,0,0]=3 4079 B13R1.42 CCCC(=O)NCC1CCCCO1 240690a_100000174945_100000211992 [0,1,0,0,0,1|1,0,0]=3 4080 B13R1.42 CCCC(=O)NCC1CCCCO1 527a_100000174945_100000211992 [0,1,0,0,0,1|1,0,0]=3 4081 B13R1.42 CCCC(=O)NCC1CCCOC1 11a_100000720124_100000211992 [0,1,0,0,0,1|1,0,0]=3 4082 B13R1.42 CCCC(=O)NCC1CCCOC1 1626a_100000720124_100000211992 [0,1,0,0,0,1|1,0,0]=3 4083 B13R1.42 CCCC(=O)NCC1CCCOC1 240690a_100000720124_100000211992 [0,1,0,0,0,1|1,0,0]=3 4084 B13R1.42 CCCC(=O)NCC1CCCOC1 527a_100000720124_100000211992 [0,1,0,0,0,1|1,0,0]=3 4085 B13R1.42 CCCC(=O)NCC1CCOCC1 11a_100000746373_100000211992 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.42 CCCC(=O)NCC1CCOCC1 1626a_100000746373_100000211992 [0,1,0,0,0,1|2,0,0]=4 4087 B13R1.42 CCCC(=O)NCC1CCOCC1 240690a_100000746373_100000211992 [0,1,0,0,0,1|2,0,0]=4 4088 B13R1.42 CCCC(=O)NCC1CCOCC1 527a_100000746373_100000211992 [0,1,0,0,0,1|2,0,0]=4 4089 B13R1.42 CCCC(=O)NCC1CCSCC1 11a_100015188806_100000211992 [0,1,0,0,0,1|2,0,0]=4 4090 B13R1.42 CCCC(=O)NCC1CCSCC1 240690a_100015188806_100000211992 [0,1,0,0,0,1|2,0,0]=4 4091 B13R1.42 CCCC(=O)NCC1CCSCC1 527a_100015188806_100000211992 [0,1,0,0,0,1|2,0,0]=4 4092 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 11a_100010981119_100000211992 [0,1,0,0,0,1|1,0,0]=3 4093 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000211992 [0,1,0,0,0,1|1,0,0]=3 4094 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000211992 [0,1,0,0,0,1|1,0,0]=3 4095 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 527a_100010981119_100000211992 [0,1,0,0,0,1|1,0,0]=3 4096 B13R1.42 CCCC(=O)OCN1CCCOC1 2230a_100000131196_100000034017 [0,1,0,0,0,1|1,0,0]=3 4097 B13R1.42 CCCC(=O)OCN1CCCOC1 269982a_100000131196_100000034017 [0,1,0,0,0,1|1,0,0]=3 4098 B13R1.42 CCCC(=O)OCN1CCCOC1 34a_100000131196_100000034017 [0,1,0,0,0,1|1,0,0]=3 4099 B13R1.42 CCCC(=O)OCN1CCOCC1 2230a_100015191051_100000034017 [0,1,0,0,0,1|2,0,0]=4 4100 B13R1.42 CCCC(=O)OCN1CCOCC1 269982a_100015191051_100000034017 [0,1,0,0,0,1|2,0,0]=4 4101 B13R1.42 CCCC(=O)OCN1CCOCC1 34a_100015191051_100000034017 [0,1,0,0,0,1|2,0,0]=4 4102 B13R1.42 CCCC(=O)OCN1CCSCC1 2230a_100000737611_100000034017 [0,1,0,0,0,1|2,0,0]=4 4103 B13R1.42 CCCC(=O)OCN1CCSCC1 269982a_100000737611_100000034017 [0,1,0,0,0,1|2,0,0]=4 4104 B13R1.42 CCCC(C)OCC1CCCCO1 34a_100000211370_100000766640 [0,1,0,0,0,1|1,0,1]=4 4105 B13R1.42 CCCC(C)OCC1CCCCO1 34a_100000764384_100000211543 [0,1,0,0,0,1|1,0,1]=4 4106 B13R1.42 CCCC(C)OCC1CCCCO1 7a_100000211370_100000766640 [0,1,0,0,0,1|1,0,1]=4 4107 B13R1.42 CCCC(C)OCC1CCCCO1 7a_100000764384_100000211543 [0,1,0,0,0,1|1,0,1]=4 4108 B13R1.42 CCCC(C)OCC1CCCOC1 34a_100000741520_100000766640 [0,1,0,0,0,1|1,0,1]=4 4109 B13R1.42 CCCC(C)OCC1CCCOC1 34a_100000764384_100000741521 [0,1,0,0,0,1|1,0,1]=4 4110 B13R1.42 CCCC(C)OCC1CCCOC1 7a_100000764384_100000741521 [0,1,0,0,0,1|1,0,1]=4 4111 B13R1.42 CCCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000766640 [0,1,0,0,0,1|1,0,1]=4 4112 B13R1.42 CCCC(C)OC[C@H]1COCCO1 34a_100009875890_100000766640 [0,1,0,0,0,1|1,0,1]=4 4113 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [0,1,0,0,0,1|2,0,0]=4 4114 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [0,1,0,0,0,1|2,0,0]=4 4115 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [0,1,0,0,0,1|2,0,0]=4 4116 B13R1.42 CCNC(=O)CCN1CCCCO1 240690a_100015525214_200015184090 [0,1,0,0,0,1|2,0,0]=4 4117 B13R1.42 CCNC(=O)CCN1CCCOC1 2230a_100000131196_100000737597 [0,1,0,0,0,1|2,0,0]=4 4118 B13R1.42 CCNC(=O)CCN1CCCOC1 269982a_100000131196_100000737597 [0,1,0,0,0,1|2,0,0]=4 4119 B13R1.42 CCNC(=O)CNC1CCCOC1 2230a_100000719290_100000183381 [0,1,0,0,0,1|2,0,0]=4 4120 B13R1.42 CCNC(=O)CNC1CCCOC1 270004a_100016988866_100000753404 [0,1,0,0,0,1|2,0,0]=4 4121 B13R1.42 CCNC(=O)CNC1CCCOC1 34a_100000719290_100000183381 [0,1,0,0,0,1|2,0,0]=4 4122 B13R1.42 CCNC(=O)COC1CCCCO1 34a_100000033831_100000183381 [0,1,0,0,0,1|2,0,0]=4 4123 B13R1.42 CCNC(=O)COC1CCCOC1 34a_100000754041_100000183381 [0,1,0,0,0,1|2,0,0]=4 4124 B13R1.42 CCNC(=O)CSC1CCCOC1 62a_100000183381_100000693364 [0,1,0,0,0,1|2,0,0]=4 4125 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [0,1,0,0,0,1|2,0,0]=4 4126 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [0,1,0,0,0,1|2,0,0]=4 4127 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [0,1,0,0,0,1|2,0,0]=4 4128 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [0,1,0,0,0,1|2,0,0]=4 4129 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [0,1,0,0,0,1|2,0,0]=4 4130 B13R1.42 CCNC(=O)NCC1CCCCO1 2708a_100000174945_100015525214 [0,1,0,0,0,1|1,0,0]=3 4131 B13R1.42 CCNC(=O)NCC1CCCCO1 2708a_100015525214_100000174945 [0,1,0,0,0,1|1,0,0]=3 4132 B13R1.42 CCNC(=O)NCC1CCCCO1 273464a_100000174945_100015525214 [0,1,0,0,0,1|1,0,0]=3 4133 B13R1.42 CCNC(=O)NCC1CCCCO1 273464a_100015525214_100000174945 [0,1,0,0,0,1|1,0,0]=3 4134 B13R1.42 CCNC(=O)NCC1CCCCO1 512a_100000174945_100015525214 [0,1,0,0,0,1|1,0,0]=3 4135 B13R1.42 CCNC(=O)NCC1CCCCO1 512a_100015525214_100000174945 [0,1,0,0,0,1|1,0,0]=3 4136 B13R1.42 CCNC(=O)NCC1CCCOC1 2708a_100000720124_100015525214 [0,1,0,0,0,1|1,0,0]=3 4137 B13R1.42 CCNC(=O)NCC1CCCOC1 2708a_100015525214_100000720124 [0,1,0,0,0,1|1,0,0]=3 4138 B13R1.42 CCNC(=O)NCC1CCCOC1 273464a_100000720124_100015525214 [0,1,0,0,0,1|1,0,0]=3 4139 B13R1.42 CCNC(=O)NCC1CCCOC1 273464a_100015525214_100000720124 [0,1,0,0,0,1|1,0,0]=3 4140 B13R1.42 CCNC(=O)NCC1CCCOC1 512a_100000720124_100015525214 [0,1,0,0,0,1|1,0,0]=3 4141 B13R1.42 CCNC(=O)NCC1CCCOC1 512a_100015525214_100000720124 [0,1,0,0,0,1|1,0,0]=3 4142 B13R1.42 CCNC(=O)NCC1CCOCC1 2708a_100000746373_100015525214 [0,1,0,0,0,1|2,0,0]=4 4143 B13R1.42 CCNC(=O)NCC1CCOCC1 2708a_100015525214_100000746373 [0,1,0,0,0,1|2,0,0]=4 4144 B13R1.42 CCNC(=O)NCC1CCOCC1 273464a_100000746373_100015525214 [0,1,0,0,0,1|2,0,0]=4 4145 B13R1.42 CCNC(=O)NCC1CCOCC1 273464a_100015525214_100000746373 [0,1,0,0,0,1|2,0,0]=4 4146 B13R1.42 CCNC(=O)NCC1CCOCC1 512a_100000746373_100015525214 [0,1,0,0,0,1|2,0,0]=4 4147 B13R1.42 CCNC(=O)NCC1CCOCC1 512a_100015525214_100000746373 [0,1,0,0,0,1|2,0,0]=4 4148 B13R1.42 CCNC(=O)NCC1CCSCC1 2708a_100015188806_100015525214 [0,1,0,0,0,1|2,0,0]=4 4149 B13R1.42 CCNC(=O)NCC1CCSCC1 2708a_100015525214_100015188806 [0,1,0,0,0,1|2,0,0]=4 4150 B13R1.42 CCNC(=O)NCC1CCSCC1 273464a_100015188806_100015525214 [0,1,0,0,0,1|2,0,0]=4 4151 B13R1.42 CCNC(=O)NCC1CCSCC1 273464a_100015525214_100015188806 [0,1,0,0,0,1|2,0,0]=4 4152 B13R1.42 CCNC(=O)NCC1CCSCC1 512a_100015188806_100015525214 [0,1,0,0,0,1|2,0,0]=4 4153 B13R1.42 CCNC(=O)NCC1CCSCC1 512a_100015525214_100015188806 [0,1,0,0,0,1|2,0,0]=4 4154 B13R1.42 CCNC(=O)NC[C@H]1COCCO1 2708a_100010981119_100015525214 [0,1,0,0,0,1|1,0,0]=3 4155 B13R1.42 CCNC(=O)NC[C@H]1COCCO1 2708a_100015525214_100010981119 [0,1,0,0,0,1|1,0,0]=3 4156 B13R1.42 CCNC(=O)NC[C@H]1COCCO1 273464a_100010981119_100015525214 [0,1,0,0,0,1|1,0,0]=3 4157 B13R1.42 CCNC(=O)NC[C@H]1COCCO1 273464a_100015525214_100010981119 [0,1,0,0,0,1|1,0,0]=3 4158 B13R1.42 CCNC(=O)NC[C@H]1COCCO1 512a_100010981119_100015525214 [0,1,0,0,0,1|1,0,0]=3 4159 B13R1.42 CCNC(=O)NC[C@H]1COCCO1 512a_100015525214_100010981119 [0,1,0,0,0,1|1,0,0]=3 4160 B13R1.42 CCOC(=O)CCN1CCCOC1 2230a_100000131196_100011206558 [0,1,0,0,0,1|2,0,0]=4 4161 B13R1.42 CCOC(=O)CCN1CCCOC1 269982a_100000131196_100011206558 [0,1,0,0,0,1|2,0,0]=4 4162 B13R1.42 CCOC(=O)CCN1CCCOC1 34a_100000131196_100000765890 [0,1,0,0,0,1|2,0,0]=4 4163 B13R1.42 CCOC(=O)CNC1CCCOC1 2230a_100000719290_100000188475 [0,1,0,0,0,1|2,0,0]=4 4164 B13R1.42 CCOC(=O)CNC1CCCOC1 34a_100000719290_100000188475 [0,1,0,0,0,1|2,0,0]=4 4165 B13R1.42 CCOC(=O)COC1CCCCO1 34a_100000033831_100000188475 [0,1,0,0,0,1|2,0,0]=4 4166 B13R1.42 CCOC(=O)COC1CCCOC1 34a_100000754041_100000188475 [0,1,0,0,0,1|2,0,0]=4 4167 B13R1.42 CCOC(=O)CSC1CCCOC1 62a_100000188475_100000693364 [0,1,0,0,0,1|2,0,0]=4 4168 B13R1.42 CNCC(=O)NCC1CCCCC1 2230a_106832991635_100000183341 [0,1,0,0,0,1|2,0,0]=4 4169 B13R1.42 CNCC(=O)NCC1CCCCC1 34a_100102657272_100000183341 [0,1,0,0,0,1|2,0,0]=4 4170 B13R1.42 CNCC(=O)NCC1CCCCC1 7a_106832991635_100000183341 [0,1,0,0,0,1|2,0,0]=4 4171 B13R1.42 CNNC(=O)NCC1CCCCO1 273464a_100000174945_100016993582 [0,1,0,0,0,1|2,0,0]=4 4172 B13R1.42 CNNC(=O)NCC1CCCCO1 512a_100000174945_100016993582 [0,1,0,0,0,1|2,0,0]=4 4173 B13R1.42 CNNC(=O)NCC1CCCCO1 512a_100016993582_100000174945 [0,1,0,0,0,1|2,0,0]=4 4174 B13R1.42 CNNC(=O)NCC1CCCOC1 273464a_100000720124_100016993582 [0,1,0,0,0,1|2,0,0]=4 4175 B13R1.42 CNNC(=O)NCC1CCCOC1 512a_100000720124_100016993582 [0,1,0,0,0,1|2,0,0]=4 4176 B13R1.42 CNNC(=O)NCC1CCCOC1 512a_100016993582_100000720124 [0,1,0,0,0,1|2,0,0]=4 4177 B13R1.42 CNNC(=O)NC[C@H]1COCCO1 273464a_100010981119_100016993582 [0,1,0,0,0,1|2,0,0]=4 4178 B13R1.42 CNNC(=O)NC[C@H]1COCCO1 512a_100010981119_100016993582 [0,1,0,0,0,1|2,0,0]=4 4179 B13R1.42 CNNC(=O)NC[C@H]1COCCO1 512a_100016993582_100010981119 [0,1,0,0,0,1|2,0,0]=4 4180 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [0,1,0,0,0,1|2,0,0]=4 4181 B13R1.42 COCC(=O)CCC1CCOCC1 1458a_100000210968_100011934994 [0,1,0,0,0,1|2,0,0]=4 4182 B13R1.42 COCC(=O)CCC1OCCCO1 1458a_100000210968_100000764188 [0,1,0,0,0,1|1,0,0]=3 4183 B13R1.42 COCC(=O)NCC1CCCCC1 11a_100000210473_100000210968 [0,1,0,0,0,1|2,0,0]=4 4184 B13R1.42 COCC(=O)NCC1CCCCC1 1626a_100000210473_100000210968 [0,1,0,0,0,1|2,0,0]=4 4185 B13R1.42 COCC(=O)NCC1CCCCC1 240690a_100000210473_100000210968 [0,1,0,0,0,1|2,0,0]=4 4186 B13R1.42 COCC(=O)NCC1CCCCC1 34a_100138415774_100000183341 [0,1,0,0,0,1|2,0,0]=4 4187 B13R1.42 COCC(=O)NCC1CCCCC1 527a_100000210473_100000210968 [0,1,0,0,0,1|2,0,0]=4 4188 B13R1.42 COCC(=O)NCC1CCCCO1 11a_100000174945_100000210968 [0,1,0,0,0,1|1,0,0]=3 4189 B13R1.42 COCC(=O)NCC1CCCCO1 1626a_100000174945_100000210968 [0,1,0,0,0,1|1,0,0]=3 4190 B13R1.42 COCC(=O)NCC1CCCCO1 240690a_100000174945_100000210968 [0,1,0,0,0,1|1,0,0]=3 4191 B13R1.42 COCC(=O)NCC1CCCCO1 527a_100000174945_100000210968 [0,1,0,0,0,1|1,0,0]=3 4192 B13R1.42 COCC(=O)NCC1CCCOC1 11a_100000720124_100000210968 [0,1,0,0,0,1|1,0,0]=3 4193 B13R1.42 COCC(=O)NCC1CCCOC1 1626a_100000720124_100000210968 [0,1,0,0,0,1|1,0,0]=3 4194 B13R1.42 COCC(=O)NCC1CCCOC1 240690a_100000720124_100000210968 [0,1,0,0,0,1|1,0,0]=3 4195 B13R1.42 COCC(=O)NCC1CCCOC1 527a_100000720124_100000210968 [0,1,0,0,0,1|1,0,0]=3 4196 B13R1.42 COCC(=O)NCC1CCOCC1 11a_100000746373_100000210968 [0,1,0,0,0,1|2,0,0]=4 4197 B13R1.42 COCC(=O)NCC1CCOCC1 1626a_100000746373_100000210968 [0,1,0,0,0,1|2,0,0]=4 4198 B13R1.42 COCC(=O)NCC1CCOCC1 240690a_100000746373_100000210968 [0,1,0,0,0,1|2,0,0]=4 4199 B13R1.42 COCC(=O)NCC1CCOCC1 527a_100000746373_100000210968 [0,1,0,0,0,1|2,0,0]=4 4200 B13R1.42 COCC(=O)NCC1CCSCC1 11a_100015188806_100000210968 [0,1,0,0,0,1|2,0,0]=4 4201 B13R1.42 COCC(=O)NCC1CCSCC1 240690a_100015188806_100000210968 [0,1,0,0,0,1|2,0,0]=4 4202 B13R1.42 COCC(=O)NCC1CCSCC1 527a_100015188806_100000210968 [0,1,0,0,0,1|2,0,0]=4 4203 B13R1.42 COCC(=O)NC[C@H]1COCCO1 11a_100010981119_100000210968 [0,1,0,0,0,1|1,0,0]=3 4204 B13R1.42 COCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000210968 [0,1,0,0,0,1|1,0,0]=3 4205 B13R1.42 COCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000210968 [0,1,0,0,0,1|1,0,0]=3 4206 B13R1.42 COCC(=O)NC[C@H]1COCCO1 527a_100010981119_100000210968 [0,1,0,0,0,1|1,0,0]=3 4207 B13R1.42 COCC(C)OCC1CCCCO1 34a_100000211370_100000765312 [0,1,0,0,0,1|1,0,1]=4 4208 B13R1.42 COCC(C)OCC1CCCCO1 7a_100000211370_100000765312 [0,1,0,0,0,1|1,0,1]=4 4209 B13R1.42 COCC(C)OCC1CCCOC1 34a_100000741520_100000765312 [0,1,0,0,0,1|1,0,1]=4 4210 B13R1.42 COCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000765312 [0,1,0,0,0,1|1,0,1]=4 4211 B13R1.42 COCC(C)OC[C@H]1COCCO1 34a_100009875890_100000765312 [0,1,0,0,0,1|1,0,1]=4 4212 B13R1.42 COC[C@@H](C)OCC1CCCCO1 34a_100011934205_100000211543 [0,1,0,0,0,1|1,0,1]=4 4213 B13R1.42 COC[C@@H](C)OCC1CCCOC1 34a_100011934205_100000741521 [0,1,0,0,0,1|1,0,1]=4 4214 B13R1.42 CSCC(=O)CCC1CCCCC1 1458a_100000184570_100011273959 [0,1,0,0,0,1|2,0,0]=4 4215 B13R1.42 CSCC(=O)CCC1CCOCC1 1458a_100000184570_100011934994 [0,1,0,0,0,1|2,0,0]=4 4216 B13R1.42 CSCC(=O)CCC1OCCCO1 1458a_100000184570_100000764188 [0,1,0,0,0,1|1,0,0]=3 4217 B13R1.42 CSCC(=O)NCC1CCCCC1 11a_100000210473_100000184570 [0,1,0,0,0,1|2,0,0]=4 4218 B13R1.42 CSCC(=O)NCC1CCCCC1 1626a_100000210473_100000184570 [0,1,0,0,0,1|2,0,0]=4 4219 B13R1.42 CSCC(=O)NCC1CCCCC1 240690a_100000210473_100000184570 [0,1,0,0,0,1|2,0,0]=4 4220 B13R1.42 CSCC(=O)NCC1CCCCC1 527a_100000210473_100000184570 [0,1,0,0,0,1|2,0,0]=4 4221 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_100000183341_200000210301 [0,1,0,0,0,1|2,0,0]=4 4222 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_200000210301_100000183341 [0,1,0,0,0,1|2,0,0]=4 4223 B13R1.42 CSCC(=O)NCC1CCCCO1 11a_100000174945_100000184570 [0,1,0,0,0,1|1,0,0]=3 4224 B13R1.42 CSCC(=O)NCC1CCCCO1 1626a_100000174945_100000184570 [0,1,0,0,0,1|1,0,0]=3 4225 B13R1.42 CSCC(=O)NCC1CCCCO1 240690a_100000174945_100000184570 [0,1,0,0,0,1|1,0,0]=3 4226 B13R1.42 CSCC(=O)NCC1CCCCO1 527a_100000174945_100000184570 [0,1,0,0,0,1|1,0,0]=3 4227 B13R1.42 CSCC(=O)NCC1CCCOC1 11a_100000720124_100000184570 [0,1,0,0,0,1|1,0,0]=3 4228 B13R1.42 CSCC(=O)NCC1CCCOC1 1626a_100000720124_100000184570 [0,1,0,0,0,1|1,0,0]=3 4229 B13R1.42 CSCC(=O)NCC1CCCOC1 240690a_100000720124_100000184570 [0,1,0,0,0,1|1,0,0]=3 4230 B13R1.42 CSCC(=O)NCC1CCCOC1 527a_100000720124_100000184570 [0,1,0,0,0,1|1,0,0]=3 4231 B13R1.42 CSCC(=O)NCC1CCOCC1 11a_100000746373_100000184570 [0,1,0,0,0,1|2,0,0]=4 4232 B13R1.42 CSCC(=O)NCC1CCOCC1 1626a_100000746373_100000184570 [0,1,0,0,0,1|2,0,0]=4 4233 B13R1.42 CSCC(=O)NCC1CCOCC1 240690a_100000746373_100000184570 [0,1,0,0,0,1|2,0,0]=4 4234 B13R1.42 CSCC(=O)NCC1CCOCC1 527a_100000746373_100000184570 [0,1,0,0,0,1|2,0,0]=4 4235 B13R1.42 CSCC(=O)NCC1CCSCC1 11a_100015188806_100000184570 [0,1,0,0,0,1|2,0,0]=4 4236 B13R1.42 CSCC(=O)NCC1CCSCC1 240690a_100015188806_100000184570 [0,1,0,0,0,1|2,0,0]=4 4237 B13R1.42 CSCC(=O)NCC1CCSCC1 527a_100015188806_100000184570 [0,1,0,0,0,1|2,0,0]=4 4238 B13R1.42 CSCC(=O)NC[C@H]1COCCO1 11a_100010981119_100000184570 [0,1,0,0,0,1|1,0,0]=3 4239 B13R1.42 CSCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000184570 [0,1,0,0,0,1|1,0,0]=3 4240 B13R1.42 CSCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000184570 [0,1,0,0,0,1|1,0,0]=3 4241 B13R1.42 CSCC(=O)NC[C@H]1COCCO1 527a_100010981119_100000184570 [0,1,0,0,0,1|1,0,0]=3 4242 B13R1.42 N#CCC(=O)CCC1OCCCO1 1458a_100051588842_100000764188 [0,1,0,0,0,1|1,0,1]=4 4243 B13R1.42 N#CCC(=O)NCC1CCCCO1 1626a_100000174945_100051588842 [0,1,0,0,0,1|1,0,1]=4 4244 B13R1.42 N#CCC(=O)NCC1CCCCO1 240690a_100000174945_100051588842 [0,1,0,0,0,1|1,0,1]=4 4245 B13R1.42 N#CCC(=O)NCC1CCCOC1 1626a_100000720124_100051588842 [0,1,0,0,0,1|1,0,1]=4 4246 B13R1.42 N#CCC(=O)NCC1CCCOC1 240690a_100000720124_100051588842 [0,1,0,0,0,1|1,0,1]=4 4247 B13R1.42 N#CCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100051588842 [0,1,0,0,0,1|1,0,1]=4 4248 B13R1.42 N#CCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100051588842 [0,1,0,0,0,1|1,0,1]=4 4249 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [0,1,0,0,0,1|2,0,0]=4 4250 B13R1.42 O=C(CCF)CCN1CCCCO1 1458a_200015184090_100011217306 [0,1,0,0,0,1|2,0,0]=4 4251 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [0,1,0,0,0,1|2,0,0]=4 4252 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [0,1,0,0,0,1|2,0,0]=4 4253 B13R1.42 O=C(CCO)CCC1CCOCC1 1458a_100011216618_100011934994 [0,1,0,0,0,1|2,0,0]=4 4254 B13R1.42 O=C(CCO)CCC1OCCCO1 1458a_100011216618_100000764188 [0,1,0,0,0,1|1,0,0]=3 4255 B13R1.42 O=C(CCO)CCN1CCCCO1 1458a_200015184090_100000211926 [0,1,0,0,0,1|2,0,0]=4 4256 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [0,1,0,0,0,1|2,0,0]=4 4257 B13R1.42 O=C(CCO)NCC1CCCCO1 240690a_100000174945_100011216618 [0,1,0,0,0,1|1,0,0]=3 4258 B13R1.42 O=C(CCO)NCC1CCCOC1 240690a_100000720124_100011216618 [0,1,0,0,0,1|1,0,0]=3 4259 B13R1.42 O=C(CCO)NCC1CCOCC1 240690a_100000746373_100011216618 [0,1,0,0,0,1|2,0,0]=4 4260 B13R1.42 O=C(CCO)NCC1CCSCC1 240690a_100015188806_100011216618 [0,1,0,0,0,1|2,0,0]=4 4261 B13R1.42 O=C(CCO)NC[C@H]1COCCO1 240690a_100010981119_100011216618 [0,1,0,0,0,1|1,0,0]=3 4262 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_100000183341_200025704644 [0,1,0,0,0,1|2,0,0]=4 4263 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_200025704644_100000183341 [0,1,0,0,0,1|2,0,0]=4 4264 B13R1.135 CCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000210202 [0,1,0,0,0,1|2,0,0]=4 4265 B13R1.135 CCC(=O)C(C)NC1CCCOC1 2230a_100000719290_100000742827 [0,1,0,0,0,1|2,0,0]=4 4266 B13R1.135 CCC(=O)C(C)SC1CCCOC1 62a_100000742827_100000693364 [0,1,0,0,0,1|2,0,0]=4 4267 B13R1.135 CCC(=O)N(C)CC1CCCCC1 11a_100000736448_100000210414 [0,1,0,0,0,1|2,0,0]=4 4268 B13R1.135 CCC(=O)N(C)CC1CCCCC1 1626a_100000736448_100000210414 [0,1,0,0,0,1|2,0,0]=4 4269 B13R1.135 CCC(=O)N(C)CC1CCCCC1 240690a_100000736448_100000210414 [0,1,0,0,0,1|2,0,0]=4 4270 B13R1.135 CCC(=O)N(C)CC1CCCCC1 527a_100000736448_100000210414 [0,1,0,0,0,1|2,0,0]=4 4271 B13R1.135 CCC(=O)N(C)CC1CCCCO1 11a_100000225654_100000210414 [0,1,0,0,0,1|1,0,0]=3 4272 B13R1.135 CCC(=O)N(C)CC1CCCCO1 1626a_100000225654_100000210414 [0,1,0,0,0,1|1,0,0]=3 4273 B13R1.135 CCC(=O)N(C)CC1CCCCO1 240690a_100000225654_100000210414 [0,1,0,0,0,1|1,0,0]=3 4274 B13R1.135 CCC(=O)N(C)CC1CCCCO1 527a_100000225654_100000210414 [0,1,0,0,0,1|1,0,0]=3 4275 B13R1.135 CCC(=O)N(C)CC1CCOCC1 11a_100025706683_100000210414 [0,1,0,0,0,1|2,0,0]=4 4276 B13R1.135 CCC(=O)N(C)CC1CCOCC1 1626a_100025706683_100000210414 [0,1,0,0,0,1|2,0,0]=4 4277 B13R1.135 CCC(=O)N(C)CC1CCOCC1 240690a_100025706683_100000210414 [0,1,0,0,0,1|2,0,0]=4 4278 B13R1.135 CCC(=O)N(C)CC1CCOCC1 527a_100025706683_100000210414 [0,1,0,0,0,1|2,0,0]=4 4279 B13R1.135 CCC(=O)N(C)CC1CCSCC1 11a_100011935259_100000210414 [0,1,0,0,0,1|2,0,0]=4 4280 B13R1.135 CCC(=O)N(C)CC1CCSCC1 240690a_100011935259_100000210414 [0,1,0,0,0,1|2,0,0]=4 4281 B13R1.135 CCC(=O)N(C)CC1CCSCC1 527a_100011935259_100000210414 [0,1,0,0,0,1|2,0,0]=4 4282 B13R1.135 CCC(=O)N(C)CC1COCCO1 11a_100011398995_100000210414 [0,1,0,0,0,1|1,0,0]=3 4283 B13R1.135 CCC(=O)N(C)CC1COCCO1 1626a_100011398995_100000210414 [0,1,0,0,0,1|1,0,0]=3 4284 B13R1.135 CCC(=O)N(C)CC1COCCO1 240690a_100011398995_100000210414 [0,1,0,0,0,1|1,0,0]=3 4285 B13R1.135 CCC(=O)N(C)CC1COCCO1 527a_100011398995_100000210414 [0,1,0,0,0,1|1,0,0]=3 4286 B13R1.135 CCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000210202 [0,1,0,0,0,1|2,0,0]=4 4287 B13R1.135 CN(CC1CCCCO1)C(=O)CO 240690a_100000225654_100000210174 [0,1,0,0,0,1|2,0,0]=4 4288 B13R1.135 CN(CC1CCCCO1)C(=O)CO 527a_100000225654_100000210174 [0,1,0,0,0,1|2,0,0]=4 4289 B13R1.135 CN(CC1COCCO1)C(=O)CO 240690a_100011398995_100000210174 [0,1,0,0,0,1|2,0,0]=4 4290 B13R1.135 CN(CC1COCCO1)C(=O)CO 527a_100011398995_100000210174 [0,1,0,0,0,1|2,0,0]=4 4291 B13R1.135 CNC(=O)C(=O)CC1CCCCO1 1458a_100011218921_100000211543 [0,1,0,0,0,1|2,0,0]=4 4292 B13R1.135 CNC(=O)C(=O)CC1CCCOC1 1458a_100011218921_100000741521 [0,1,0,0,0,1|2,0,0]=4 4293 B13R1.135 CNC(=O)N(C)CC1CCCCO1 2708a_100102657272_100000225654 [0,1,0,0,0,1|2,0,0]=4 4294 B13R1.135 CNC(=O)N(C)CC1CCCCO1 273464a_100102657272_100000225654 [0,1,0,0,0,1|2,0,0]=4 4295 B13R1.135 CNC(=O)N(C)CC1COCCO1 2708a_100102657272_100011398995 [0,1,0,0,0,1|2,0,0]=4 4296 B13R1.135 CNC(=O)N(C)CC1COCCO1 273464a_100102657272_100011398995 [0,1,0,0,0,1|2,0,0]=4 4297 B13R1.254 CCC(C)(C)OCC1CCCCO1 7a_100000210230_100000211543 [0,1,0,0,0,1|1,0,1]=4 4298 B13R1.254 CCC(C)(C)OCC1CCCCO1 7a_100000211370_100000210677 [0,1,0,0,0,1|1,0,1]=4 4299 B13R1.254 CCC(C)(C)OCC1CCCOC1 7a_100000210230_100000741521 [0,1,0,0,0,1|1,0,1]=4 4300 B13R1.254 CCS(=O)(=O)NCC1CCCCO1 270084a_100000174945_100000211323 [0,1,0,0,0,1|2,0,0]=4 4301 B13R1.254 CCS(=O)(=O)NCC1CCCCO1 274078a_100000174945_100000211323 [0,1,0,0,0,1|2,0,0]=4 4302 B13R1.254 CCS(=O)(=O)NCC1CCCCO1 40a_100000174945_100000053943 [0,1,0,0,0,1|2,0,0]=4 4303 B13R1.254 CCS(=O)(=O)NCC1CCCOC1 270084a_100000720124_100000211323 [0,1,0,0,0,1|2,0,0]=4 4304 B13R1.254 CCS(=O)(=O)NCC1CCCOC1 274078a_100000720124_100000211323 [0,1,0,0,0,1|2,0,0]=4 4305 B13R1.254 CCS(=O)(=O)NCC1CCCOC1 40a_100000720124_100000053943 [0,1,0,0,0,1|2,0,0]=4 4306 B13R1.254 CCS(=O)(=O)NC[C@H]1COCCO1 270084a_100010981119_100000211323 [0,1,0,0,0,1|2,0,0]=4 4307 B13R1.254 CCS(=O)(=O)NC[C@H]1COCCO1 274078a_100010981119_100000211323 [0,1,0,0,0,1|2,0,0]=4 4308 B13R1.254 CCS(=O)(=O)NC[C@H]1COCCO1 40a_100010981119_100000053943 [0,1,0,0,0,1|2,0,0]=4 4309 B13R1.351 C=C(C)C(=O)CCC1OCCCO1 1458a_100000185857_100000764188 [0,1,0,0,0,1|1,0,1]=4 4310 B13R1.351 C=C(C)C(=O)NCC1CCCCO1 11a_100000174945_100000185857 [0,1,0,0,0,1|1,0,1]=4 4311 B13R1.351 C=C(C)C(=O)NCC1CCCCO1 1626a_100000174945_100000185857 [0,1,0,0,0,1|1,0,1]=4 4312 B13R1.351 C=C(C)C(=O)NCC1CCCOC1 11a_100000720124_100000185857 [0,1,0,0,0,1|1,0,1]=4 4313 B13R1.351 C=C(C)C(=O)NCC1CCCOC1 1626a_100000720124_100000185857 [0,1,0,0,0,1|1,0,1]=4 4314 B13R1.351 C=C(C)C(=O)NC[C@H]1COCCO1 11a_100010981119_100000185857 [0,1,0,0,0,1|1,0,1]=4 4315 B13R1.351 C=C(C)C(=O)NC[C@H]1COCCO1 1626a_100010981119_100000185857 [0,1,0,0,0,1|1,0,1]=4 4316 B13R1.351 CC(C)C(=O)CCC1CCCCC1 1458a_100000210198_100011273959 [0,1,0,0,0,1|2,0,0]=4 4317 B13R1.351 CC(C)C(=O)CCC1CCCCC1 1458a_100000211375_100000210206 [0,1,0,0,0,1|2,0,0]=4 4318 B13R1.351 CC(C)C(=O)CCC1CCOCC1 1458a_100000210198_100011934994 [0,1,0,0,0,1|2,0,0]=4 4319 B13R1.351 CC(C)C(=O)CCC1OCCCO1 1458a_100000210198_100000764188 [0,1,0,0,0,1|1,0,0]=3 4320 B13R1.351 CC(C)C(=O)CCN1CCCCO1 1458a_200015184090_100000210206 [0,1,0,0,0,1|2,0,0]=4 4321 B13R1.351 CC(C)C(=O)CNC1CCCOC1 2230a_100000719290_100000753385 [0,1,0,0,0,1|2,0,0]=4 4322 B13R1.351 CC(C)C(=O)CNC1CCCOC1 34a_100000719290_100000753385 [0,1,0,0,0,1|2,0,0]=4 4323 B13R1.351 CC(C)C(=O)COC1CCCCO1 34a_100000033831_100000753385 [0,1,0,0,0,1|2,0,0]=4 4324 B13R1.351 CC(C)C(=O)COC1CCCOC1 34a_100000754041_100000753385 [0,1,0,0,0,1|2,0,0]=4 4325 B13R1.351 CC(C)C(=O)CSC1CCCOC1 62a_100000753385_100000693364 [0,1,0,0,0,1|2,0,0]=4 4326 B13R1.351 CC(C)C(=O)NCC1CCCCC1 11a_100000210473_100000210198 [0,1,0,0,0,1|2,0,0]=4 4327 B13R1.351 CC(C)C(=O)NCC1CCCCC1 1626a_100000210473_100000210198 [0,1,0,0,0,1|2,0,0]=4 4328 B13R1.351 CC(C)C(=O)NCC1CCCCC1 240690a_100000210473_100000210198 [0,1,0,0,0,1|2,0,0]=4 4329 B13R1.351 CC(C)C(=O)NCC1CCCCC1 527a_100000210473_100000210198 [0,1,0,0,0,1|2,0,0]=4 4330 B13R1.351 CC(C)C(=O)NCC1CCCCO1 11a_100000174945_100000210198 [0,1,0,0,0,1|1,0,0]=3 4331 B13R1.351 CC(C)C(=O)NCC1CCCCO1 1626a_100000174945_100000210198 [0,1,0,0,0,1|1,0,0]=3 4332 B13R1.351 CC(C)C(=O)NCC1CCCCO1 240690a_100000174945_100000210198 [0,1,0,0,0,1|1,0,0]=3 4333 B13R1.351 CC(C)C(=O)NCC1CCCCO1 527a_100000174945_100000210198 [0,1,0,0,0,1|1,0,0]=3 4334 B13R1.351 CC(C)C(=O)NCC1CCCOC1 11a_100000720124_100000210198 [0,1,0,0,0,1|1,0,0]=3 4335 B13R1.351 CC(C)C(=O)NCC1CCCOC1 1626a_100000720124_100000210198 [0,1,0,0,0,1|1,0,0]=3 4336 B13R1.351 CC(C)C(=O)NCC1CCCOC1 240690a_100000720124_100000210198 [0,1,0,0,0,1|1,0,0]=3 4337 B13R1.351 CC(C)C(=O)NCC1CCCOC1 527a_100000720124_100000210198 [0,1,0,0,0,1|1,0,0]=3 4338 B13R1.351 CC(C)C(=O)NCC1CCOCC1 11a_100000746373_100000210198 [0,1,0,0,0,1|2,0,0]=4 4339 B13R1.351 CC(C)C(=O)NCC1CCOCC1 1626a_100000746373_100000210198 [0,1,0,0,0,1|2,0,0]=4 4340 B13R1.351 CC(C)C(=O)NCC1CCOCC1 240690a_100000746373_100000210198 [0,1,0,0,0,1|2,0,0]=4 4341 B13R1.351 CC(C)C(=O)NCC1CCOCC1 527a_100000746373_100000210198 [0,1,0,0,0,1|2,0,0]=4 4342 B13R1.351 CC(C)C(=O)NCC1CCSCC1 11a_100015188806_100000210198 [0,1,0,0,0,1|2,0,0]=4 4343 B13R1.351 CC(C)C(=O)NCC1CCSCC1 240690a_100015188806_100000210198 [0,1,0,0,0,1|2,0,0]=4 4344 B13R1.351 CC(C)C(=O)NCC1CCSCC1 527a_100015188806_100000210198 [0,1,0,0,0,1|2,0,0]=4 4345 B13R1.351 CC(C)C(=O)NC[C@H]1COCCO1 11a_100010981119_100000210198 [0,1,0,0,0,1|1,0,0]=3 4346 B13R1.351 CC(C)C(=O)NC[C@H]1COCCO1 1626a_100010981119_100000210198 [0,1,0,0,0,1|1,0,0]=3 4347 B13R1.351 CC(C)C(=O)NC[C@H]1COCCO1 240690a_100010981119_100000210198 [0,1,0,0,0,1|1,0,0]=3 4348 B13R1.351 CC(C)C(=O)NC[C@H]1COCCO1 527a_100010981119_100000210198 [0,1,0,0,0,1|1,0,0]=3 4349 B13R1.351 CC(C)C(C)OCC1CCCCO1 7a_100000748068_100000211543 [0,1,0,0,0,1|1,0,1]=4 4350 B13R1.351 CC(C)C(C)OCC1CCCOC1 7a_100000748068_100000741521 [0,1,0,0,0,1|1,0,1]=4 4351 B13R1.351 CC(F)C(=O)CCC1CCCCC1 1458a_100000062450_100011273959 [0,1,0,0,0,1|2,0,0]=4 4352 B13R1.351 CC(F)C(=O)CCC1CCOCC1 1458a_100000062450_100011934994 [0,1,0,0,0,1|2,0,0]=4 4353 B13R1.351 CC(F)C(=O)CCC1OCCCO1 1458a_100000062450_100000764188 [0,1,0,0,0,1|1,0,0]=3 4354 B13R1.351 CC(F)C(=O)NCC1CCCCC1 11a_100000210473_100000062450 [0,1,0,0,0,1|2,0,0]=4 4355 B13R1.351 CC(F)C(=O)NCC1CCCCC1 1626a_100000210473_100000062450 [0,1,0,0,0,1|2,0,0]=4 4356 B13R1.351 CC(F)C(=O)NCC1CCCCC1 240690a_100000210473_100000062450 [0,1,0,0,0,1|2,0,0]=4 4357 B13R1.351 CC(F)C(=O)NCC1CCCCC1 527a_100000210473_100000062450 [0,1,0,0,0,1|2,0,0]=4 4358 B13R1.351 CC(F)C(=O)NCC1CCCCO1 11a_100000174945_100000062450 [0,1,0,0,0,1|1,0,0]=3 4359 B13R1.351 CC(F)C(=O)NCC1CCCCO1 1626a_100000174945_100000062450 [0,1,0,0,0,1|1,0,0]=3 4360 B13R1.351 CC(F)C(=O)NCC1CCCCO1 240690a_100000174945_100000062450 [0,1,0,0,0,1|1,0,0]=3 4361 B13R1.351 CC(F)C(=O)NCC1CCCCO1 527a_100000174945_100000062450 [0,1,0,0,0,1|1,0,0]=3 4362 B13R1.351 CC(F)C(=O)NCC1CCCOC1 11a_100000720124_100000062450 [0,1,0,0,0,1|1,0,0]=3 4363 B13R1.351 CC(F)C(=O)NCC1CCCOC1 1626a_100000720124_100000062450 [0,1,0,0,0,1|1,0,0]=3 4364 B13R1.351 CC(F)C(=O)NCC1CCCOC1 240690a_100000720124_100000062450 [0,1,0,0,0,1|1,0,0]=3 4365 B13R1.351 CC(F)C(=O)NCC1CCCOC1 527a_100000720124_100000062450 [0,1,0,0,0,1|1,0,0]=3 4366 B13R1.351 CC(F)C(=O)NCC1CCOCC1 11a_100000746373_100000062450 [0,1,0,0,0,1|2,0,0]=4 4367 B13R1.351 CC(F)C(=O)NCC1CCOCC1 1626a_100000746373_100000062450 [0,1,0,0,0,1|2,0,0]=4 4368 B13R1.351 CC(F)C(=O)NCC1CCOCC1 240690a_100000746373_100000062450 [0,1,0,0,0,1|2,0,0]=4 4369 B13R1.351 CC(F)C(=O)NCC1CCOCC1 527a_100000746373_100000062450 [0,1,0,0,0,1|2,0,0]=4 4370 B13R1.351 CC(F)C(=O)NCC1CCSCC1 11a_100015188806_100000062450 [0,1,0,0,0,1|2,0,0]=4 4371 B13R1.351 CC(F)C(=O)NCC1CCSCC1 240690a_100015188806_100000062450 [0,1,0,0,0,1|2,0,0]=4 4372 B13R1.351 CC(F)C(=O)NCC1CCSCC1 527a_100015188806_100000062450 [0,1,0,0,0,1|2,0,0]=4 4373 B13R1.351 CC(F)C(=O)NC[C@H]1COCCO1 11a_100010981119_100000062450 [0,1,0,0,0,1|1,0,0]=3 4374 B13R1.351 CC(F)C(=O)NC[C@H]1COCCO1 1626a_100010981119_100000062450 [0,1,0,0,0,1|1,0,0]=3 4375 B13R1.351 CC(F)C(=O)NC[C@H]1COCCO1 240690a_100010981119_100000062450 [0,1,0,0,0,1|1,0,0]=3 4376 B13R1.351 CC(F)C(=O)NC[C@H]1COCCO1 527a_100010981119_100000062450 [0,1,0,0,0,1|1,0,0]=3 4377 B13R1.351 CN(C)C(=O)NCC1CCCCO1 2708a_100000174945_100102631434 [0,1,0,0,0,1|2,0,0]=4 4378 B13R1.351 CN(C)C(=O)NCC1CCCOC1 2708a_100000720124_100102631434 [0,1,0,0,0,1|2,0,0]=4 4379 B13R1.351 CN(C)C(=O)NC[C@H]1COCCO1 2708a_100010981119_100102631434 [0,1,0,0,0,1|2,0,0]=4 4380 B13R1.351 C[C@@H](O)C(=O)CCC1CCCCC1 1458a_100000717761_100011273959 [0,1,0,0,0,1|2,0,0]=4 4381 B13R1.351 C[C@@H](O)C(=O)CCC1CCOCC1 1458a_100000717761_100011934994 [0,1,0,0,0,1|2,0,0]=4 4382 B13R1.351 C[C@@H](O)C(=O)CCC1OCCCO1 1458a_100000717761_100000764188 [0,1,0,0,0,1|1,0,0]=3 4383 B13R1.351 C[C@@H](O)C(=O)NCC1CCCCC1 240690a_100000210473_100000717761 [0,1,0,0,0,1|2,0,0]=4 4384 B13R1.351 C[C@@H](O)C(=O)NCC1CCCCO1 240690a_100000174945_100000717761 [0,1,0,0,0,1|1,0,0]=3 4385 B13R1.351 C[C@@H](O)C(=O)NCC1CCCOC1 240690a_100000720124_100000717761 [0,1,0,0,0,1|1,0,0]=3 4386 B13R1.351 C[C@@H](O)C(=O)NCC1CCOCC1 240690a_100000746373_100000717761 [0,1,0,0,0,1|2,0,0]=4 4387 B13R1.351 C[C@@H](O)C(=O)NCC1CCSCC1 240690a_100015188806_100000717761 [0,1,0,0,0,1|2,0,0]=4 4388 B13R1.351 C[C@@H](O)C(=O)NC[C@H]1COCCO1 240690a_100010981119_100000717761 [0,1,0,0,0,1|1,0,0]=3 4389 B13R1.351 C[C@H](O)C(=O)CCC1CCCCC1 1458a_217856618621_100011273959 [0,1,0,0,0,1|2,0,0]=4 4390 B13R1.351 C[C@H](O)C(=O)CCC1CCOCC1 1458a_217856618621_100011934994 [0,1,0,0,0,1|2,0,0]=4 4391 B13R1.351 C[C@H](O)C(=O)CCC1OCCCO1 1458a_217856618621_100000764188 [0,1,0,0,0,1|1,0,0]=3 4392 B13R1.351 C[C@H](O)C(=O)NCC1CCCCC1 1626a_100000210473_217856618621 [0,1,0,0,0,1|2,0,0]=4 4393 B13R1.351 C[C@H](O)C(=O)NCC1CCCCC1 240690a_100000210473_217856618621 [0,1,0,0,0,1|2,0,0]=4 4394 B13R1.351 C[C@H](O)C(=O)NCC1CCCCO1 1626a_100000174945_217856618621 [0,1,0,0,0,1|1,0,0]=3 4395 B13R1.351 C[C@H](O)C(=O)NCC1CCCCO1 240690a_100000174945_217856618621 [0,1,0,0,0,1|1,0,0]=3 4396 B13R1.351 C[C@H](O)C(=O)NCC1CCCOC1 1626a_100000720124_217856618621 [0,1,0,0,0,1|1,0,0]=3 4397 B13R1.351 C[C@H](O)C(=O)NCC1CCCOC1 240690a_100000720124_217856618621 [0,1,0,0,0,1|1,0,0]=3 4398 B13R1.351 C[C@H](O)C(=O)NCC1CCOCC1 1626a_100000746373_217856618621 [0,1,0,0,0,1|2,0,0]=4 4399 B13R1.351 C[C@H](O)C(=O)NCC1CCOCC1 240690a_100000746373_217856618621 [0,1,0,0,0,1|2,0,0]=4 4400 B13R1.351 C[C@H](O)C(=O)NCC1CCSCC1 240690a_100015188806_217856618621 [0,1,0,0,0,1|2,0,0]=4 4401 B13R1.351 C[C@H](O)C(=O)NC[C@H]1COCCO1 1626a_100010981119_217856618621 [0,1,0,0,0,1|1,0,0]=3 4402 B13R1.351 C[C@H](O)C(=O)NC[C@H]1COCCO1 240690a_100010981119_217856618621 [0,1,0,0,0,1|1,0,0]=3 4403 B13R1.351 O=C(CCC1OCCCO1)C(O)O 1458a_100000233687_100000764188 [0,1,0,0,0,1|2,0,0]=4 4404 B13R1.351 O=C(NCC1CCCCO1)C(F)F 11a_100000174945_100000210393 [0,1,0,0,0,1|2,0,0]=4 4405 B13R1.351 O=C(NCC1CCCCO1)C(F)F 1626a_100000174945_100000210393 [0,1,0,0,0,1|2,0,0]=4 4406 B13R1.351 O=C(NCC1CCCCO1)C(F)F 240690a_100000174945_100000210393 [0,1,0,0,0,1|2,0,0]=4 4407 B13R1.351 O=C(NCC1CCCCO1)C(F)F 527a_100000174945_100000210393 [0,1,0,0,0,1|2,0,0]=4 4408 B13R1.351 O=C(NCC1CCCCO1)C(O)O 240690a_100000174945_100000233687 [0,1,0,0,0,1|2,0,0]=4 4409 B13R1.351 O=C(NCC1CCCOC1)C(F)F 11a_100000720124_100000210393 [0,1,0,0,0,1|2,0,0]=4 4410 B13R1.351 O=C(NCC1CCCOC1)C(F)F 1626a_100000720124_100000210393 [0,1,0,0,0,1|2,0,0]=4 4411 B13R1.351 O=C(NCC1CCCOC1)C(F)F 240690a_100000720124_100000210393 [0,1,0,0,0,1|2,0,0]=4 4412 B13R1.351 O=C(NCC1CCCOC1)C(F)F 527a_100000720124_100000210393 [0,1,0,0,0,1|2,0,0]=4 4413 B13R1.351 O=C(NCC1CCCOC1)C(O)O 240690a_100000720124_100000233687 [0,1,0,0,0,1|2,0,0]=4 4414 B13R1.351 O=C(NC[C@H]1COCCO1)C(F)F 11a_100010981119_100000210393 [0,1,0,0,0,1|2,0,0]=4 4415 B13R1.351 O=C(NC[C@H]1COCCO1)C(F)F 1626a_100010981119_100000210393 [0,1,0,0,0,1|2,0,0]=4 4416 B13R1.351 O=C(NC[C@H]1COCCO1)C(F)F 240690a_100010981119_100000210393 [0,1,0,0,0,1|2,0,0]=4 4417 B13R1.351 O=C(NC[C@H]1COCCO1)C(F)F 527a_100010981119_100000210393 [0,1,0,0,0,1|2,0,0]=4 4418 B13R1.351 O=C(NC[C@H]1COCCO1)C(O)O 240690a_100010981119_100000233687 [0,1,0,0,0,1|2,0,0]=4 4419 B13R1.417 C#CC(CC)OCC1CCCCO1 34a_100000758843_100000211543 [0,1,0,0,0,1|1,0,1]=4 4420 B13R1.417 C#CC(CC)OCC1CCCCO1 7a_100000758843_100000211543 [0,1,0,0,0,1|1,0,1]=4 4421 B13R1.417 C#CC(CC)OCC1CCCOC1 34a_100000758843_100000741521 [0,1,0,0,0,1|1,0,1]=4 4422 B13R1.417 C#CC(CC)OCC1CCCOC1 7a_100000758843_100000741521 [0,1,0,0,0,1|1,0,1]=4 4423 B13R1.417 C=CC(CC)OCC1CCCCO1 34a_100000766422_100000211543 [0,1,0,0,0,1|1,0,1]=4 4424 B13R1.417 C=CC(CC)OCC1CCCCO1 7a_100000766422_100000211543 [0,1,0,0,0,1|1,0,1]=4 4425 B13R1.417 C=CC(CC)OCC1CCCOC1 34a_100000766422_100000741521 [0,1,0,0,0,1|1,0,1]=4 4426 B13R1.417 C=CC(CC)OCC1CCCOC1 7a_100000766422_100000741521 [0,1,0,0,0,1|1,0,1]=4 4427 B13R1.417 CCC(CC)OCC1CCCCO1 7a_100000211370_100000210505 [0,1,0,0,0,1|1,0,1]=4 4428 B13R1.417 CCC(CC)OCC1CCCCO1 7a_100000688536_100000211543 [0,1,0,0,0,1|1,0,1]=4 4429 B13R1.417 CCC(CC)OCC1CCCOC1 7a_100000688536_100000741521 [0,1,0,0,0,1|1,0,1]=4 4430 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [0,1,0,0,0,1|2,0,0]=4 4431 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [0,1,0,0,0,1|2,0,0]=4 4432 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [0,1,0,0,0,1|2,0,0]=4 4433 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [0,1,0,0,0,1|2,0,0]=4 4434 B13R1.528 CCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210414 [0,1,0,0,0,1|2,0,0]=4 4435 B13R1.528 CCC(=O)NCC1CCCCN1C 527a_100011228421_100000210414 [0,1,0,0,0,1|2,0,0]=4 4436 B13R1.528 CCC(C)OCC1COCCC1N 34a_214813039666_100011215416 [0,1,0,0,0,1|1,0,1]=4 4437 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 11a_100000706052_100000210414 [0,1,0,0,0,1|2,0,0]=4 4438 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 1626a_100000706052_100000210414 [0,1,0,0,0,1|2,0,0]=4 4439 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 240690a_100000706052_100000210414 [0,1,0,0,0,1|2,0,0]=4 4440 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 527a_100000706052_100000210414 [0,1,0,0,0,1|2,0,0]=4 4441 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 11a_100000748649_100000210414 [0,1,0,0,0,1|2,0,0]=4 4442 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000210414 [0,1,0,0,0,1|2,0,0]=4 4443 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 240690a_100000748649_100000210414 [0,1,0,0,0,1|2,0,0]=4 4444 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 527a_100000748649_100000210414 [0,1,0,0,0,1|2,0,0]=4 4445 B13R1.2045 CCC(=O)NCC1(CCOCC1)C 11a_100000695556_100000210414 [0,1,0,0,0,1|2,0,0]=4 4446 B13R1.2045 CCC(=O)NCC1(CCOCC1)C 1626a_100000695556_100000210414 [0,1,0,0,0,1|2,0,0]=4 4447 B13R1.2045 CCC(=O)NCC1(CCOCC1)C 240690a_100000695556_100000210414 [0,1,0,0,0,1|2,0,0]=4 4448 B13R1.2045 CCC(=O)NCC1(CCOCC1)C 527a_100000695556_100000210414 [0,1,0,0,0,1|2,0,0]=4 4449 B13R1.2045 CCC(=O)NCC1(CCOCC1)F 11a_100016991512_100000210414 [0,1,0,0,0,1|2,0,0]=4 4450 B13R1.2045 CCC(=O)NCC1(CCOCC1)F 1626a_100016991512_100000210414 [0,1,0,0,0,1|2,0,0]=4 4451 B13R1.2045 CCC(=O)NCC1(CCOCC1)F 240690a_100016991512_100000210414 [0,1,0,0,0,1|2,0,0]=4 4452 B13R1.2045 CCC(=O)NCC1(CCOCC1)F 527a_100016991512_100000210414 [0,1,0,0,0,1|2,0,0]=4 4453 B13R1.2045 CCC(=O)NCC1(CCOCC1)O 11a_100000704115_100000210414 [0,1,0,0,0,1|2,0,0]=4 4454 B13R1.2045 CCC(=O)NCC1(CCOCC1)O 240690a_100000704115_100000210414 [0,1,0,0,0,1|2,0,0]=4 4455 B13R1.2045 CCC(=O)NCC1(CCOCC1)O 527a_100000704115_100000210414 [0,1,0,0,0,1|2,0,0]=4 4456 B13R1.2045 CCC(=O)NCC1(CCSCC1)O 11a_100000758141_100000210414 [0,1,0,0,0,1|2,0,0]=4 4457 B13R1.2045 CCC(=O)NCC1(CCSCC1)O 240690a_100000758141_100000210414 [0,1,0,0,0,1|2,0,0]=4 4458 B13R1.2045 CCC(=O)NCC1(CCSCC1)O 527a_100000758141_100000210414 [0,1,0,0,0,1|2,0,0]=4 4459 B13R1.162 CCC(=O)COC(C)C1CCCC1 7a_100011216366_100000747405 [0,1,0,0,0,1|1,0,0]=3 4460 B13R1.162 CCC(=O)NCC(=O)C1CCCC1 1458a_100000194589_100000179811 [0,1,0,0,0,1|2,0,0]=4 4461 B13R1.162 CCC(=O)NNC(=O)C1CCCO1 22a_100000189947_100000210414 [0,1,0,0,0,1|1,0,1]=4 4462 B13R1.162 CCC(=O)NNC(=O)[C@@H]1CCCO1 22a_100000183195_100000686382 [0,1,0,0,0,1|1,0,1]=4 4463 B13R1.162 CNC(=O)CNC(C)C1CCCO1 2230a_100025754208_100000183359 [0,1,0,0,0,1|2,0,0]=4 4464 B13R1.162 CNC(=O)CNC(C)C1CCCO1 34a_100025754208_100000183359 [0,1,0,0,0,1|2,0,0]=4 4465 B13R1.162 CNC(=O)COC(C)C1CCCC1 34a_100011216366_100000183359 [0,1,0,0,0,1|2,0,0]=4 4466 B13R1.162 CNC(=O)COC(C)C1CCCC1 7a_100011216366_100000183359 [0,1,0,0,0,1|2,0,0]=4 4467 B13R1.162 COC(=O)CNC(C)C1CCCO1 2230a_100025754208_100000747449 [0,1,0,0,0,1|2,0,0]=4 4468 B13R1.162 COC(=O)CNC(C)C1CCCO1 34a_100025754208_100000747449 [0,1,0,0,0,1|2,0,0]=4 4469 B13R1.162 COC(=O)COC(C)C1CCCC1 34a_100011216366_100000747449 [0,1,0,0,0,1|2,0,0]=4 4470 B13R1.162 COC(=O)COC(C)C1CCCC1 7a_100011216366_100000747449 [0,1,0,0,0,1|2,0,0]=4 4471 B13R1.252 CCC(C)(C)COCC1CCCO1 7a_100000765029_100000203698 [0,1,0,0,0,1|1,0,1]=4 4472 B13R1.252 CCS(=O)(=O)CCOC1CCCO1 34a_100000085407_100000756660 [0,1,0,0,0,1|2,0,0]=4 4473 B13R1.404 C#CCC(=O)COCC1CCCO1 1458a_100011223388_100000184674 [0,1,0,0,0,1|0,0,1]=3 4474 B13R1.404 C#CCC(=O)CSCC1CCCO1 1458a_100000217298_100000184674 [0,1,0,0,0,1|0,1,1]=4 4475 B13R1.404 C=CCC(=O)COCC1CCCO1 1458a_100011223388_100000210623 [0,1,0,0,0,1|0,0,1]=3 4476 B13R1.404 C=CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210623 [0,1,0,0,0,1|0,1,1]=4 4477 B13R1.404 C=COC(=O)COCC1CCCO1 34a_100000210270_100000036128 [0,1,0,0,0,1|0,0,2]=4 4478 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [0,1,0,0,0,1|2,0,0]=4 4479 B13R1.404 CCCC(=O)CCCC1OCCO1 1458a_100000211992_100000042513 [0,1,0,0,0,1|2,0,0]=4 4480 B13R1.404 CCCC(=O)CNCC1CCCC1 2230a_100000737975_100000747444 [0,1,0,0,0,1|2,0,0]=4 4481 B13R1.404 CCCC(=O)CNCC1OCCO1 2230a_100000036311_100000747444 [0,1,0,0,0,1|2,0,0]=4 4482 B13R1.404 CCCC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747444 [0,1,0,0,0,1|1,0,0]=3 4483 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [0,1,0,0,0,1|1,0,0]=3 4484 B13R1.404 CCCC(=O)COCC1CCCO1 1458a_100011223388_100000210303 [0,1,0,0,0,1|0,0,0]=2 4485 B13R1.404 CCCC(=O)COCC1CCCO1 7a_100000210270_100000747444 [0,1,0,0,0,1|0,0,0]=2 4486 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000740388_100000747444 [0,1,0,0,0,1|1,1,0]=4 4487 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000747444_100000740388 [0,1,0,0,0,1|1,1,0]=4 4488 B13R1.404 CCCC(=O)CSCC1CCCO1 1458a_100000217298_100000210303 [0,1,0,0,0,1|0,1,0]=3 4489 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000203698_100000747444 [0,1,0,0,0,1|0,1,0]=3 4490 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000747444_100000203698 [0,1,0,0,0,1|0,1,0]=3 4491 B13R1.404 CCCC(=O)CSCC1OCCO1 62a_100000747444_100000755774 [0,1,0,0,0,1|1,1,0]=4 4492 B13R1.404 CCCC(=O)CSCC1OCCO1 62a_100000755774_100000747444 [0,1,0,0,0,1|1,1,0]=4 4493 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [0,1,0,0,0,1|2,0,0]=4 4494 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [0,1,0,0,0,1|2,0,0]=4 4495 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [0,1,0,0,0,1|2,0,0]=4 4496 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [0,1,0,0,0,1|2,0,0]=4 4497 B13R1.404 CCCC(=O)NCCC1OCCO1 11a_100000034215_100000211992 [0,1,0,0,0,1|2,0,0]=4 4498 B13R1.404 CCCC(=O)NCCC1OCCO1 1626a_100000034215_100000211992 [0,1,0,0,0,1|2,0,0]=4 4499 B13R1.404 CCCC(=O)NCCC1OCCO1 240690a_100000034215_100000211992 [0,1,0,0,0,1|2,0,0]=4 4500 B13R1.404 CCCC(=O)NCCC1OCCO1 527a_100000034215_100000211992 [0,1,0,0,0,1|2,0,0]=4 4501 B13R1.404 CCCC(=O)OCNC1CCCC1 2230a_100000211070_100000034017 [0,1,0,0,0,1|1,0,0]=3 4502 B13R1.404 CCCC(=O)OCNC1CCCC1 34a_100000211070_100000034017 [0,1,0,0,0,1|1,0,0]=3 4503 B13R1.404 CCCC(=O)OCN[C@@H]1CCOC1 2230a_200015188469_100000034017 [0,1,0,0,0,1|2,0,0]=4 4504 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 2230a_100015188467_100000034017 [0,1,0,0,0,1|2,0,0]=4 4505 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 34a_100015188467_100000034017 [0,1,0,0,0,1|2,0,0]=4 4506 B13R1.404 CCCC(=O)OCOC1CCCC1 34a_100000210269_100000034017 [0,1,0,0,0,1|1,0,0]=3 4507 B13R1.404 CCCC(=O)OCOC1CCCO1 34a_100000085407_100000034017 [0,1,0,0,0,1|0,0,0]=2 4508 B13R1.404 CCCC(=O)OCO[C@H]1CCOC1 34a_100000717292_100000034017 [0,1,0,0,0,1|2,0,0]=4 4509 B13R1.404 CCCC(=O)OCSC1CCCC1 62a_100011217020_100000034017 [0,1,0,0,0,1|1,0,0]=3 4510 B13R1.404 CCCC(C)COCC1CCCO1 34a_100000210270_100011216630 [0,1,0,0,0,1|1,0,1]=4 4511 B13R1.404 CCCC(C)COCC1CCCO1 7a_100000210270_100011216630 [0,1,0,0,0,1|1,0,1]=4 4512 B13R1.404 CCCC(C)COCC1CCCO1 7a_100000688023_100000203698 [0,1,0,0,0,1|1,0,1]=4 4513 B13R1.404 CCNC(=O)CCNC1CCCC1 2230a_100000211070_100000737597 [0,1,0,0,0,1|2,0,0]=4 4514 B13R1.404 CCNC(=O)CCNC1CCCC1 270004a_100025743525_100000210133 [0,1,0,0,0,1|2,0,0]=4 4515 B13R1.404 CCNC(=O)CCNC1CCCC1 34a_100025743525_100000179811 [0,1,0,0,0,1|2,0,0]=4 4516 B13R1.404 CCNC(=O)CCOC1CCCC1 7a_100000210269_100000737597 [0,1,0,0,0,1|2,0,0]=4 4517 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100000737597_100000179811 [0,1,0,0,0,1|2,0,0]=4 4518 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100011217020_100000737597 [0,1,0,0,0,1|2,0,0]=4 4519 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100000737975_100000183381 [0,1,0,0,0,1|2,0,0]=4 4520 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100016988866_100000740388 [0,1,0,0,0,1|2,0,0]=4 4521 B13R1.404 CCNC(=O)CNCC1CCCC1 34a_100000737975_100000183381 [0,1,0,0,0,1|2,0,0]=4 4522 B13R1.404 CCNC(=O)CNCC1CCCO1 2230a_100016988866_100000203698 [0,1,0,0,0,1|1,0,0]=3 4523 B13R1.404 CCNC(=O)CNCC1OCCO1 2230a_100000036311_100000183381 [0,1,0,0,0,1|2,0,0]=4 4524 B13R1.404 CCNC(=O)CNCC1OCCO1 2230a_100016988866_100000755774 [0,1,0,0,0,1|2,0,0]=4 4525 B13R1.404 CCNC(=O)CNCC1OCCO1 34a_100000036311_100000183381 [0,1,0,0,0,1|2,0,0]=4 4526 B13R1.404 CCNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183381 [0,1,0,0,0,1|1,0,0]=3 4527 B13R1.404 CCNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183381 [0,1,0,0,0,1|1,0,0]=3 4528 B13R1.404 CCNC(=O)COCC1CCCC1 34a_100000742336_100000183381 [0,1,0,0,0,1|1,0,0]=3 4529 B13R1.404 CCNC(=O)COCC1CCCC1 7a_100000742336_100000183381 [0,1,0,0,0,1|1,0,0]=3 4530 B13R1.404 CCNC(=O)COCC1CCCO1 11a_100015525214_100011223388 [0,1,0,0,0,1|0,0,0]=2 4531 B13R1.404 CCNC(=O)COCC1CCCO1 240690a_100015525214_100011223388 [0,1,0,0,0,1|0,0,0]=2 4532 B13R1.404 CCNC(=O)COCC1CCCO1 34a_100000210270_100000183381 [0,1,0,0,0,1|0,0,0]=2 4533 B13R1.404 CCNC(=O)COCC1CCCO1 527a_100015525214_100011223388 [0,1,0,0,0,1|0,0,0]=2 4534 B13R1.404 CCNC(=O)COCC1CCCO1 7a_100000210270_100000183381 [0,1,0,0,0,1|0,0,0]=2 4535 B13R1.404 CCNC(=O)COCC1CCNC1 34a_100000748654_100000183381 [0,1,0,0,0,1|2,0,0]=4 4536 B13R1.404 CCNC(=O)COCC1CCOC1 34a_100000740260_100000183381 [0,1,0,0,0,1|2,0,0]=4 4537 B13R1.404 CCNC(=O)COCC1COCO1 34a_100011216627_100000183381 [0,1,0,0,0,1|1,0,0]=3 4538 B13R1.404 CCNC(=O)COCC1OCCO1 34a_100000087154_100000183381 [0,1,0,0,0,1|1,0,0]=3 4539 B13R1.404 CCNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183381 [0,1,0,0,0,1|1,0,0]=3 4540 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000183381_100000740388 [0,1,0,0,0,1|1,1,0]=4 4541 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000740388_100000183381 [0,1,0,0,0,1|1,1,0]=4 4542 B13R1.404 CCNC(=O)CSCC1CCCO1 11a_100015525214_100000217298 [0,1,0,0,0,1|0,1,0]=3 4543 B13R1.404 CCNC(=O)CSCC1CCCO1 240690a_100015525214_100000217298 [0,1,0,0,0,1|0,1,0]=3 4544 B13R1.404 CCNC(=O)CSCC1CCCO1 527a_100015525214_100000217298 [0,1,0,0,0,1|0,1,0]=3 4545 B13R1.404 CCNC(=O)CSCC1CCCO1 62a_100000183381_100000203698 [0,1,0,0,0,1|0,1,0]=3 4546 B13R1.404 CCNC(=O)CSCC1CCCO1 62a_100000203698_100000183381 [0,1,0,0,0,1|0,1,0]=3 4547 B13R1.404 CCNC(=O)CSCC1OCCO1 62a_100000183381_100000755774 [0,1,0,0,0,1|1,1,0]=4 4548 B13R1.404 CCNC(=O)CSCC1OCCO1 62a_100000755774_100000183381 [0,1,0,0,0,1|1,1,0]=4 4549 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [0,1,0,0,0,1|2,0,0]=4 4550 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [0,1,0,0,0,1|2,0,0]=4 4551 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [0,1,0,0,0,1|2,0,0]=4 4552 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [0,1,0,0,0,1|2,0,0]=4 4553 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [0,1,0,0,0,1|2,0,0]=4 4554 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [0,1,0,0,0,1|2,0,0]=4 4555 B13R1.404 CCNC(=O)NCCC1OCCO1 2708a_100000034215_100015525214 [0,1,0,0,0,1|2,0,0]=4 4556 B13R1.404 CCNC(=O)NCCC1OCCO1 2708a_100015525214_100000034215 [0,1,0,0,0,1|2,0,0]=4 4557 B13R1.404 CCNC(=O)NCCC1OCCO1 273464a_100000034215_100015525214 [0,1,0,0,0,1|2,0,0]=4 4558 B13R1.404 CCNC(=O)NCCC1OCCO1 273464a_100015525214_100000034215 [0,1,0,0,0,1|2,0,0]=4 4559 B13R1.404 CCNC(=O)NCCC1OCCO1 512a_100000034215_100015525214 [0,1,0,0,0,1|2,0,0]=4 4560 B13R1.404 CCNC(=O)NCCC1OCCO1 512a_100015525214_100000034215 [0,1,0,0,0,1|2,0,0]=4 4561 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [0,1,0,0,0,1|2,0,0]=4 4562 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [0,1,0,0,0,1|2,0,0]=4 4563 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [0,1,0,0,0,1|2,0,0]=4 4564 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [0,1,0,0,0,1|2,0,0]=4 4565 B13R1.404 CCOC(=O)CCOC1CCCO1 34a_100000085407_100000765890 [0,1,0,0,0,1|1,0,0]=3 4566 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [0,1,0,0,0,1|2,0,0]=4 4567 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [0,1,0,0,0,1|2,0,0]=4 4568 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [0,1,0,0,0,1|2,0,0]=4 4569 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [0,1,0,0,0,1|2,0,0]=4 4570 B13R1.404 CCOC(=O)CNCC1OCCO1 2230a_100000036311_100000188475 [0,1,0,0,0,1|2,0,0]=4 4571 B13R1.404 CCOC(=O)CNCC1OCCO1 34a_100000036311_100000188475 [0,1,0,0,0,1|2,0,0]=4 4572 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000188475 [0,1,0,0,0,1|1,0,0]=3 4573 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000188475 [0,1,0,0,0,1|1,0,0]=3 4574 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [0,1,0,0,0,1|1,0,0]=3 4575 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [0,1,0,0,0,1|1,0,0]=3 4576 B13R1.404 CCOC(=O)COCC1CCCO1 34a_100000210270_100000188475 [0,1,0,0,0,1|0,0,0]=2 4577 B13R1.404 CCOC(=O)COCC1CCCO1 7a_100000210270_100000188475 [0,1,0,0,0,1|0,0,0]=2 4578 B13R1.404 CCOC(=O)COCC1CCNC1 34a_100000748654_100000188475 [0,1,0,0,0,1|2,0,0]=4 4579 B13R1.404 CCOC(=O)COCC1CCOC1 34a_100000740260_100000188475 [0,1,0,0,0,1|2,0,0]=4 4580 B13R1.404 CCOC(=O)COCC1COCO1 34a_100011216627_100000188475 [0,1,0,0,0,1|1,0,0]=3 4581 B13R1.404 CCOC(=O)COCC1OCCO1 34a_100000087154_100000188475 [0,1,0,0,0,1|1,0,0]=3 4582 B13R1.404 CCOC(=O)COC[C@H]1CCCN1 34a_100000745186_100000188475 [0,1,0,0,0,1|1,0,0]=3 4583 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [0,1,0,0,0,1|1,1,0]=4 4584 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [0,1,0,0,0,1|1,1,0]=4 4585 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000188475_100000203698 [0,1,0,0,0,1|0,1,0]=3 4586 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000203698_100000188475 [0,1,0,0,0,1|0,1,0]=3 4587 B13R1.404 CCOC(=O)CSCC1OCCO1 62a_100000188475_100000755774 [0,1,0,0,0,1|1,1,0]=4 4588 B13R1.404 CCOC(=O)CSCC1OCCO1 62a_100000755774_100000188475 [0,1,0,0,0,1|1,1,0]=4 4589 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [0,1,0,0,0,1|1,0,0]=3 4590 B13R1.404 CNNC(=O)COCC1CCCO1 22a_100016993582_100011223388 [0,1,0,0,0,1|1,0,0]=3 4591 B13R1.404 CNNC(=O)CSCC1CCCO1 22a_100016993582_100000217298 [0,1,0,0,0,1|1,1,0]=4 4592 B13R1.404 COCC(=O)CCCC1CCCC1 1458a_100000210968_100011713738 [0,1,0,0,0,1|2,0,0]=4 4593 B13R1.404 COCC(=O)CCCC1OCCO1 1458a_100000210968_100000042513 [0,1,0,0,0,1|2,0,0]=4 4594 B13R1.404 COCC(=O)NCCC1CCCC1 11a_100000739158_100000210968 [0,1,0,0,0,1|2,0,0]=4 4595 B13R1.404 COCC(=O)NCCC1CCCC1 1626a_100000739158_100000210968 [0,1,0,0,0,1|2,0,0]=4 4596 B13R1.404 COCC(=O)NCCC1CCCC1 240690a_100000739158_100000210968 [0,1,0,0,0,1|2,0,0]=4 4597 B13R1.404 COCC(=O)NCCC1CCCC1 527a_100000739158_100000210968 [0,1,0,0,0,1|2,0,0]=4 4598 B13R1.404 COCC(=O)NCCC1OCCO1 11a_100000034215_100000210968 [0,1,0,0,0,1|2,0,0]=4 4599 B13R1.404 COCC(=O)NCCC1OCCO1 1626a_100000034215_100000210968 [0,1,0,0,0,1|2,0,0]=4 4600 B13R1.404 COCC(=O)NCCC1OCCO1 240690a_100000034215_100000210968 [0,1,0,0,0,1|2,0,0]=4 4601 B13R1.404 COCC(=O)NCCC1OCCO1 527a_100000034215_100000210968 [0,1,0,0,0,1|2,0,0]=4 4602 B13R1.404 COCC(O)COCC1CCCO1 34a_100000210270_100011215053 [0,1,0,0,0,1|0,0,2]=4 4603 B13R1.404 COCC(O)COCC1CCCO1 7a_100000210270_100011215053 [0,1,0,0,0,1|0,0,2]=4 4604 B13R1.404 CSCC(=O)CCCC1CCCC1 1458a_100000184570_100011713738 [0,1,0,0,0,1|2,0,0]=4 4605 B13R1.404 CSCC(=O)CCCC1OCCO1 1458a_100000184570_100000042513 [0,1,0,0,0,1|2,0,0]=4 4606 B13R1.404 CSCC(=O)NCCC1CCCC1 11a_100000739158_100000184570 [0,1,0,0,0,1|2,0,0]=4 4607 B13R1.404 CSCC(=O)NCCC1CCCC1 1626a_100000739158_100000184570 [0,1,0,0,0,1|2,0,0]=4 4608 B13R1.404 CSCC(=O)NCCC1CCCC1 240690a_100000739158_100000184570 [0,1,0,0,0,1|2,0,0]=4 4609 B13R1.404 CSCC(=O)NCCC1CCCC1 527a_100000739158_100000184570 [0,1,0,0,0,1|2,0,0]=4 4610 B13R1.404 CSCC(=O)NCCC1OCCO1 11a_100000034215_100000184570 [0,1,0,0,0,1|2,0,0]=4 4611 B13R1.404 CSCC(=O)NCCC1OCCO1 1626a_100000034215_100000184570 [0,1,0,0,0,1|2,0,0]=4 4612 B13R1.404 CSCC(=O)NCCC1OCCO1 240690a_100000034215_100000184570 [0,1,0,0,0,1|2,0,0]=4 4613 B13R1.404 CSCC(=O)NCCC1OCCO1 527a_100000034215_100000184570 [0,1,0,0,0,1|2,0,0]=4 4614 B13R1.404 N#CCC(=O)COCC1CCCO1 1458a_100011223388_100011214920 [0,1,0,0,0,1|0,0,1]=3 4615 B13R1.404 N#CCC(=O)CSCC1CCCO1 1458a_100000217298_100011214920 [0,1,0,0,0,1|0,1,1]=4 4616 B13R1.404 O=C(CCF)COCC1CCCO1 1458a_100011223388_100011217306 [0,1,0,0,0,1|0,0,0]=2 4617 B13R1.404 O=C(CCF)CSCC1CCCO1 1458a_100000217298_100011217306 [0,1,0,0,0,1|0,1,0]=3 4618 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [0,1,0,0,0,1|2,0,0]=4 4619 B13R1.404 O=C(CCO)CCCC1OCCO1 1458a_100011216618_100000042513 [0,1,0,0,0,1|2,0,0]=4 4620 B13R1.404 O=C(CCO)COCC1CCCO1 1458a_100011223388_100000211926 [0,1,0,0,0,1|0,0,0]=2 4621 B13R1.404 O=C(CCO)CSCC1CCCO1 1458a_100000217298_100000211926 [0,1,0,0,0,1|0,1,0]=3 4622 B13R1.404 O=C(CCO)NCCC1CCCC1 240690a_100000739158_100011216618 [0,1,0,0,0,1|2,0,0]=4 4623 B13R1.404 O=C(CCO)NCCC1OCCO1 240690a_100000034215_100011216618 [0,1,0,0,0,1|2,0,0]=4 4624 B13R1.404 O=C(CNC[C@@H]1CCCO1)NCO 2230a_100020590478_100000185155 [0,1,0,0,0,1|2,0,0]=4 4625 B13R1.404 O=C(CNC[C@@H]1CCCO1)NCO 34a_100020590478_100000185155 [0,1,0,0,0,1|2,0,0]=4 4626 B13R1.404 O=C(COCC1CCCC1)NCO 34a_100000742336_100000185155 [0,1,0,0,0,1|2,0,0]=4 4627 B13R1.404 O=C(COCC1CCCC1)NCO 7a_100000742336_100000185155 [0,1,0,0,0,1|2,0,0]=4 4628 B13R1.404 O=C(COCC1CCCO1)NCO 34a_100000210270_100000185155 [0,1,0,0,0,1|1,0,0]=3 4629 B13R1.404 O=C(COCC1CCCO1)NCO 7a_100000210270_100000185155 [0,1,0,0,0,1|1,0,0]=3 4630 B13R1.404 O=C(COCC1COCO1)NCO 34a_100011216627_100000185155 [0,1,0,0,0,1|2,0,0]=4 4631 B13R1.404 O=C(COCC1OCCO1)NCO 34a_100000087154_100000185155 [0,1,0,0,0,1|2,0,0]=4 4632 B13R1.404 O=C(COC[C@H]1CCCN1)NCO 34a_100000745186_100000185155 [0,1,0,0,0,1|2,0,0]=4 4633 B13R1.404 O=C(CSCC1CCCO1)NCO 62a_100000185155_100000203698 [0,1,0,0,0,1|1,1,0]=4 4634 B13R1.404 O=C(CSCC1CCCO1)NCO 62a_100000203698_100000185155 [0,1,0,0,0,1|1,1,0]=4 4635 B13R1.415 CCC(CC)COCC1CCCO1 34a_100000210270_100011215472 [0,1,0,0,0,1|1,0,1]=4 4636 B13R1.415 CCC(CC)COCC1CCCO1 7a_100000210270_100011215472 [0,1,0,0,0,1|1,0,1]=4 4637 B13R1.415 CCC(CC)COCC1CCCO1 7a_100000703878_100000203698 [0,1,0,0,0,1|1,0,1]=4 4638 B13R1.415 CCC(COCC1CCCO1)OC 7a_100011934954_100000203698 [0,1,0,0,0,1|0,0,2]=4 4639 B13R1.415 CCN(CC)COCC1CCCO1 7a_200015374951_100000203698 [0,1,0,0,0,1|2,0,0]=4 4640 B13R1.545 CCC(=CC(=O)CC1CCCO1)C 1458a_100020758463_100000203698 [0,1,0,0,0,1|2,0,0]=4 4641 B13R1.545 CCC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000747405 [0,1,0,0,0,1|2,0,0]=4 4642 B13R1.545 CCC(=O)CN(C)CC1CCCO1 269982a_100102946541_100000747405 [0,1,0,0,0,1|1,0,0]=3 4643 B13R1.545 CCC(=O)CN(C)CC1OCCO1 269982a_200000032744_100000747405 [0,1,0,0,0,1|2,0,0]=4 4644 B13R1.545 CNC(=O)CN(C)CC1CCCO1 2230a_100000189611_100000203698 [0,1,0,0,0,1|2,0,0]=4 4645 B13R1.545 CNC(=O)CN(C)CC1CCCO1 2230a_100102946541_100000183359 [0,1,0,0,0,1|2,0,0]=4 4646 B13R1.545 CNC(=O)CN(C)CC1CCCO1 269982a_100102946541_100000183359 [0,1,0,0,0,1|2,0,0]=4 4647 B13R1.545 CNC(=O)CN(C)CC1CCCO1 34a_100102946541_100000183359 [0,1,0,0,0,1|2,0,0]=4 4648 B13R1.545 COC(=O)CC(=O)CC1CCCO1 1458a_100000211351_100000203698 [0,1,0,0,0,1|2,0,0]=4 4649 B13R1.545 COC(=O)CC(C)OC1CCCO1 34a_100000085407_100009817358 [0,1,0,0,0,1|2,0,0]=4 4650 B13R1.545 COC(=O)CN(C)CC1CCCO1 2230a_100000198492_100000203698 [0,1,0,0,0,1|2,0,0]=4 4651 B13R1.545 COC(=O)CN(C)CC1CCCO1 2230a_100102946541_100000747449 [0,1,0,0,0,1|2,0,0]=4 4652 B13R1.545 COC(=O)CN(C)CC1CCCO1 269982a_100102946541_100000747449 [0,1,0,0,0,1|2,0,0]=4 4653 B13R1.545 COC(=O)CN(C)CC1CCCO1 34a_100102946541_100000747449 [0,1,0,0,0,1|2,0,0]=4 4654 B13R1.554 C=C(COC1CCCO1)C(=O)OC 34a_100000085407_100009813391 [0,1,0,0,0,1|2,0,0]=4 4655 B13R1.554 CC(OCC1CCCO1)C(=O)CF 1458a_100000746140_100015361967 [0,1,0,0,0,1|1,0,0]=3 4656 B13R1.554 CC(SCC1CCCO1)C(=O)CF 1458a_100000217297_100015361967 [0,1,0,0,0,1|1,1,0]=4 4657 B13R1.554 CCC(=O)C(C)NCC1CCCC1 2230a_100000737975_100000742827 [0,1,0,0,0,1|2,0,0]=4 4658 B13R1.554 CCC(=O)C(C)NCC1OCCO1 2230a_100000036311_100000742827 [0,1,0,0,0,1|2,0,0]=4 4659 B13R1.554 CCC(=O)C(C)NC[C@@H]1CCCO1 2230a_100020590478_100000742827 [0,1,0,0,0,1|1,0,0]=3 4660 B13R1.554 CCC(=O)C(C)OCC1CCCC1 7a_100000742336_100000742827 [0,1,0,0,0,1|1,0,0]=3 4661 B13R1.554 CCC(=O)C(C)OCC1CCCO1 1458a_100000746140_100000210202 [0,1,0,0,0,1|0,0,0]=2 4662 B13R1.554 CCC(=O)C(C)OCC1CCCO1 7a_100000210270_100000742827 [0,1,0,0,0,1|0,0,0]=2 4663 B13R1.554 CCC(=O)C(C)SCC1CCCC1 62a_100000740388_100000742827 [0,1,0,0,0,1|1,1,0]=4 4664 B13R1.554 CCC(=O)C(C)SCC1CCCC1 62a_100000742827_100000740388 [0,1,0,0,0,1|1,1,0]=4 4665 B13R1.554 CCC(=O)C(C)SCC1CCCO1 1458a_100000217297_100000210202 [0,1,0,0,0,1|0,1,0]=3 4666 B13R1.554 CCC(=O)C(C)SCC1CCCO1 62a_100000203698_100000742827 [0,1,0,0,0,1|0,1,0]=3 4667 B13R1.554 CCC(=O)C(C)SCC1CCCO1 62a_100000742827_100000203698 [0,1,0,0,0,1|0,1,0]=3 4668 B13R1.554 CCC(=O)C(C)SCC1OCCO1 62a_100000742827_100000755774 [0,1,0,0,0,1|1,1,0]=4 4669 B13R1.554 CCC(=O)C(C)SCC1OCCO1 62a_100000755774_100000742827 [0,1,0,0,0,1|1,1,0]=4 4670 B13R1.554 CCC(C)C(C)OCC1CCCO1 7a_100011215189_100000203698 [0,1,0,0,0,1|1,0,1]=4 4671 B13R1.554 CNC(=O)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100011218921 [0,1,0,0,0,1|2,0,0]=4 4672 B13R1.554 CNC(=O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100011218921 [0,1,0,0,0,1|2,0,0]=4 4673 B13R1.554 CNC(=O)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100011218921 [0,1,0,0,0,1|2,0,0]=4 4674 B13R1.554 CNC(=O)C(C)NC[C@@H]1CCCO1 2230a_100020590478_100000731044 [0,1,0,0,0,1|2,0,0]=4 4675 B13R1.554 CNC(=O)C(C)NC[C@@H]1CCCO1 34a_100020590478_100000731044 [0,1,0,0,0,1|2,0,0]=4 4676 B13R1.554 CNC(=O)C(C)OCC1CCCC1 34a_100000742336_100000731044 [0,1,0,0,0,1|2,0,0]=4 4677 B13R1.554 CNC(=O)C(C)OCC1CCCC1 7a_100000742336_100000209862 [0,1,0,0,0,1|2,0,0]=4 4678 B13R1.554 CNC(=O)C(C)OCC1CCCO1 11a_106832991635_100000746140 [0,1,0,0,0,1|1,0,0]=3 4679 B13R1.554 CNC(=O)C(C)OCC1CCCO1 1626a_100102657272_100000746140 [0,1,0,0,0,1|1,0,0]=3 4680 B13R1.554 CNC(=O)C(C)OCC1CCCO1 240690a_100102657272_100000746140 [0,1,0,0,0,1|1,0,0]=3 4681 B13R1.554 CNC(=O)C(C)OCC1CCCO1 34a_100000210270_100000731044 [0,1,0,0,0,1|1,0,0]=3 4682 B13R1.554 CNC(=O)C(C)OCC1CCCO1 527a_100102657272_100000746140 [0,1,0,0,0,1|1,0,0]=3 4683 B13R1.554 CNC(=O)C(C)OCC1CCCO1 7a_100000210270_100000209862 [0,1,0,0,0,1|1,0,0]=3 4684 B13R1.554 CNC(=O)C(C)OCC1COCO1 34a_100011216627_100000731044 [0,1,0,0,0,1|2,0,0]=4 4685 B13R1.554 CNC(=O)C(C)OCC1OCCO1 34a_100000087154_100000731044 [0,1,0,0,0,1|2,0,0]=4 4686 B13R1.554 CNC(=O)C(C)OC[C@H]1CCCN1 34a_100000745186_100000731044 [0,1,0,0,0,1|2,0,0]=4 4687 B13R1.554 CNC(=O)C(C)SCC1CCCO1 11a_106832991635_100000217297 [0,1,0,0,0,1|1,1,0]=4 4688 B13R1.554 CNC(=O)C(C)SCC1CCCO1 1626a_100102657272_100000217297 [0,1,0,0,0,1|1,1,0]=4 4689 B13R1.554 CNC(=O)C(C)SCC1CCCO1 240690a_100102657272_100000217297 [0,1,0,0,0,1|1,1,0]=4 4690 B13R1.554 CNC(=O)C(C)SCC1CCCO1 527a_100102657272_100000217297 [0,1,0,0,0,1|1,1,0]=4 4691 B13R1.554 CNC(=O)C(C)SCC1CCCO1 62a_100000203698_100000731044 [0,1,0,0,0,1|1,1,0]=4 4692 B13R1.554 CNC(=O)C(C)SCC1CCCO1 62a_100000209862_100000203698 [0,1,0,0,0,1|1,1,0]=4 4693 B13R1.554 CNC(=O)C(F)NC[C@@H]1CCCO1 2230a_100020590478_100009813575 [0,1,0,0,0,1|2,0,0]=4 4694 B13R1.554 CNC(=O)C(F)NC[C@@H]1CCCO1 34a_100020590478_100009813575 [0,1,0,0,0,1|2,0,0]=4 4695 B13R1.554 CNC(=O)C(F)OCC1CCCC1 34a_100000742336_100009813575 [0,1,0,0,0,1|2,0,0]=4 4696 B13R1.554 CNC(=O)C(F)OCC1CCCC1 7a_100000742336_100009813575 [0,1,0,0,0,1|2,0,0]=4 4697 B13R1.554 CNC(=O)C(F)OCC1CCCO1 34a_100000210270_100009813575 [0,1,0,0,0,1|1,0,0]=3 4698 B13R1.554 CNC(=O)C(F)OCC1CCCO1 7a_100000210270_100009813575 [0,1,0,0,0,1|1,0,0]=3 4699 B13R1.554 CNC(=O)C(F)OCC1COCO1 34a_100011216627_100009813575 [0,1,0,0,0,1|2,0,0]=4 4700 B13R1.554 CNC(=O)C(F)OCC1OCCO1 34a_100000087154_100009813575 [0,1,0,0,0,1|2,0,0]=4 4701 B13R1.554 CNC(=O)C(F)OC[C@H]1CCCN1 34a_100000745186_100009813575 [0,1,0,0,0,1|2,0,0]=4 4702 B13R1.554 CNC(=O)C(F)SCC1CCCO1 62a_100000203698_100009813575 [0,1,0,0,0,1|1,1,0]=4 4703 B13R1.554 CNC(=O)C(F)SCC1CCCO1 62a_100009813575_100000203698 [0,1,0,0,0,1|1,1,0]=4 4704 B13R1.554 CNC(=O)[C@@H](C)NCC1CCCO1 2230a_100000684985_100000203698 [0,1,0,0,0,1|2,0,0]=4 4705 B13R1.554 COC(=O)C(=O)COC1CCCO1 34a_100000085407_100011610305 [0,1,0,0,0,1|2,0,0]=4 4706 B13R1.554 COC(=O)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000024059 [0,1,0,0,0,1|2,0,0]=4 4707 B13R1.554 COC(=O)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000024059 [0,1,0,0,0,1|2,0,0]=4 4708 B13R1.554 COC(=O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000024059 [0,1,0,0,0,1|2,0,0]=4 4709 B13R1.554 COC(=O)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100000024059 [0,1,0,0,0,1|2,0,0]=4 4710 B13R1.554 COC(=O)C(C)COC1CCCO1 34a_100000085407_100000698445 [0,1,0,0,0,1|2,0,0]=4 4711 B13R1.554 COC(=O)C(C)NC[C@@H]1CCCO1 2230a_100020590478_100000211248 [0,1,0,0,0,1|2,0,0]=4 4712 B13R1.554 COC(=O)C(C)NC[C@@H]1CCCO1 34a_100020590478_100000211248 [0,1,0,0,0,1|2,0,0]=4 4713 B13R1.554 COC(=O)C(C)OCC1CCCC1 34a_100000742336_100000211248 [0,1,0,0,0,1|2,0,0]=4 4714 B13R1.554 COC(=O)C(C)OCC1CCCC1 34a_100011215400_100000740388 [0,1,0,0,0,1|2,0,0]=4 4715 B13R1.554 COC(=O)C(C)OCC1CCCC1 7a_100000742336_100000211248 [0,1,0,0,0,1|2,0,0]=4 4716 B13R1.554 COC(=O)C(C)OCC1CCCO1 34a_100000210270_100000211248 [0,1,0,0,0,1|1,0,0]=3 4717 B13R1.554 COC(=O)C(C)OCC1CCCO1 7a_100000210270_100000211248 [0,1,0,0,0,1|1,0,0]=3 4718 B13R1.554 COC(=O)C(C)OCC1COCO1 34a_100011216627_100000211248 [0,1,0,0,0,1|2,0,0]=4 4719 B13R1.554 COC(=O)C(C)OCC1OCCO1 34a_100000087154_100000211248 [0,1,0,0,0,1|2,0,0]=4 4720 B13R1.554 COC(=O)C(C)OCC1OCCO1 34a_100011215400_100000755774 [0,1,0,0,0,1|2,0,0]=4 4721 B13R1.554 COC(=O)C(C)OC[C@H]1CCCN1 34a_100000745186_100000211248 [0,1,0,0,0,1|2,0,0]=4 4722 B13R1.554 COC(=O)C(C)SCC1CCCO1 62a_100000203698_100000211248 [0,1,0,0,0,1|1,1,0]=4 4723 B13R1.554 COC(=O)C(C)SCC1CCCO1 62a_100000211248_100000203698 [0,1,0,0,0,1|1,1,0]=4 4724 B13R1.599 CCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210414 [0,1,0,0,0,1|2,0,0]=4 4725 B13R1.599 CCC(=O)NCCC1CCCN1C 527a_100011219722_100000210414 [0,1,0,0,0,1|2,0,0]=4 4726 B13R1.599 CNC(=O)COCC1CCCN1C 34a_100000743107_100000183359 [0,1,0,0,0,1|2,0,0]=4 4727 B13R1.599 COC(=O)COCC1CCCN1C 34a_100000743107_100000747449 [0,1,0,0,0,1|2,0,0]=4 4728 B13R1.599 COC(=O)OCSC1CCCC1=O 62a_100000211823_100000139417 [0,1,0,0,0,1|2,0,0]=4 4729 B13R1.599 COC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139417 [0,1,0,0,0,1|2,0,0]=4 4730 B13R1.717 CCC(=O)COCC1CCN(C1)C 34a_100000725409_200000690779 [0,1,0,0,0,1|2,0,0]=4 4731 B13R1.717 CCC(=O)COCC1CNC(=O)O1 34a_100000725409_100000181169 [0,1,0,0,0,1|1,0,1]=4 4732 B13R1.717 CCC(=O)COCC1COC(=O)O1 34a_100000725409_100000073702 [0,1,0,0,0,1|1,0,1]=4 4733 B13R1.717 CNC(=O)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000183359 [0,1,0,0,0,1|2,0,0]=4 4734 B13R1.717 COC(=O)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000747449 [0,1,0,0,0,1|2,0,0]=4 4735 B13R1.1110 CC(=O)C(=O)CNC[C@@H]1CCCO1 34a_100020590478_100011261029 [0,1,0,0,0,1|1,0,1]=4 4736 B13R1.1110 CC(=O)C(=O)COCC1CCCC1 34a_100000742336_100011261029 [0,1,0,0,0,1|1,0,1]=4 4737 B13R1.1110 CC(=O)C(=O)COCC1CCCO1 34a_100000210270_100011261029 [0,1,0,0,0,1|0,0,1]=3 4738 B13R1.1110 CC(=O)C(=O)COCC1COCO1 34a_100011216627_100011261029 [0,1,0,0,0,1|1,0,1]=4 4739 B13R1.1110 CC(=O)C(=O)COCC1OCCO1 34a_100000087154_100011261029 [0,1,0,0,0,1|1,0,1]=4 4740 B13R1.1110 CC(=O)C(=O)COC[C@H]1CCCN1 34a_100000745186_100011261029 [0,1,0,0,0,1|1,0,1]=4 4741 B13R1.1110 CC(=O)C(=O)CSCC1CCCO1 62a_100000203698_100011261029 [0,1,0,0,0,1|0,1,1]=4 4742 B13R1.1110 CC(=O)C(=O)CSCC1CCCO1 62a_100011261029_100000203698 [0,1,0,0,0,1|0,1,1]=4 4743 B13R1.1110 CC(C)C(=O)CCCC1CCCC1 1458a_100000210198_100011713738 [0,1,0,0,0,1|2,0,0]=4 4744 B13R1.1110 CC(C)C(=O)CCCC1OCCO1 1458a_100000210198_100000042513 [0,1,0,0,0,1|2,0,0]=4 4745 B13R1.1110 CC(C)C(=O)CNCC1CCCC1 2230a_100000737975_100000753385 [0,1,0,0,0,1|2,0,0]=4 4746 B13R1.1110 CC(C)C(=O)CNCC1CCCC1 34a_100000737975_100000753385 [0,1,0,0,0,1|2,0,0]=4 4747 B13R1.1110 CC(C)C(=O)CNCC1OCCO1 2230a_100000036311_100000753385 [0,1,0,0,0,1|2,0,0]=4 4748 B13R1.1110 CC(C)C(=O)CNCC1OCCO1 34a_100000036311_100000753385 [0,1,0,0,0,1|2,0,0]=4 4749 B13R1.1110 CC(C)C(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000753385 [0,1,0,0,0,1|1,0,0]=3 4750 B13R1.1110 CC(C)C(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000753385 [0,1,0,0,0,1|1,0,0]=3 4751 B13R1.1110 CC(C)C(=O)COCC1CCCC1 34a_100000742336_100000753385 [0,1,0,0,0,1|1,0,0]=3 4752 B13R1.1110 CC(C)C(=O)COCC1CCCC1 7a_100000742336_100000753385 [0,1,0,0,0,1|1,0,0]=3 4753 B13R1.1110 CC(C)C(=O)COCC1CCCO1 1458a_100011223388_100000210206 [0,1,0,0,0,1|0,0,0]=2 4754 B13R1.1110 CC(C)C(=O)COCC1CCCO1 34a_100000210270_100000753385 [0,1,0,0,0,1|0,0,0]=2 4755 B13R1.1110 CC(C)C(=O)COCC1CCCO1 7a_100000210270_100000753385 [0,1,0,0,0,1|0,0,0]=2 4756 B13R1.1110 CC(C)C(=O)COCC1CCNC1 34a_100000748654_100000753385 [0,1,0,0,0,1|2,0,0]=4 4757 B13R1.1110 CC(C)C(=O)COCC1CCOC1 34a_100000740260_100000753385 [0,1,0,0,0,1|2,0,0]=4 4758 B13R1.1110 CC(C)C(=O)COCC1COCO1 34a_100011216627_100000753385 [0,1,0,0,0,1|1,0,0]=3 4759 B13R1.1110 CC(C)C(=O)COCC1OCCO1 34a_100000087154_100000753385 [0,1,0,0,0,1|1,0,0]=3 4760 B13R1.1110 CC(C)C(=O)COC[C@H]1CCCN1 34a_100000745186_100000753385 [0,1,0,0,0,1|1,0,0]=3 4761 B13R1.1110 CC(C)C(=O)CSCC1CCCC1 62a_100000740388_100000753385 [0,1,0,0,0,1|1,1,0]=4 4762 B13R1.1110 CC(C)C(=O)CSCC1CCCC1 62a_100000753385_100000740388 [0,1,0,0,0,1|1,1,0]=4 4763 B13R1.1110 CC(C)C(=O)CSCC1CCCO1 1458a_100000217298_100000210206 [0,1,0,0,0,1|0,1,0]=3 4764 B13R1.1110 CC(C)C(=O)CSCC1CCCO1 62a_100000203698_100000753385 [0,1,0,0,0,1|0,1,0]=3 4765 B13R1.1110 CC(C)C(=O)CSCC1CCCO1 62a_100000753385_100000203698 [0,1,0,0,0,1|0,1,0]=3 4766 B13R1.1110 CC(C)C(=O)CSCC1OCCO1 62a_100000753385_100000755774 [0,1,0,0,0,1|1,1,0]=4 4767 B13R1.1110 CC(C)C(=O)CSCC1OCCO1 62a_100000755774_100000753385 [0,1,0,0,0,1|1,1,0]=4 4768 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 11a_100000739158_100000210198 [0,1,0,0,0,1|2,0,0]=4 4769 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 1626a_100000739158_100000210198 [0,1,0,0,0,1|2,0,0]=4 4770 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 240690a_100000739158_100000210198 [0,1,0,0,0,1|2,0,0]=4 4771 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 527a_100000739158_100000210198 [0,1,0,0,0,1|2,0,0]=4 4772 B13R1.1110 CC(C)C(=O)NCCC1OCCO1 11a_100000034215_100000210198 [0,1,0,0,0,1|2,0,0]=4 4773 B13R1.1110 CC(C)C(=O)NCCC1OCCO1 1626a_100000034215_100000210198 [0,1,0,0,0,1|2,0,0]=4 4774 B13R1.1110 CC(C)C(=O)NCCC1OCCO1 240690a_100000034215_100000210198 [0,1,0,0,0,1|2,0,0]=4 4775 B13R1.1110 CC(C)C(=O)NCCC1OCCO1 527a_100000034215_100000210198 [0,1,0,0,0,1|2,0,0]=4 4776 B13R1.1110 CC(C)C(=O)OCSC1CCCC1 62a_100000139345_100000179811 [0,1,0,0,0,1|1,0,0]=3 4777 B13R1.1110 CC(C)C(=O)OCSC1CCCC1 62a_100011217020_100000139345 [0,1,0,0,0,1|1,0,0]=3 4778 B13R1.1110 CC(C)C(=O)OCSC1CCOC1 62a_100000139345_100000690089 [0,1,0,0,0,1|2,0,0]=4 4779 B13R1.1110 CC(F)C(=O)CCCC1CCCC1 1458a_100000062450_100011713738 [0,1,0,0,0,1|2,0,0]=4 4780 B13R1.1110 CC(F)C(=O)CCCC1OCCO1 1458a_100000062450_100000042513 [0,1,0,0,0,1|2,0,0]=4 4781 B13R1.1110 CC(F)C(=O)NCCC1CCCC1 11a_100000739158_100000062450 [0,1,0,0,0,1|2,0,0]=4 4782 B13R1.1110 CC(F)C(=O)NCCC1CCCC1 1626a_100000739158_100000062450 [0,1,0,0,0,1|2,0,0]=4 4783 B13R1.1110 CC(F)C(=O)NCCC1CCCC1 240690a_100000739158_100000062450 [0,1,0,0,0,1|2,0,0]=4 4784 B13R1.1110 CC(F)C(=O)NCCC1CCCC1 527a_100000739158_100000062450 [0,1,0,0,0,1|2,0,0]=4 4785 B13R1.1110 CC(F)C(=O)NCCC1OCCO1 11a_100000034215_100000062450 [0,1,0,0,0,1|2,0,0]=4 4786 B13R1.1110 CC(F)C(=O)NCCC1OCCO1 1626a_100000034215_100000062450 [0,1,0,0,0,1|2,0,0]=4 4787 B13R1.1110 CC(F)C(=O)NCCC1OCCO1 240690a_100000034215_100000062450 [0,1,0,0,0,1|2,0,0]=4 4788 B13R1.1110 CC(F)C(=O)NCCC1OCCO1 527a_100000034215_100000062450 [0,1,0,0,0,1|2,0,0]=4 4789 B13R1.1110 CN(C)C(=O)CNCC1CCCO1 2230a_100015183351_100000203698 [0,1,0,0,0,1|2,0,0]=4 4790 B13R1.1110 CN(C)C(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000185267 [0,1,0,0,0,1|2,0,0]=4 4791 B13R1.1110 CN(C)C(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000692301 [0,1,0,0,0,1|2,0,0]=4 4792 B13R1.1110 CN(C)C(=O)COCC1CCCC1 34a_100000742336_100000692301 [0,1,0,0,0,1|2,0,0]=4 4793 B13R1.1110 CN(C)C(=O)COCC1CCCC1 7a_100000742336_100000692301 [0,1,0,0,0,1|2,0,0]=4 4794 B13R1.1110 CN(C)C(=O)COCC1CCCO1 11a_100102631434_100011223388 [0,1,0,0,0,1|1,0,0]=3 4795 B13R1.1110 CN(C)C(=O)COCC1CCCO1 1626a_100102631434_100011223388 [0,1,0,0,0,1|1,0,0]=3 4796 B13R1.1110 CN(C)C(=O)COCC1CCCO1 240690a_100102631434_100011223388 [0,1,0,0,0,1|1,0,0]=3 4797 B13R1.1110 CN(C)C(=O)COCC1CCCO1 34a_100000210270_100000692301 [0,1,0,0,0,1|1,0,0]=3 4798 B13R1.1110 CN(C)C(=O)COCC1CCCO1 527a_100102631434_100011223388 [0,1,0,0,0,1|1,0,0]=3 4799 B13R1.1110 CN(C)C(=O)COCC1CCCO1 7a_100000210270_100000692301 [0,1,0,0,0,1|1,0,0]=3 4800 B13R1.1110 CN(C)C(=O)COCC1COCO1 34a_100011216627_100000692301 [0,1,0,0,0,1|2,0,0]=4 4801 B13R1.1110 CN(C)C(=O)COCC1OCCO1 34a_100000087154_100000692301 [0,1,0,0,0,1|2,0,0]=4 4802 B13R1.1110 CN(C)C(=O)COC[C@H]1CCCN1 34a_100000745186_100000692301 [0,1,0,0,0,1|2,0,0]=4 4803 B13R1.1110 CN(C)C(=O)CSCC1CCCO1 11a_100102631434_100000217298 [0,1,0,0,0,1|1,1,0]=4 4804 B13R1.1110 CN(C)C(=O)CSCC1CCCO1 1626a_100102631434_100000217298 [0,1,0,0,0,1|1,1,0]=4 4805 B13R1.1110 CN(C)C(=O)CSCC1CCCO1 240690a_100102631434_100000217298 [0,1,0,0,0,1|1,1,0]=4 4806 B13R1.1110 CN(C)C(=O)CSCC1CCCO1 527a_100102631434_100000217298 [0,1,0,0,0,1|1,1,0]=4 4807 B13R1.1110 CN(C)C(=O)CSCC1CCCO1 62a_100000203698_100000692301 [0,1,0,0,0,1|1,1,0]=4 4808 B13R1.1110 CN(C)C(=O)CSCC1CCCO1 62a_100000692301_100000203698 [0,1,0,0,0,1|1,1,0]=4 4809 B13R1.1110 C[C@@H](O)C(=O)CCCC1CCCC1 1458a_100000717761_100011713738 [0,1,0,0,0,1|2,0,0]=4 4810 B13R1.1110 C[C@@H](O)C(=O)CCCC1OCCO1 1458a_100000717761_100000042513 [0,1,0,0,0,1|2,0,0]=4 4811 B13R1.1110 C[C@@H](O)C(=O)NCCC1CCCC1 240690a_100000739158_100000717761 [0,1,0,0,0,1|2,0,0]=4 4812 B13R1.1110 C[C@@H](O)C(=O)NCCC1OCCO1 240690a_100000034215_100000717761 [0,1,0,0,0,1|2,0,0]=4 4813 B13R1.1110 C[C@H](O)C(=O)CCCC1CCCC1 1458a_217856618621_100011713738 [0,1,0,0,0,1|2,0,0]=4 4814 B13R1.1110 C[C@H](O)C(=O)CCCC1OCCO1 1458a_217856618621_100000042513 [0,1,0,0,0,1|2,0,0]=4 4815 B13R1.1110 C[C@H](O)C(=O)NCCC1CCCC1 1626a_100000739158_217856618621 [0,1,0,0,0,1|2,0,0]=4 4816 B13R1.1110 C[C@H](O)C(=O)NCCC1CCCC1 240690a_100000739158_217856618621 [0,1,0,0,0,1|2,0,0]=4 4817 B13R1.1110 C[C@H](O)C(=O)NCCC1OCCO1 1626a_100000034215_217856618621 [0,1,0,0,0,1|2,0,0]=4 4818 B13R1.1110 C[C@H](O)C(=O)NCCC1OCCO1 240690a_100000034215_217856618621 [0,1,0,0,0,1|2,0,0]=4 4819 B13R1.2062 CCC(=O)CCCC1(OCCO1)C 1458a_100000210414_100000037737 [0,1,0,0,0,1|2,0,0]=4 4820 B13R1.2062 CCC(=O)CSCC1(OCCO1)C 62a_100000747405_100009818610 [0,1,0,0,0,1|1,1,0]=4 4821 B13R1.2062 CCC(=O)CSCC1(OCCO1)C 62a_100009818610_100000747405 [0,1,0,0,0,1|1,1,0]=4 4822 B13R1.2062 CCC(=O)NCCC1(CCCC1)O 11a_100000719956_100000210414 [0,1,0,0,0,1|2,0,0]=4 4823 B13R1.2062 CCC(=O)NCCC1(CCCC1)O 1626a_100000719956_100000210414 [0,1,0,0,0,1|2,0,0]=4 4824 B13R1.2062 CCC(=O)NCCC1(CCCC1)O 240690a_100000719956_100000210414 [0,1,0,0,0,1|2,0,0]=4 4825 B13R1.2062 CCC(=O)NCCC1(CCCC1)O 527a_100000719956_100000210414 [0,1,0,0,0,1|2,0,0]=4 4826 B13R1.2062 CCC(=O)NCCC1(OCCO1)C 1626a_100000073055_100000210414 [0,1,0,0,0,1|2,0,0]=4 4827 B13R1.2062 CCC(=O)NCCC1(OCCO1)C 240690a_100000073055_100000210414 [0,1,0,0,0,1|2,0,0]=4 4828 B13R1.2062 CCC(=O)NCCC1(OCCO1)C 527a_100000073055_100000210414 [0,1,0,0,0,1|2,0,0]=4 4829 B13R1.2062 CNC(=O)COCC1(CCCC1)N 34a_100000749328_100000183359 [0,1,0,0,0,1|2,0,0]=4 4830 B13R1.2062 CNC(=O)COC[C@@]1(CCCN1)C 34a_100016195882_100000183359 [0,1,0,0,0,1|2,0,0]=4 4831 B13R1.2062 COC(=O)COCC1(CCCC1)N 34a_100000749328_100000747449 [0,1,0,0,0,1|2,0,0]=4 4832 B13R1.2062 COC(=O)COC[C@@]1(CCCN1)C 34a_100016195882_100000747449 [0,1,0,0,0,1|2,0,0]=4 4833 B13R1.33 C#CCC(=O)NC(C)C1CCCO1 1626a_100025754208_100011220946 [0,2,0,0,0,0|1,0,1]=4 4834 B13R1.33 C#CCC(=O)NC(C)C1CCCO1 527a_100025754208_100011220946 [0,2,0,0,0,0|1,0,1]=4 4835 B13R1.33 C=CCC(=O)NC(C)C1CCCO1 11a_100025754208_100000210193 [0,2,0,0,0,0|1,0,1]=4 4836 B13R1.33 C=CCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000210193 [0,2,0,0,0,0|1,0,1]=4 4837 B13R1.33 C=CCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000210193 [0,2,0,0,0,0|1,0,1]=4 4838 B13R1.33 C=CCC(=O)NC(C)C1CCCO1 527a_100025754208_100000210193 [0,2,0,0,0,0|1,0,1]=4 4839 B13R1.33 CC(NC(=O)CC#N)C1CCCO1 1626a_100025754208_100051588842 [0,2,0,0,0,0|1,0,1]=4 4840 B13R1.33 CC(NC(=O)CC#N)C1CCCO1 240690a_100025754208_100051588842 [0,2,0,0,0,0|1,0,1]=4 4841 B13R1.33 CC(NC(=O)CCO)C1CCCC1 240690a_100015185923_100011216618 [0,2,0,0,0,0|2,0,0]=4 4842 B13R1.33 CC(NC(=O)CCO)C1CCCO1 240690a_100025754208_100011216618 [0,2,0,0,0,0|1,0,0]=3 4843 B13R1.33 CC=CC(=O)NC(C)C1CCCO1 11a_100025754208_100000210699 [0,2,0,0,0,0|1,0,1]=4 4844 B13R1.33 CC=CC(=O)NC(C)C1CCCO1 1626a_100025754208_100000210699 [0,2,0,0,0,0|1,0,1]=4 4845 B13R1.33 CC=CC(=O)NC(C)C1CCCO1 240690a_100025754208_100000210699 [0,2,0,0,0,0|1,0,1]=4 4846 B13R1.33 CCCC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747444 [0,2,0,0,0,0|1,0,1]=4 4847 B13R1.33 CCCC(=O)NC(C)C1CCCC1 11a_100015185923_100000211992 [0,2,0,0,0,0|2,0,0]=4 4848 B13R1.33 CCCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000211992 [0,2,0,0,0,0|2,0,0]=4 4849 B13R1.33 CCCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000211992 [0,2,0,0,0,0|2,0,0]=4 4850 B13R1.33 CCCC(=O)NC(C)C1CCCC1 527a_100015185923_100000211992 [0,2,0,0,0,0|2,0,0]=4 4851 B13R1.33 CCCC(=O)NC(C)C1CCCO1 11a_100025754208_100000211992 [0,2,0,0,0,0|1,0,0]=3 4852 B13R1.33 CCCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000211992 [0,2,0,0,0,0|1,0,0]=3 4853 B13R1.33 CCCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000211992 [0,2,0,0,0,0|1,0,0]=3 4854 B13R1.33 CCCC(=O)NC(C)C1CCCO1 527a_100025754208_100000211992 [0,2,0,0,0,0|1,0,0]=3 4855 B13R1.33 CCNC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000183381 [0,2,0,0,0,0|1,0,1]=4 4856 B13R1.33 CCNC(=O)NC(C)C1CCCC1 2708a_100015185923_100015525214 [0,2,0,0,0,0|2,0,0]=4 4857 B13R1.33 CCNC(=O)NC(C)C1CCCC1 2708a_100015525214_100015185923 [0,2,0,0,0,0|2,0,0]=4 4858 B13R1.33 CCNC(=O)NC(C)C1CCCC1 273464a_100015185923_100015525214 [0,2,0,0,0,0|2,0,0]=4 4859 B13R1.33 CCNC(=O)NC(C)C1CCCC1 273464a_100015525214_100015185923 [0,2,0,0,0,0|2,0,0]=4 4860 B13R1.33 CCNC(=O)NC(C)C1CCCC1 512a_100015185923_100015525214 [0,2,0,0,0,0|2,0,0]=4 4861 B13R1.33 CCNC(=O)NC(C)C1CCCC1 512a_100015525214_100015185923 [0,2,0,0,0,0|2,0,0]=4 4862 B13R1.33 CCNC(=O)NC(C)C1CCCO1 2708a_100015525214_100025754208 [0,2,0,0,0,0|1,0,0]=3 4863 B13R1.33 CCNC(=O)NC(C)C1CCCO1 2708a_100025754208_100015525214 [0,2,0,0,0,0|1,0,0]=3 4864 B13R1.33 CCNC(=O)NC(C)C1CCCO1 273464a_100015525214_100025754208 [0,2,0,0,0,0|1,0,0]=3 4865 B13R1.33 CCNC(=O)NC(C)C1CCCO1 273464a_100025754208_100015525214 [0,2,0,0,0,0|1,0,0]=3 4866 B13R1.33 CCNC(=O)NC(C)C1CCCO1 512a_100015525214_100025754208 [0,2,0,0,0,0|1,0,0]=3 4867 B13R1.33 CCNC(=O)NC(C)C1CCCO1 512a_100025754208_100015525214 [0,2,0,0,0,0|1,0,0]=3 4868 B13R1.33 CCOC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000188475 [0,2,0,0,0,0|1,0,1]=4 4869 B13R1.33 CCOC(=O)OC(C)N1CCCC1 269982a_100000188435_100000036008 [0,2,0,0,0,0|2,0,0]=4 4870 B13R1.33 CNNC(=O)NC(C)C1CCCO1 273464a_100025754208_100016993582 [0,2,0,0,0,0|2,0,0]=4 4871 B13R1.33 CNNC(=O)NC(C)C1CCCO1 512a_100016993582_100025754208 [0,2,0,0,0,0|2,0,0]=4 4872 B13R1.33 CNNC(=O)NC(C)C1CCCO1 512a_100025754208_100016993582 [0,2,0,0,0,0|2,0,0]=4 4873 B13R1.33 COCC(=O)NC(C)C1CCCC1 11a_100015185923_100000210968 [0,2,0,0,0,0|2,0,0]=4 4874 B13R1.33 COCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000210968 [0,2,0,0,0,0|2,0,0]=4 4875 B13R1.33 COCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000210968 [0,2,0,0,0,0|2,0,0]=4 4876 B13R1.33 COCC(=O)NC(C)C1CCCC1 527a_100015185923_100000210968 [0,2,0,0,0,0|2,0,0]=4 4877 B13R1.33 COCC(=O)NC(C)C1CCCO1 11a_100025754208_100000210968 [0,2,0,0,0,0|1,0,0]=3 4878 B13R1.33 COCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000210968 [0,2,0,0,0,0|1,0,0]=3 4879 B13R1.33 COCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000210968 [0,2,0,0,0,0|1,0,0]=3 4880 B13R1.33 COCC(=O)NC(C)C1CCCO1 527a_100025754208_100000210968 [0,2,0,0,0,0|1,0,0]=3 4881 B13R1.33 CSCC(=O)NC(C)C1CCCC1 11a_100015185923_100000184570 [0,2,0,0,0,0|2,0,0]=4 4882 B13R1.33 CSCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000184570 [0,2,0,0,0,0|2,0,0]=4 4883 B13R1.33 CSCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000184570 [0,2,0,0,0,0|2,0,0]=4 4884 B13R1.33 CSCC(=O)NC(C)C1CCCC1 527a_100015185923_100000184570 [0,2,0,0,0,0|2,0,0]=4 4885 B13R1.33 CSCC(=O)NC(C)C1CCCO1 11a_100025754208_100000184570 [0,2,0,0,0,0|1,0,0]=3 4886 B13R1.33 CSCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000184570 [0,2,0,0,0,0|1,0,0]=3 4887 B13R1.33 CSCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000184570 [0,2,0,0,0,0|1,0,0]=3 4888 B13R1.33 CSCC(=O)NC(C)C1CCCO1 527a_100025754208_100000184570 [0,2,0,0,0,0|1,0,0]=3 4889 B13R1.83 CCC(=O)C(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000742827 [0,2,0,0,0,0|1,0,1]=4 4890 B13R1.83 CCC(=O)N(C)C(C)C1CCCC1 11a_106630658171_100000210414 [0,2,0,0,0,0|2,0,0]=4 4891 B13R1.83 CCC(=O)N(C)C(C)C1CCCC1 1626a_106630658171_100000210414 [0,2,0,0,0,0|2,0,0]=4 4892 B13R1.83 CCC(=O)N(C)C(C)C1CCCC1 240690a_106630658171_100000210414 [0,2,0,0,0,0|2,0,0]=4 4893 B13R1.83 CCC(=O)N(C)C(C)C1CCCC1 527a_106630658171_100000210414 [0,2,0,0,0,0|2,0,0]=4 4894 B13R1.251 CCS(=O)(=O)NC(C)C1CCCO1 270084a_100025754208_100000211323 [0,2,0,0,0,0|2,0,0]=4 4895 B13R1.251 CCS(=O)(=O)NC(C)C1CCCO1 274078a_100025754208_100000211323 [0,2,0,0,0,0|2,0,0]=4 4896 B13R1.251 CCS(=O)(=O)NC(C)C1CCCO1 40a_100025754208_100000053943 [0,2,0,0,0,0|2,0,0]=4 4897 B13R1.339 C=C(C)C(=O)NC(C)C1CCCO1 11a_100025754208_100000185857 [0,2,0,0,0,0|1,0,1]=4 4898 B13R1.339 C=C(C)C(=O)NC(C)C1CCCO1 1626a_100025754208_100000185857 [0,2,0,0,0,0|1,0,1]=4 4899 B13R1.339 CC(C)C(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000753385 [0,2,0,0,0,0|1,0,1]=4 4900 B13R1.339 CC(C)C(=O)NC(C)C1CCCC1 11a_100015185923_100000210198 [0,2,0,0,0,0|2,0,0]=4 4901 B13R1.339 CC(C)C(=O)NC(C)C1CCCC1 1626a_100015185923_100000210198 [0,2,0,0,0,0|2,0,0]=4 4902 B13R1.339 CC(C)C(=O)NC(C)C1CCCC1 240690a_100015185923_100000210198 [0,2,0,0,0,0|2,0,0]=4 4903 B13R1.339 CC(C)C(=O)NC(C)C1CCCC1 527a_100015185923_100000210198 [0,2,0,0,0,0|2,0,0]=4 4904 B13R1.339 CC(C)C(=O)NC(C)C1CCCO1 11a_100025754208_100000210198 [0,2,0,0,0,0|1,0,0]=3 4905 B13R1.339 CC(C)C(=O)NC(C)C1CCCO1 1626a_100025754208_100000210198 [0,2,0,0,0,0|1,0,0]=3 4906 B13R1.339 CC(C)C(=O)NC(C)C1CCCO1 240690a_100025754208_100000210198 [0,2,0,0,0,0|1,0,0]=3 4907 B13R1.339 CC(C)C(=O)NC(C)C1CCCO1 527a_100025754208_100000210198 [0,2,0,0,0,0|1,0,0]=3 4908 B13R1.339 CC(F)C(=O)NC(C)C1CCCC1 11a_100015185923_100000062450 [0,2,0,0,0,0|2,0,0]=4 4909 B13R1.339 CC(F)C(=O)NC(C)C1CCCC1 1626a_100015185923_100000062450 [0,2,0,0,0,0|2,0,0]=4 4910 B13R1.339 CC(F)C(=O)NC(C)C1CCCC1 240690a_100015185923_100000062450 [0,2,0,0,0,0|2,0,0]=4 4911 B13R1.339 CC(F)C(=O)NC(C)C1CCCC1 527a_100015185923_100000062450 [0,2,0,0,0,0|2,0,0]=4 4912 B13R1.339 CC(F)C(=O)NC(C)C1CCCO1 11a_100025754208_100000062450 [0,2,0,0,0,0|1,0,0]=3 4913 B13R1.339 CC(F)C(=O)NC(C)C1CCCO1 1626a_100025754208_100000062450 [0,2,0,0,0,0|1,0,0]=3 4914 B13R1.339 CC(F)C(=O)NC(C)C1CCCO1 240690a_100025754208_100000062450 [0,2,0,0,0,0|1,0,0]=3 4915 B13R1.339 CC(F)C(=O)NC(C)C1CCCO1 527a_100025754208_100000062450 [0,2,0,0,0,0|1,0,0]=3 4916 B13R1.339 CC(NC(=O)C(F)F)C1CCCO1 11a_100025754208_100000210393 [0,2,0,0,0,0|2,0,0]=4 4917 B13R1.339 CC(NC(=O)C(F)F)C1CCCO1 1626a_100025754208_100000210393 [0,2,0,0,0,0|2,0,0]=4 4918 B13R1.339 CC(NC(=O)C(F)F)C1CCCO1 240690a_100025754208_100000210393 [0,2,0,0,0,0|2,0,0]=4 4919 B13R1.339 CC(NC(=O)C(F)F)C1CCCO1 527a_100025754208_100000210393 [0,2,0,0,0,0|2,0,0]=4 4920 B13R1.339 CC(NC(=O)C(O)O)C1CCCO1 240690a_100025754208_100000233687 [0,2,0,0,0,0|2,0,0]=4 4921 B13R1.339 CC(NC(=O)N(C)C)C1CCCO1 2708a_100025754208_100102631434 [0,2,0,0,0,0|2,0,0]=4 4922 B13R1.339 CC(NC(=O)[C@@H](C)O)C1CCCC1 240690a_100015185923_100000717761 [0,2,0,0,0,0|2,0,0]=4 4923 B13R1.339 CC(NC(=O)[C@@H](C)O)C1CCCO1 240690a_100025754208_100000717761 [0,2,0,0,0,0|1,0,0]=3 4924 B13R1.339 CC(NC(=O)[C@H](C)O)C1CCCC1 1626a_100015185923_217856618621 [0,2,0,0,0,0|2,0,0]=4 4925 B13R1.339 CC(NC(=O)[C@H](C)O)C1CCCC1 240690a_100015185923_217856618621 [0,2,0,0,0,0|2,0,0]=4 4926 B13R1.339 CC(NC(=O)[C@H](C)O)C1CCCO1 1626a_100025754208_217856618621 [0,2,0,0,0,0|1,0,0]=3 4927 B13R1.339 CC(NC(=O)[C@H](C)O)C1CCCO1 240690a_100025754208_217856618621 [0,2,0,0,0,0|1,0,0]=3 4928 B13R1.1431 CCC(=O)CC(=O)C1(CCCO1)C 1458a_100000684770_100000747405 [0,2,0,0,0,0|1,0,1]=4 4929 B13R1.2873 CCC(=O)NC(C#N)C1CCCC1 11a_100000767069_100000210414 [0,2,0,0,0,0|2,0,0]=4 4930 B13R1.2873 CCC(=O)NC(C#N)C1CCCC1 1626a_100000767069_100000210414 [0,2,0,0,0,0|2,0,0]=4 4931 B13R1.2873 CCC(=O)NC(C#N)C1CCCC1 240690a_100000767069_100000210414 [0,2,0,0,0,0|2,0,0]=4 4932 B13R1.2873 CCC(=O)NC(C#N)C1CCCC1 527a_100000767069_100000210414 [0,2,0,0,0,0|2,0,0]=4 4933 B13R1.41 CCCC(=O)OCN1CCC(C1)O 2230a_100011215560_100000034017 [0,2,0,0,0,0|2,0,0]=4 4934 B13R1.41 CCCC(=O)OCN1CCC(C1)O 269982a_100011215560_100000034017 [0,2,0,0,0,0|2,0,0]=4 4935 B13R1.41 CCCC(=O)OCN1CC[C@@H](C1)F 2230a_100015203821_100000034017 [0,2,0,0,0,0|2,0,0]=4 4936 B13R1.41 CCCC(=O)OCN1CC[C@@H](C1)F 269982a_100015203821_100000034017 [0,2,0,0,0,0|2,0,0]=4 4937 B13R1.41 CCCC(=O)OCN1CC[C@@H](C1)F 34a_100015203821_100000034017 [0,2,0,0,0,0|2,0,0]=4 4938 B13R1.41 CCCC(=O)OCN1CC[C@H](C1)C 2230a_100016987628_100000034017 [0,2,0,0,0,0|2,0,0]=4 4939 B13R1.41 CCCC(=O)OCN1CC[C@H](C1)C 269982a_100016987628_100000034017 [0,2,0,0,0,0|2,0,0]=4 4940 B13R1.41 CCCC(=O)OCN1CC[C@H](C1)C 34a_100016987628_100000034017 [0,2,0,0,0,0|2,0,0]=4 4941 B13R1.61 CCC(=O)CCC1CCC(C1)CC 1458a_200009887184_100000210202 [0,2,0,0,0,0|2,0,0]=4 4942 B13R1.61 CCC(=O)NC[C@@H]1CC[C@@H](C1)CO 240690a_206354213956_100000210414 [0,2,0,0,0,0|2,0,0]=4 4943 B13R1.2039 CCC(=O)NC[C@H]1COC(O1)(C)C 11a_100015982057_100000210414 [0,2,0,0,0,0|2,0,0]=4 4944 B13R1.2039 CCC(=O)NC[C@H]1COC(O1)(C)C 1626a_100015982057_100000210414 [0,2,0,0,0,0|2,0,0]=4 4945 B13R1.2039 CCC(=O)NC[C@H]1COC(O1)(C)C 240690a_100015982057_100000210414 [0,2,0,0,0,0|2,0,0]=4 4946 B13R1.2039 CCC(=O)NC[C@H]1COC(O1)(C)C 527a_100015982057_100000210414 [0,2,0,0,0,0|2,0,0]=4 4947 B13R1.66 C#CCC(=O)N(C)CC1CCCO1 1626a_100102946541_100011220946 [0,2,0,0,0,0|1,0,1]=4 4948 B13R1.66 C#CCC(=O)N(C)CC1CCCO1 527a_100102946541_100011220946 [0,2,0,0,0,0|1,0,1]=4 4949 B13R1.66 C=CCC(=O)N(C)CC1CCCO1 11a_100102946541_100000210193 [0,2,0,0,0,0|1,0,1]=4 4950 B13R1.66 C=CCC(=O)N(C)CC1CCCO1 1626a_100102946541_100000210193 [0,2,0,0,0,0|1,0,1]=4 4951 B13R1.66 C=CCC(=O)N(C)CC1CCCO1 240690a_100102946541_100000210193 [0,2,0,0,0,0|1,0,1]=4 4952 B13R1.66 C=CCC(=O)N(C)CC1CCCO1 527a_100102946541_100000210193 [0,2,0,0,0,0|1,0,1]=4 4953 B13R1.66 CC/C=C(\C)/C(=O)CC1CCCO1 1458a_100016988807_100000203698 [0,2,0,0,0,0|2,0,0]=4 4954 B13R1.66 CC=CC(=O)N(C)CC1CCCO1 11a_100102946541_100000210699 [0,2,0,0,0,0|1,0,1]=4 4955 B13R1.66 CC=CC(=O)N(C)CC1CCCO1 1626a_100102946541_100000210699 [0,2,0,0,0,0|1,0,1]=4 4956 B13R1.66 CC=CC(=O)N(C)CC1CCCO1 240690a_100102946541_100000210699 [0,2,0,0,0,0|1,0,1]=4 4957 B13R1.66 CCCC(=O)N(C)CC1CCCO1 11a_100102946541_100000211992 [0,2,0,0,0,0|1,0,0]=3 4958 B13R1.66 CCCC(=O)N(C)CC1CCCO1 1626a_100102946541_100000211992 [0,2,0,0,0,0|1,0,0]=3 4959 B13R1.66 CCCC(=O)N(C)CC1CCCO1 240690a_100102946541_100000211992 [0,2,0,0,0,0|1,0,0]=3 4960 B13R1.66 CCCC(=O)N(C)CC1CCCO1 527a_100102946541_100000211992 [0,2,0,0,0,0|1,0,0]=3 4961 B13R1.66 CCCC(=O)N(C)CC1OCCO1 11a_200000032744_100000211992 [0,2,0,0,0,0|2,0,0]=4 4962 B13R1.66 CCCC(=O)N(C)CC1OCCO1 1626a_200000032744_100000211992 [0,2,0,0,0,0|2,0,0]=4 4963 B13R1.66 CCCC(=O)N(C)CC1OCCO1 527a_200000032744_100000211992 [0,2,0,0,0,0|2,0,0]=4 4964 B13R1.66 CCNC(=O)C(=O)CC1CCCC1 1458a_200011297158_100000740388 [0,2,0,0,0,0|2,0,0]=4 4965 B13R1.66 CCNC(=O)C(=O)CC1CCCO1 1458a_200011297158_100000203698 [0,2,0,0,0,0|1,0,0]=3 4966 B13R1.66 CCNC(=O)C(=O)CC1OCCO1 1458a_200011297158_100000755774 [0,2,0,0,0,0|2,0,0]=4 4967 B13R1.66 CCNC(=O)C(C)OC1CCCO1 34a_100000085407_100000230173 [0,2,0,0,0,0|2,0,0]=4 4968 B13R1.66 CCNC(=O)N(C)CC1CCCO1 2708a_100015525214_100102946541 [0,2,0,0,0,0|1,0,0]=3 4969 B13R1.66 CCNC(=O)N(C)CC1CCCO1 273464a_100015525214_100102946541 [0,2,0,0,0,0|1,0,0]=3 4970 B13R1.66 CCNC(=O)N(C)CC1OCCO1 2708a_100015525214_200000032744 [0,2,0,0,0,0|2,0,0]=4 4971 B13R1.66 CCNC(=O)N(C)CC1OCCO1 273464a_100015525214_200000032744 [0,2,0,0,0,0|2,0,0]=4 4972 B13R1.66 CCOC(=O)C(C)OC1CCCO1 34a_100000085407_100011216346 [0,2,0,0,0,0|2,0,0]=4 4973 B13R1.66 CCOC(=O)C(F)OC1CCCO1 34a_100000085407_100000760018 [0,2,0,0,0,0|2,0,0]=4 4974 B13R1.66 CN(CC1CCCO1)C(=O)CC#N 1626a_100102946541_100051588842 [0,2,0,0,0,0|1,0,1]=4 4975 B13R1.66 CN(CC1CCCO1)C(=O)CC#N 240690a_100102946541_100051588842 [0,2,0,0,0,0|1,0,1]=4 4976 B13R1.66 CN(CC1CCCO1)C(=O)CCO 240690a_100102946541_100011216618 [0,2,0,0,0,0|1,0,0]=3 4977 B13R1.66 COCC(=O)N(C)CC1CCCO1 11a_100102946541_100000210968 [0,2,0,0,0,0|1,0,0]=3 4978 B13R1.66 COCC(=O)N(C)CC1CCCO1 1626a_100102946541_100000210968 [0,2,0,0,0,0|1,0,0]=3 4979 B13R1.66 COCC(=O)N(C)CC1CCCO1 240690a_100102946541_100000210968 [0,2,0,0,0,0|1,0,0]=3 4980 B13R1.66 COCC(=O)N(C)CC1CCCO1 527a_100102946541_100000210968 [0,2,0,0,0,0|1,0,0]=3 4981 B13R1.66 COCC(=O)N(C)CC1OCCO1 11a_200000032744_100000210968 [0,2,0,0,0,0|2,0,0]=4 4982 B13R1.66 COCC(=O)N(C)CC1OCCO1 1626a_200000032744_100000210968 [0,2,0,0,0,0|2,0,0]=4 4983 B13R1.66 COCC(=O)N(C)CC1OCCO1 527a_200000032744_100000210968 [0,2,0,0,0,0|2,0,0]=4 4984 B13R1.66 CSCC(=O)N(C)CC1CCCO1 11a_100102946541_100000184570 [0,2,0,0,0,0|1,0,0]=3 4985 B13R1.66 CSCC(=O)N(C)CC1CCCO1 1626a_100102946541_100000184570 [0,2,0,0,0,0|1,0,0]=3 4986 B13R1.66 CSCC(=O)N(C)CC1CCCO1 240690a_100102946541_100000184570 [0,2,0,0,0,0|1,0,0]=3 4987 B13R1.66 CSCC(=O)N(C)CC1CCCO1 527a_100102946541_100000184570 [0,2,0,0,0,0|1,0,0]=3 4988 B13R1.66 CSCC(=O)N(C)CC1OCCO1 11a_200000032744_100000184570 [0,2,0,0,0,0|2,0,0]=4 4989 B13R1.66 CSCC(=O)N(C)CC1OCCO1 1626a_200000032744_100000184570 [0,2,0,0,0,0|2,0,0]=4 4990 B13R1.66 CSCC(=O)N(C)CC1OCCO1 527a_200000032744_100000184570 [0,2,0,0,0,0|2,0,0]=4 4991 B13R1.153 C#CCCC(=O)CCC1CCCC1 1458a_100000211120_100000753159 [0,2,0,0,0,0|2,0,0]=4 4992 B13R1.153 C#CCCC(=O)CCC1CCCC1 1458a_100000692101_100000760354 [0,2,0,0,0,0|2,0,0]=4 4993 B13R1.153 C#CCCC(=O)CCC1CCCO1 1458a_100011247709_100000753159 [0,2,0,0,0,0|1,0,0]=3 4994 B13R1.153 C#CCCC(=O)CCC1OCCO1 1458a_100000082924_100000753159 [0,2,0,0,0,0|2,0,0]=4 4995 B13R1.153 C#CCCC(=O)CCC1OCCO1 1458a_100000692101_100000740749 [0,2,0,0,0,0|2,0,0]=4 4996 B13R1.153 C#CCCC(=O)CCN1CCCO1 1458a_200015187630_100000753159 [0,2,0,0,0,0|2,0,0]=4 4997 B13R1.153 C#CCCC(=O)NCC1CCCC1 11a_100000737975_100000692101 [0,2,0,0,0,0|2,0,0]=4 4998 B13R1.153 C#CCCC(=O)NCC1CCCC1 1626a_100000737975_100000692101 [0,2,0,0,0,0|2,0,0]=4 4999 B13R1.153 C#CCCC(=O)NCC1CCCC1 240690a_100000737975_100000692101 [0,2,0,0,0,0|2,0,0]=4 5000 B13R1.153 C#CCCC(=O)NCC1CCCC1 527a_100000737975_100000692101 [0,2,0,0,0,0|2,0,0]=4 5001 B13R1.153 C#CCCC(=O)NCC1OCCO1 11a_100000036311_100000692101 [0,2,0,0,0,0|2,0,0]=4 5002 B13R1.153 C#CCCC(=O)NCC1OCCO1 1626a_100000036311_100000692101 [0,2,0,0,0,0|2,0,0]=4 5003 B13R1.153 C#CCCC(=O)NCC1OCCO1 527a_100000036311_100000692101 [0,2,0,0,0,0|2,0,0]=4 5004 B13R1.153 C#CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000692101 [0,2,0,0,0,0|1,0,0]=3 5005 B13R1.153 C#CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000692101 [0,2,0,0,0,0|1,0,0]=3 5006 B13R1.153 C#CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000692101 [0,2,0,0,0,0|1,0,0]=3 5007 B13R1.153 C#CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000692101 [0,2,0,0,0,0|1,0,0]=3 5008 B13R1.153 C#CCNC(=O)CCC1CCCO1 11a_100000212058_100011247709 [0,2,0,0,0,0|1,0,1]=4 5009 B13R1.153 C#CCNC(=O)CCC1CCCO1 1626a_100000212058_100011247709 [0,2,0,0,0,0|1,0,1]=4 5010 B13R1.153 C#CCNC(=O)CCC1CCCO1 240690a_100000212058_100011247709 [0,2,0,0,0,0|1,0,1]=4 5011 B13R1.153 C#CCNC(=O)CCC1CCCO1 527a_100000212058_100011247709 [0,2,0,0,0,0|1,0,1]=4 5012 B13R1.153 C#CCNC(=O)NC[C@@H]1CCCO1 2708a_100000212058_100020590478 [0,2,0,0,0,0|1,0,1]=4 5013 B13R1.153 C#CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100000212058 [0,2,0,0,0,0|1,0,1]=4 5014 B13R1.153 C#CCNC(=O)NC[C@@H]1CCCO1 273464a_100000212058_100020590478 [0,2,0,0,0,0|1,0,1]=4 5015 B13R1.153 C#CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100000212058 [0,2,0,0,0,0|1,0,1]=4 5016 B13R1.153 C#CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100000212058 [0,2,0,0,0,0|1,0,1]=4 5017 B13R1.153 C/C=C/CC(=O)CCC1CCCC1 1458a_100000211120_100102629194 [0,2,0,0,0,0|2,0,0]=4 5018 B13R1.153 C/C=C/CC(=O)CCC1CCCO1 1458a_100011247709_100102629194 [0,2,0,0,0,0|1,0,0]=3 5019 B13R1.153 C/C=C/CC(=O)CCC1OCCO1 1458a_100000082924_100102629194 [0,2,0,0,0,0|2,0,0]=4 5020 B13R1.153 C/C=C/CC(=O)CCN1CCCO1 1458a_200015187630_100102629194 [0,2,0,0,0,0|2,0,0]=4 5021 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000211120_100000754431 [0,2,0,0,0,0|2,0,0]=4 5022 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000749702_100000760354 [0,2,0,0,0,0|2,0,0]=4 5023 B13R1.153 C=CCCC(=O)CCC1CCCO1 1458a_100011247709_100000754431 [0,2,0,0,0,0|1,0,0]=3 5024 B13R1.153 C=CCCC(=O)CCC1OCCO1 1458a_100000082924_100000754431 [0,2,0,0,0,0|2,0,0]=4 5025 B13R1.153 C=CCCC(=O)CCC1OCCO1 1458a_100000749702_100000740749 [0,2,0,0,0,0|2,0,0]=4 5026 B13R1.153 C=CCCC(=O)CCN1CCCO1 1458a_200015187630_100000754431 [0,2,0,0,0,0|2,0,0]=4 5027 B13R1.153 C=CCCC(=O)NCC1CCCC1 11a_100000737975_100000749702 [0,2,0,0,0,0|2,0,0]=4 5028 B13R1.153 C=CCCC(=O)NCC1CCCC1 1626a_100000737975_100000749702 [0,2,0,0,0,0|2,0,0]=4 5029 B13R1.153 C=CCCC(=O)NCC1CCCC1 240690a_100000737975_100000749702 [0,2,0,0,0,0|2,0,0]=4 5030 B13R1.153 C=CCCC(=O)NCC1CCCC1 527a_100000737975_100000749702 [0,2,0,0,0,0|2,0,0]=4 5031 B13R1.153 C=CCCC(=O)NCC1OCCO1 11a_100000036311_100000749702 [0,2,0,0,0,0|2,0,0]=4 5032 B13R1.153 C=CCCC(=O)NCC1OCCO1 1626a_100000036311_100000749702 [0,2,0,0,0,0|2,0,0]=4 5033 B13R1.153 C=CCCC(=O)NCC1OCCO1 527a_100000036311_100000749702 [0,2,0,0,0,0|2,0,0]=4 5034 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000749702 [0,2,0,0,0,0|1,0,0]=3 5035 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000749702 [0,2,0,0,0,0|1,0,0]=3 5036 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000749702 [0,2,0,0,0,0|1,0,0]=3 5037 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000749702 [0,2,0,0,0,0|1,0,0]=3 5038 B13R1.153 C=CCCC(C)OCC1CCCO1 7a_100000765329_100000203698 [0,2,0,0,0,0|1,0,1]=4 5039 B13R1.153 C=CCNC(=O)CCC1CCCO1 1626a_100020586998_100011247709 [0,2,0,0,0,0|1,0,1]=4 5040 B13R1.153 C=CCNC(=O)CCC1CCCO1 240690a_100020586998_100011247709 [0,2,0,0,0,0|1,0,1]=4 5041 B13R1.153 C=CCNC(=O)CCC1CCCO1 527a_100020586998_100011247709 [0,2,0,0,0,0|1,0,1]=4 5042 B13R1.153 C=CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100020586998 [0,2,0,0,0,0|1,0,1]=4 5043 B13R1.153 C=CCNC(=O)NC[C@@H]1CCCO1 273464a_100020586998_100020590478 [0,2,0,0,0,0|1,0,1]=4 5044 B13R1.153 C=CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100020586998 [0,2,0,0,0,0|1,0,1]=4 5045 B13R1.153 C=CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100020586998 [0,2,0,0,0,0|1,0,1]=4 5046 B13R1.153 CC#CCC(=O)CCC1CCCC1 1458a_100000211120_100000748600 [0,2,0,0,0,0|2,0,0]=4 5047 B13R1.153 CC#CCC(=O)CCC1CCCO1 1458a_100011247709_100000748600 [0,2,0,0,0,0|1,0,0]=3 5048 B13R1.153 CC#CCC(=O)CCC1OCCO1 1458a_100000082924_100000748600 [0,2,0,0,0,0|2,0,0]=4 5049 B13R1.153 CC#CCC(=O)CCN1CCCO1 1458a_200015187630_100000748600 [0,2,0,0,0,0|2,0,0]=4 5050 B13R1.153 CC(CCCCl)OCC1CCCO1 7a_200000718107_100000203698 [0,2,0,0,0,0|1,0,1]=4 5051 B13R1.153 CC=CCC(=O)CCC1CCCC1 1458a_100000211120_100000070051 [0,2,0,0,0,0|2,0,0]=4 5052 B13R1.153 CC=CCC(=O)CCC1CCCC1 1458a_100121576822_100000760354 [0,2,0,0,0,0|2,0,0]=4 5053 B13R1.153 CC=CCC(=O)CCC1CCCO1 1458a_100011247709_100000070051 [0,2,0,0,0,0|1,0,0]=3 5054 B13R1.153 CC=CCC(=O)CCC1OCCO1 1458a_100000082924_100000070051 [0,2,0,0,0,0|2,0,0]=4 5055 B13R1.153 CC=CCC(=O)CCC1OCCO1 1458a_100121576822_100000740749 [0,2,0,0,0,0|2,0,0]=4 5056 B13R1.153 CC=CCC(=O)CCN1CCCO1 1458a_200015187630_100000070051 [0,2,0,0,0,0|2,0,0]=4 5057 B13R1.153 CC=CCC(=O)NCC1CCCC1 11a_100000737975_100121576822 [0,2,0,0,0,0|2,0,0]=4 5058 B13R1.153 CC=CCC(=O)NCC1CCCC1 1626a_100000737975_100121576822 [0,2,0,0,0,0|2,0,0]=4 5059 B13R1.153 CC=CCC(=O)NCC1CCCC1 240690a_100000737975_100121576822 [0,2,0,0,0,0|2,0,0]=4 5060 B13R1.153 CC=CCC(=O)NCC1CCCC1 527a_100000737975_100121576822 [0,2,0,0,0,0|2,0,0]=4 5061 B13R1.153 CC=CCC(=O)NCC1OCCO1 11a_100000036311_100121576822 [0,2,0,0,0,0|2,0,0]=4 5062 B13R1.153 CC=CCC(=O)NCC1OCCO1 1626a_100000036311_100121576822 [0,2,0,0,0,0|2,0,0]=4 5063 B13R1.153 CC=CCC(=O)NCC1OCCO1 527a_100000036311_100121576822 [0,2,0,0,0,0|2,0,0]=4 5064 B13R1.153 CC=CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100121576822 [0,2,0,0,0,0|1,0,0]=3 5065 B13R1.153 CC=CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100121576822 [0,2,0,0,0,0|1,0,0]=3 5066 B13R1.153 CC=CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100121576822 [0,2,0,0,0,0|1,0,0]=3 5067 B13R1.153 CC=CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100121576822 [0,2,0,0,0,0|1,0,0]=3 5068 B13R1.153 CCC#CC(=O)CCC1CCCC1 1458a_100011827653_100000760354 [0,2,0,0,0,0|2,0,0]=4 5069 B13R1.153 CCC#CC(=O)CCC1OCCO1 1458a_100011827653_100000740749 [0,2,0,0,0,0|2,0,0]=4 5070 B13R1.153 CCC#CC(C)OCC1CCCO1 7a_100000033903_100000203698 [0,2,0,0,0,0|1,0,1]=4 5071 B13R1.153 CCC=CC(=O)CCC1CCCC1 1458a_100000212282_100000760354 [0,2,0,0,0,0|2,0,0]=4 5072 B13R1.153 CCC=CC(=O)CCC1OCCO1 1458a_100000212282_100000740749 [0,2,0,0,0,0|2,0,0]=4 5073 B13R1.153 CCC=CC(=O)NCC1CCCC1 11a_100000737975_100000212282 [0,2,0,0,0,0|2,0,0]=4 5074 B13R1.153 CCC=CC(=O)NCC1CCCC1 1626a_100000737975_100000212282 [0,2,0,0,0,0|2,0,0]=4 5075 B13R1.153 CCC=CC(=O)NCC1CCCC1 240690a_100000737975_100000212282 [0,2,0,0,0,0|2,0,0]=4 5076 B13R1.153 CCC=CC(=O)NCC1OCCO1 11a_100000036311_100000212282 [0,2,0,0,0,0|2,0,0]=4 5077 B13R1.153 CCC=CC(=O)NCC1OCCO1 1626a_100000036311_100000212282 [0,2,0,0,0,0|2,0,0]=4 5078 B13R1.153 CCC=CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000212282 [0,2,0,0,0,0|1,0,0]=3 5079 B13R1.153 CCC=CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000212282 [0,2,0,0,0,0|1,0,0]=3 5080 B13R1.153 CCC=CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000212282 [0,2,0,0,0,0|1,0,0]=3 5081 B13R1.153 CCCCC(=O)CCC1CCCC1 1458a_100000210183_100000760354 [0,2,0,0,0,0|2,0,0]=4 5082 B13R1.153 CCCCC(=O)CCC1CCCC1 1458a_100000211120_100000210211 [0,2,0,0,0,0|2,0,0]=4 5083 B13R1.153 CCCCC(=O)CCC1CCCO1 1458a_100011247709_100000210211 [0,2,0,0,0,0|1,0,0]=3 5084 B13R1.153 CCCCC(=O)CCC1OCCO1 1458a_100000082924_100000210211 [0,2,0,0,0,0|2,0,0]=4 5085 B13R1.153 CCCCC(=O)CCC1OCCO1 1458a_100000210183_100000740749 [0,2,0,0,0,0|2,0,0]=4 5086 B13R1.153 CCCCC(=O)CCN1CCCO1 1458a_200015187630_100000210211 [0,2,0,0,0,0|2,0,0]=4 5087 B13R1.153 CCCCC(=O)NCC1CCCC1 11a_100000737975_100000210183 [0,2,0,0,0,0|2,0,0]=4 5088 B13R1.153 CCCCC(=O)NCC1CCCC1 1626a_100000737975_100000210183 [0,2,0,0,0,0|2,0,0]=4 5089 B13R1.153 CCCCC(=O)NCC1CCCC1 240690a_100000737975_100000210183 [0,2,0,0,0,0|2,0,0]=4 5090 B13R1.153 CCCCC(=O)NCC1CCCC1 527a_100000737975_100000210183 [0,2,0,0,0,0|2,0,0]=4 5091 B13R1.153 CCCCC(=O)NCC1OCCO1 11a_100000036311_100000210183 [0,2,0,0,0,0|2,0,0]=4 5092 B13R1.153 CCCCC(=O)NCC1OCCO1 1626a_100000036311_100000210183 [0,2,0,0,0,0|2,0,0]=4 5093 B13R1.153 CCCCC(=O)NCC1OCCO1 527a_100000036311_100000210183 [0,2,0,0,0,0|2,0,0]=4 5094 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210183 [0,2,0,0,0,0|1,0,0]=3 5095 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210183 [0,2,0,0,0,0|1,0,0]=3 5096 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210183 [0,2,0,0,0,0|1,0,0]=3 5097 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210183 [0,2,0,0,0,0|1,0,0]=3 5098 B13R1.153 CCCCC(C)OCC1CCCO1 34a_100000210270_200011215066 [0,2,0,0,0,0|1,0,1]=4 5099 B13R1.153 CCCCC(C)OCC1CCCO1 7a_100000210270_200011215066 [0,2,0,0,0,0|1,0,1]=4 5100 B13R1.153 CCCCC(C)OCC1CCCO1 7a_100000687866_100000203698 [0,2,0,0,0,0|1,0,1]=4 5101 B13R1.153 CCCNC(=O)CCC1CCCC1 11a_100020643023_100000211120 [0,2,0,0,0,0|2,0,0]=4 5102 B13R1.153 CCCNC(=O)CCC1CCCC1 1626a_100020643023_100000211120 [0,2,0,0,0,0|2,0,0]=4 5103 B13R1.153 CCCNC(=O)CCC1CCCC1 240690a_100020643023_100000211120 [0,2,0,0,0,0|2,0,0]=4 5104 B13R1.153 CCCNC(=O)CCC1CCCC1 527a_100020643023_100000211120 [0,2,0,0,0,0|2,0,0]=4 5105 B13R1.153 CCCNC(=O)CCC1CCCO1 11a_100020643023_100011247709 [0,2,0,0,0,0|1,0,0]=3 5106 B13R1.153 CCCNC(=O)CCC1CCCO1 1626a_100020643023_100011247709 [0,2,0,0,0,0|1,0,0]=3 5107 B13R1.153 CCCNC(=O)CCC1CCCO1 240690a_100020643023_100011247709 [0,2,0,0,0,0|1,0,0]=3 5108 B13R1.153 CCCNC(=O)CCC1CCCO1 527a_100020643023_100011247709 [0,2,0,0,0,0|1,0,0]=3 5109 B13R1.153 CCCNC(=O)CCN1CCCO1 240690a_100020643023_200015187630 [0,2,0,0,0,0|2,0,0]=4 5110 B13R1.153 CCCNC(=O)COC1CCCO1 34a_100000085407_100000183358 [0,2,0,0,0,0|2,0,0]=4 5111 B13R1.153 CCCNC(=O)NCC1CCCC1 2708a_100000737975_100020643023 [0,2,0,0,0,0|2,0,0]=4 5112 B13R1.153 CCCNC(=O)NCC1CCCC1 2708a_100020643023_100000737975 [0,2,0,0,0,0|2,0,0]=4 5113 B13R1.153 CCCNC(=O)NCC1CCCC1 273464a_100000737975_100020643023 [0,2,0,0,0,0|2,0,0]=4 5114 B13R1.153 CCCNC(=O)NCC1CCCC1 273464a_100020643023_100000737975 [0,2,0,0,0,0|2,0,0]=4 5115 B13R1.153 CCCNC(=O)NCC1CCCC1 512a_100000737975_100020643023 [0,2,0,0,0,0|2,0,0]=4 5116 B13R1.153 CCCNC(=O)NCC1CCCC1 512a_100020643023_100000737975 [0,2,0,0,0,0|2,0,0]=4 5117 B13R1.153 CCCNC(=O)NCC1OCCO1 2708a_100000036311_100020643023 [0,2,0,0,0,0|2,0,0]=4 5118 B13R1.153 CCCNC(=O)NCC1OCCO1 2708a_100020643023_100000036311 [0,2,0,0,0,0|2,0,0]=4 5119 B13R1.153 CCCNC(=O)NCC1OCCO1 273464a_100000036311_100020643023 [0,2,0,0,0,0|2,0,0]=4 5120 B13R1.153 CCCNC(=O)NCC1OCCO1 273464a_100020643023_100000036311 [0,2,0,0,0,0|2,0,0]=4 5121 B13R1.153 CCCNC(=O)NCC1OCCO1 512a_100000036311_100020643023 [0,2,0,0,0,0|2,0,0]=4 5122 B13R1.153 CCCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100020643023 [0,2,0,0,0,0|1,0,0]=3 5123 B13R1.153 CCCNC(=O)NC[C@@H]1CCCO1 2708a_100020643023_100020590478 [0,2,0,0,0,0|1,0,0]=3 5124 B13R1.153 CCCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100020643023 [0,2,0,0,0,0|1,0,0]=3 5125 B13R1.153 CCCNC(=O)NC[C@@H]1CCCO1 273464a_100020643023_100020590478 [0,2,0,0,0,0|1,0,0]=3 5126 B13R1.153 CCCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100020643023 [0,2,0,0,0,0|1,0,0]=3 5127 B13R1.153 CCCOC(=O)COC1CCCO1 34a_100000085407_200011215008 [0,2,0,0,0,0|2,0,0]=4 5128 B13R1.153 CCCOC(=O)OCN1CCCC1 269982a_100000188435_200000139673 [0,2,0,0,0,0|2,0,0]=4 5129 B13R1.153 CCNCC(=O)NCC1CCCO1 2230a_100015525214_100000182893 [0,2,0,0,0,0|1,0,0]=3 5130 B13R1.153 CCNNC(=O)CCC1CCCC1 22a_100000756455_100000211120 [0,2,0,0,0,0|2,0,0]=4 5131 B13R1.153 CCNNC(=O)CCC1CCCO1 22a_100000756455_100011247709 [0,2,0,0,0,0|1,0,0]=3 5132 B13R1.153 CCNNC(=O)CCC1OCCO1 22a_100000756455_100000082924 [0,2,0,0,0,0|2,0,0]=4 5133 B13R1.153 CCNNC(=O)NCC1CCCC1 273464a_100000737975_100000756455 [0,2,0,0,0,0|2,0,0]=4 5134 B13R1.153 CCNNC(=O)NCC1CCCC1 512a_100000737975_100000756455 [0,2,0,0,0,0|2,0,0]=4 5135 B13R1.153 CCNNC(=O)NCC1CCCC1 512a_100000756455_100000737975 [0,2,0,0,0,0|2,0,0]=4 5136 B13R1.153 CCNNC(=O)NCC1OCCO1 273464a_100000036311_100000756455 [0,2,0,0,0,0|2,0,0]=4 5137 B13R1.153 CCNNC(=O)NCC1OCCO1 512a_100000036311_100000756455 [0,2,0,0,0,0|2,0,0]=4 5138 B13R1.153 CCNNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100000756455 [0,2,0,0,0,0|1,0,0]=3 5139 B13R1.153 CCNNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100000756455 [0,2,0,0,0,0|1,0,0]=3 5140 B13R1.153 CCOCC(=O)CCC1CCCC1 1458a_100000211967_100000760354 [0,2,0,0,0,0|2,0,0]=4 5141 B13R1.153 CCOCC(=O)CCC1OCCO1 1458a_100000211967_100000740749 [0,2,0,0,0,0|2,0,0]=4 5142 B13R1.153 CCOCC(=O)NCC1CCCC1 11a_100000737975_100000211967 [0,2,0,0,0,0|2,0,0]=4 5143 B13R1.153 CCOCC(=O)NCC1CCCC1 1626a_100000737975_100000211967 [0,2,0,0,0,0|2,0,0]=4 5144 B13R1.153 CCOCC(=O)NCC1CCCC1 240690a_100000737975_100000211967 [0,2,0,0,0,0|2,0,0]=4 5145 B13R1.153 CCOCC(=O)NCC1CCCC1 527a_100000737975_100000211967 [0,2,0,0,0,0|2,0,0]=4 5146 B13R1.153 CCOCC(=O)NCC1OCCO1 11a_100000036311_100000211967 [0,2,0,0,0,0|2,0,0]=4 5147 B13R1.153 CCOCC(=O)NCC1OCCO1 1626a_100000036311_100000211967 [0,2,0,0,0,0|2,0,0]=4 5148 B13R1.153 CCOCC(=O)NCC1OCCO1 527a_100000036311_100000211967 [0,2,0,0,0,0|2,0,0]=4 5149 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211967 [0,2,0,0,0,0|1,0,0]=3 5150 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211967 [0,2,0,0,0,0|1,0,0]=3 5151 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211967 [0,2,0,0,0,0|1,0,0]=3 5152 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211967 [0,2,0,0,0,0|1,0,0]=3 5153 B13R1.153 CCOCC(C)OCC1CCCO1 7a_100000718985_100000203698 [0,2,0,0,0,0|1,0,1]=4 5154 B13R1.153 CCSCC(=O)CCC1CCCC1 1458a_100000230394_100000760354 [0,2,0,0,0,0|2,0,0]=4 5155 B13R1.153 CCSCC(=O)CCC1OCCO1 1458a_100000230394_100000740749 [0,2,0,0,0,0|2,0,0]=4 5156 B13R1.153 CCSCC(=O)NCC1CCCC1 11a_100000737975_100000230394 [0,2,0,0,0,0|2,0,0]=4 5157 B13R1.153 CCSCC(=O)NCC1CCCC1 1626a_100000737975_100000230394 [0,2,0,0,0,0|2,0,0]=4 5158 B13R1.153 CCSCC(=O)NCC1CCCC1 240690a_100000737975_100000230394 [0,2,0,0,0,0|2,0,0]=4 5159 B13R1.153 CCSCC(=O)NCC1CCCC1 527a_100000737975_100000230394 [0,2,0,0,0,0|2,0,0]=4 5160 B13R1.153 CCSCC(=O)NCC1CCCO1 62a_100000182893_100000210202 [0,2,0,0,0,0|1,0,0]=3 5161 B13R1.153 CCSCC(=O)NCC1CCCO1 62a_100000210202_100000182893 [0,2,0,0,0,0|1,0,0]=3 5162 B13R1.153 CCSCC(=O)NCC1OCCO1 11a_100000036311_100000230394 [0,2,0,0,0,0|2,0,0]=4 5163 B13R1.153 CCSCC(=O)NCC1OCCO1 1626a_100000036311_100000230394 [0,2,0,0,0,0|2,0,0]=4 5164 B13R1.153 CCSCC(=O)NCC1OCCO1 527a_100000036311_100000230394 [0,2,0,0,0,0|2,0,0]=4 5165 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000230394 [0,2,0,0,0,0|1,0,0]=3 5166 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000230394 [0,2,0,0,0,0|1,0,0]=3 5167 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000230394 [0,2,0,0,0,0|1,0,0]=3 5168 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000230394 [0,2,0,0,0,0|1,0,0]=3 5169 B13R1.153 COC=CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100016268678 [0,2,0,0,0,0|1,0,1]=4 5170 B13R1.153 COC=CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100016268678 [0,2,0,0,0,0|1,0,1]=4 5171 B13R1.153 COCCC(=O)CCC1CCCC1 1458a_100000211120_100000233755 [0,2,0,0,0,0|2,0,0]=4 5172 B13R1.153 COCCC(=O)CCC1CCCC1 1458a_100000749529_100000760354 [0,2,0,0,0,0|2,0,0]=4 5173 B13R1.153 COCCC(=O)CCC1CCCO1 1458a_100011247709_100000233755 [0,2,0,0,0,0|1,0,0]=3 5174 B13R1.153 COCCC(=O)CCC1OCCO1 1458a_100000082924_100000233755 [0,2,0,0,0,0|2,0,0]=4 5175 B13R1.153 COCCC(=O)CCC1OCCO1 1458a_100000749529_100000740749 [0,2,0,0,0,0|2,0,0]=4 5176 B13R1.153 COCCC(=O)CCN1CCCO1 1458a_200015187630_100000233755 [0,2,0,0,0,0|2,0,0]=4 5177 B13R1.153 COCCC(=O)NCC1CCCC1 11a_100000737975_100000749529 [0,2,0,0,0,0|2,0,0]=4 5178 B13R1.153 COCCC(=O)NCC1CCCC1 1626a_100000737975_100000749529 [0,2,0,0,0,0|2,0,0]=4 5179 B13R1.153 COCCC(=O)NCC1CCCC1 240690a_100000737975_100000749529 [0,2,0,0,0,0|2,0,0]=4 5180 B13R1.153 COCCC(=O)NCC1CCCC1 527a_100000737975_100000749529 [0,2,0,0,0,0|2,0,0]=4 5181 B13R1.153 COCCC(=O)NCC1OCCO1 11a_100000036311_100000749529 [0,2,0,0,0,0|2,0,0]=4 5182 B13R1.153 COCCC(=O)NCC1OCCO1 1626a_100000036311_100000749529 [0,2,0,0,0,0|2,0,0]=4 5183 B13R1.153 COCCC(=O)NCC1OCCO1 527a_100000036311_100000749529 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000749529 [0,2,0,0,0,0|1,0,0]=3 5185 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000749529 [0,2,0,0,0,0|1,0,0]=3 5186 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000749529 [0,2,0,0,0,0|1,0,0]=3 5187 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000749529 [0,2,0,0,0,0|1,0,0]=3 5188 B13R1.153 CSCCC(=O)CCC1CCCC1 1458a_100000174002_100000760354 [0,2,0,0,0,0|2,0,0]=4 5189 B13R1.153 CSCCC(=O)CCC1CCCC1 1458a_100000211120_100000751147 [0,2,0,0,0,0|2,0,0]=4 5190 B13R1.153 CSCCC(=O)CCC1CCCO1 1458a_100011247709_100000751147 [0,2,0,0,0,0|1,0,0]=3 5191 B13R1.153 CSCCC(=O)CCC1OCCO1 1458a_100000082924_100000751147 [0,2,0,0,0,0|2,0,0]=4 5192 B13R1.153 CSCCC(=O)CCC1OCCO1 1458a_100000174002_100000740749 [0,2,0,0,0,0|2,0,0]=4 5193 B13R1.153 CSCCC(=O)CCN1CCCO1 1458a_200015187630_100000751147 [0,2,0,0,0,0|2,0,0]=4 5194 B13R1.153 CSCCC(=O)NCC1CCCC1 11a_100000737975_100000174002 [0,2,0,0,0,0|2,0,0]=4 5195 B13R1.153 CSCCC(=O)NCC1CCCC1 1626a_100000737975_100000174002 [0,2,0,0,0,0|2,0,0]=4 5196 B13R1.153 CSCCC(=O)NCC1CCCC1 240690a_100000737975_100000174002 [0,2,0,0,0,0|2,0,0]=4 5197 B13R1.153 CSCCC(=O)NCC1CCCC1 527a_100000737975_100000174002 [0,2,0,0,0,0|2,0,0]=4 5198 B13R1.153 CSCCC(=O)NCC1OCCO1 11a_100000036311_100000174002 [0,2,0,0,0,0|2,0,0]=4 5199 B13R1.153 CSCCC(=O)NCC1OCCO1 1626a_100000036311_100000174002 [0,2,0,0,0,0|2,0,0]=4 5200 B13R1.153 CSCCC(=O)NCC1OCCO1 527a_100000036311_100000174002 [0,2,0,0,0,0|2,0,0]=4 5201 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000174002 [0,2,0,0,0,0|1,0,0]=3 5202 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000174002 [0,2,0,0,0,0|1,0,0]=3 5203 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000174002 [0,2,0,0,0,0|1,0,0]=3 5204 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000174002 [0,2,0,0,0,0|1,0,0]=3 5205 B13R1.153 N#CCCC(=O)CCC1CCCC1 1458a_100000211120_100011215226 [0,2,0,0,0,0|2,0,0]=4 5206 B13R1.153 N#CCCC(=O)CCC1CCCC1 1458a_100011934036_100000760354 [0,2,0,0,0,0|2,0,0]=4 5207 B13R1.153 N#CCCC(=O)CCC1CCCO1 1458a_100011247709_100011215226 [0,2,0,0,0,0|1,0,0]=3 5208 B13R1.153 N#CCCC(=O)CCC1OCCO1 1458a_100000082924_100011215226 [0,2,0,0,0,0|2,0,0]=4 5209 B13R1.153 N#CCCC(=O)CCC1OCCO1 1458a_100011934036_100000740749 [0,2,0,0,0,0|2,0,0]=4 5210 B13R1.153 N#CCCC(=O)CCN1CCCO1 1458a_200015187630_100011215226 [0,2,0,0,0,0|2,0,0]=4 5211 B13R1.153 N#CCCC(=O)NCC1CCCC1 11a_100000737975_100011934036 [0,2,0,0,0,0|2,0,0]=4 5212 B13R1.153 N#CCCC(=O)NCC1CCCC1 1626a_100000737975_100011934036 [0,2,0,0,0,0|2,0,0]=4 5213 B13R1.153 N#CCCC(=O)NCC1CCCC1 240690a_100000737975_100011934036 [0,2,0,0,0,0|2,0,0]=4 5214 B13R1.153 N#CCCC(=O)NCC1CCCC1 527a_100000737975_100011934036 [0,2,0,0,0,0|2,0,0]=4 5215 B13R1.153 N#CCCC(=O)NCC1OCCO1 11a_100000036311_100011934036 [0,2,0,0,0,0|2,0,0]=4 5216 B13R1.153 N#CCCC(=O)NCC1OCCO1 1626a_100000036311_100011934036 [0,2,0,0,0,0|2,0,0]=4 5217 B13R1.153 N#CCCC(=O)NCC1OCCO1 527a_100000036311_100011934036 [0,2,0,0,0,0|2,0,0]=4 5218 B13R1.153 N#CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100011934036 [0,2,0,0,0,0|1,0,0]=3 5219 B13R1.153 N#CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100011934036 [0,2,0,0,0,0|1,0,0]=3 5220 B13R1.153 N#CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100011934036 [0,2,0,0,0,0|1,0,0]=3 5221 B13R1.153 N#CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100011934036 [0,2,0,0,0,0|1,0,0]=3 5222 B13R1.153 N#CCNC(=O)CCC1CCCO1 1626a_100000734998_100011247709 [0,2,0,0,0,0|1,0,1]=4 5223 B13R1.153 N#CCNC(=O)CCC1CCCO1 527a_100000734998_100011247709 [0,2,0,0,0,0|1,0,1]=4 5224 B13R1.153 N#CCNC(=O)NC[C@@H]1CCCO1 2708a_100000734998_100020590478 [0,2,0,0,0,0|1,0,1]=4 5225 B13R1.153 N#CCNC(=O)NC[C@@H]1CCCO1 273464a_100000734998_100020590478 [0,2,0,0,0,0|1,0,1]=4 5226 B13R1.153 N#CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100000734998 [0,2,0,0,0,0|1,0,1]=4 5227 B13R1.153 N#CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100000734998 [0,2,0,0,0,0|1,0,1]=4 5228 B13R1.153 O=C(CCC1CCCC1)NCCF 11a_100000724931_100000211120 [0,2,0,0,0,0|2,0,0]=4 5229 B13R1.153 O=C(CCC1CCCC1)NCCF 1626a_100000724931_100000211120 [0,2,0,0,0,0|2,0,0]=4 5230 B13R1.153 O=C(CCC1CCCC1)NCCF 240690a_100000724931_100000211120 [0,2,0,0,0,0|2,0,0]=4 5231 B13R1.153 O=C(CCC1CCCC1)NCCF 527a_100000724931_100000211120 [0,2,0,0,0,0|2,0,0]=4 5232 B13R1.153 O=C(CCC1CCCC1)NCCO 240690a_100000210304_100000211120 [0,2,0,0,0,0|2,0,0]=4 5233 B13R1.153 O=C(CCC1CCCC1)NCCO 527a_100000210304_100000211120 [0,2,0,0,0,0|2,0,0]=4 5234 B13R1.153 O=C(CCC1CCCO1)NCCF 11a_100000724931_100011247709 [0,2,0,0,0,0|1,0,0]=3 5235 B13R1.153 O=C(CCC1CCCO1)NCCF 1626a_100000724931_100011247709 [0,2,0,0,0,0|1,0,0]=3 5236 B13R1.153 O=C(CCC1CCCO1)NCCF 240690a_100000724931_100011247709 [0,2,0,0,0,0|1,0,0]=3 5237 B13R1.153 O=C(CCC1CCCO1)NCCF 527a_100000724931_100011247709 [0,2,0,0,0,0|1,0,0]=3 5238 B13R1.153 O=C(CCC1CCCO1)NCCO 240690a_100000210304_100011247709 [0,2,0,0,0,0|1,0,0]=3 5239 B13R1.153 O=C(CCC1CCCO1)NCCO 527a_100000210304_100011247709 [0,2,0,0,0,0|1,0,0]=3 5240 B13R1.153 O=C(CCCF)CCC1CCCC1 1458a_100000211120_100011934791 [0,2,0,0,0,0|2,0,0]=4 5241 B13R1.153 O=C(CCCF)CCC1CCCO1 1458a_100011247709_100011934791 [0,2,0,0,0,0|1,0,0]=3 5242 B13R1.153 O=C(CCCF)CCC1OCCO1 1458a_100000082924_100011934791 [0,2,0,0,0,0|2,0,0]=4 5243 B13R1.153 O=C(CCCF)CCN1CCCO1 1458a_200015187630_100011934791 [0,2,0,0,0,0|2,0,0]=4 5244 B13R1.153 O=C(CCCO)CCC1CCCC1 1458a_100000211120_100011215043 [0,2,0,0,0,0|2,0,0]=4 5245 B13R1.153 O=C(CCCO)CCC1CCCO1 1458a_100011247709_100011215043 [0,2,0,0,0,0|1,0,0]=3 5246 B13R1.153 O=C(CCCO)CCC1OCCO1 1458a_100000082924_100011215043 [0,2,0,0,0,0|2,0,0]=4 5247 B13R1.153 O=C(CCCO)CCN1CCCO1 1458a_200015187630_100011215043 [0,2,0,0,0,0|2,0,0]=4 5248 B13R1.153 O=C(CCN1CCCO1)NCCF 240690a_100000724931_200015187630 [0,2,0,0,0,0|2,0,0]=4 5249 B13R1.153 O=C(CCN1CCCO1)NCCO 240690a_100000210304_200015187630 [0,2,0,0,0,0|2,0,0]=4 5250 B13R1.153 O=C(CSCF)NCC1CCCO1 62a_100000182893_100015361967 [0,2,0,0,0,0|1,0,0]=3 5251 B13R1.153 O=C(CSCF)NCC1CCCO1 62a_100015361967_100000182893 [0,2,0,0,0,0|1,0,0]=3 5252 B13R1.153 O=C(NCCF)NCC1CCCC1 2708a_100000737975_100000724931 [0,2,0,0,0,0|2,0,0]=4 5253 B13R1.153 O=C(NCCF)NCC1CCCC1 273464a_100000724931_100000737975 [0,2,0,0,0,0|2,0,0]=4 5254 B13R1.153 O=C(NCCF)NCC1CCCC1 273464a_100000737975_100000724931 [0,2,0,0,0,0|2,0,0]=4 5255 B13R1.153 O=C(NCCF)NCC1CCCC1 512a_100000737975_100000724931 [0,2,0,0,0,0|2,0,0]=4 5256 B13R1.153 O=C(NCCF)NCC1OCCO1 2708a_100000036311_100000724931 [0,2,0,0,0,0|2,0,0]=4 5257 B13R1.153 O=C(NCCF)NCC1OCCO1 273464a_100000036311_100000724931 [0,2,0,0,0,0|2,0,0]=4 5258 B13R1.153 O=C(NCCF)NCC1OCCO1 273464a_100000724931_100000036311 [0,2,0,0,0,0|2,0,0]=4 5259 B13R1.153 O=C(NCCF)NCC1OCCO1 512a_100000036311_100000724931 [0,2,0,0,0,0|2,0,0]=4 5260 B13R1.153 O=C(NCCF)NC[C@@H]1CCCO1 2708a_100020590478_100000724931 [0,2,0,0,0,0|1,0,0]=3 5261 B13R1.153 O=C(NCCF)NC[C@@H]1CCCO1 273464a_100000724931_100020590478 [0,2,0,0,0,0|1,0,0]=3 5262 B13R1.153 O=C(NCCF)NC[C@@H]1CCCO1 273464a_100020590478_100000724931 [0,2,0,0,0,0|1,0,0]=3 5263 B13R1.153 O=C(NCCF)NC[C@@H]1CCCO1 512a_100020590478_100000724931 [0,2,0,0,0,0|1,0,0]=3 5264 B13R1.153 O=C(NCCO)NCC1CCCC1 2708a_100000737975_100000210304 [0,2,0,0,0,0|2,0,0]=4 5265 B13R1.153 O=C(NCCO)NCC1CCCC1 273464a_100000210304_100000737975 [0,2,0,0,0,0|2,0,0]=4 5266 B13R1.153 O=C(NCCO)NCC1CCCC1 273464a_100000737975_100000210304 [0,2,0,0,0,0|2,0,0]=4 5267 B13R1.153 O=C(NCCO)NCC1CCCC1 512a_100000737975_100000210304 [0,2,0,0,0,0|2,0,0]=4 5268 B13R1.153 O=C(NCCO)NCC1OCCO1 2708a_100000036311_100000210304 [0,2,0,0,0,0|2,0,0]=4 5269 B13R1.153 O=C(NCCO)NCC1OCCO1 273464a_100000036311_100000210304 [0,2,0,0,0,0|2,0,0]=4 5270 B13R1.153 O=C(NCCO)NCC1OCCO1 273464a_100000210304_100000036311 [0,2,0,0,0,0|2,0,0]=4 5271 B13R1.153 O=C(NCCO)NCC1OCCO1 512a_100000036311_100000210304 [0,2,0,0,0,0|2,0,0]=4 5272 B13R1.153 O=C(NCCO)NC[C@@H]1CCCO1 2708a_100020590478_100000210304 [0,2,0,0,0,0|1,0,0]=3 5273 B13R1.153 O=C(NCCO)NC[C@@H]1CCCO1 273464a_100000210304_100020590478 [0,2,0,0,0,0|1,0,0]=3 5274 B13R1.153 O=C(NCCO)NC[C@@H]1CCCO1 273464a_100020590478_100000210304 [0,2,0,0,0,0|1,0,0]=3 5275 B13R1.153 O=C(NCCO)NC[C@@H]1CCCO1 512a_100020590478_100000210304 [0,2,0,0,0,0|1,0,0]=3 5276 B13R1.153 [N-]=[N+]=NCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000751907 [0,2,0,0,0,0|2,0,0]=4 5277 B13R1.153 [N-]=[N+]=NCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000751907 [0,2,0,0,0,0|2,0,0]=4 5278 B13R1.444 CCCC(=O)CCC1CCCN1C 1458a_100000211992_100000005710 [0,2,0,0,0,0|2,0,0]=4 5279 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000211992 [0,2,0,0,0,0|2,0,0]=4 5280 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000211992 [0,2,0,0,0,0|2,0,0]=4 5281 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 2230a_100020605311_100000034017 [0,2,0,0,0,0|2,0,0]=4 5282 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000034017 [0,2,0,0,0,0|2,0,0]=4 5283 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 2230a_100015189458_100000034017 [0,2,0,0,0,0|2,0,0]=4 5284 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000034017 [0,2,0,0,0,0|2,0,0]=4 5285 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 34a_100015189458_100000034017 [0,2,0,0,0,0|2,0,0]=4 5286 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_100015525214 [0,2,0,0,0,0|2,0,0]=4 5287 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 2708a_100015525214_100009821018 [0,2,0,0,0,0|2,0,0]=4 5288 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100015525214 [0,2,0,0,0,0|2,0,0]=4 5289 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 273464a_100015525214_100009821018 [0,2,0,0,0,0|2,0,0]=4 5290 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100015525214 [0,2,0,0,0,0|2,0,0]=4 5291 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 512a_100015525214_100009821018 [0,2,0,0,0,0|2,0,0]=4 5292 B13R1.444 CN1CCCC1CCC(=O)CCO 1458a_100011216618_100000005710 [0,2,0,0,0,0|2,0,0]=4 5293 B13R1.444 CN1CCC[C@H]1CNC(=O)CCO 240690a_100009821018_100011216618 [0,2,0,0,0,0|2,0,0]=4 5294 B13R1.444 COCC(=O)CCC1CCCN1C 1458a_100000210968_100000005710 [0,2,0,0,0,0|2,0,0]=4 5295 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210968 [0,2,0,0,0,0|2,0,0]=4 5296 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210968 [0,2,0,0,0,0|2,0,0]=4 5297 B13R1.444 CSCC(=O)CCC1CCCN1C 1458a_100000184570_100000005710 [0,2,0,0,0,0|2,0,0]=4 5298 B13R1.444 CSCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000184570 [0,2,0,0,0,0|2,0,0]=4 5299 B13R1.444 CSCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000184570 [0,2,0,0,0,0|2,0,0]=4 5300 B13R1.593 C=C(C)CC(=O)CCC1CCCC1 1458a_100000211120_100000748629 [0,2,0,0,0,0|2,0,0]=4 5301 B13R1.593 C=C(C)CC(=O)CCC1CCCO1 1458a_100011247709_100000748629 [0,2,0,0,0,0|1,0,0]=3 5302 B13R1.593 C=C(C)CC(=O)CCC1OCCO1 1458a_100000082924_100000748629 [0,2,0,0,0,0|2,0,0]=4 5303 B13R1.593 C=C(C)CC(=O)CCN1CCCO1 1458a_200015187630_100000748629 [0,2,0,0,0,0|2,0,0]=4 5304 B13R1.593 C=C(F)CC(=O)CCC1CCCO1 1458a_100011247709_100009893438 [0,2,0,0,0,0|1,0,1]=4 5305 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)C 11a_100020590478_100000211388 [0,2,0,0,0,0|1,0,1]=4 5306 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)C 1626a_100020590478_100000211388 [0,2,0,0,0,0|1,0,1]=4 5307 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)C 240690a_100020590478_100000211388 [0,2,0,0,0,0|1,0,1]=4 5308 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)Cl 11a_100020590478_200042562850 [0,2,0,0,0,0|1,0,1]=4 5309 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)Cl 1626a_100020590478_200042562850 [0,2,0,0,0,0|1,0,1]=4 5310 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)Cl 240690a_100020590478_200042562850 [0,2,0,0,0,0|1,0,1]=4 5311 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)I 11a_100020590478_100025716642 [0,2,0,0,0,0|1,0,1]=4 5312 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)I 1626a_100020590478_100025716642 [0,2,0,0,0,0|1,0,1]=4 5313 B13R1.593 CC(=O)CC(=O)NCC1CCCO1 1458a_100000070787_100000182893 [0,2,0,0,0,0|1,0,0]=3 5314 B13R1.593 CC(C)CC(=O)CCC1CCCC1 1458a_100000210554_100000760354 [0,2,0,0,0,0|2,0,0]=4 5315 B13R1.593 CC(C)CC(=O)CCC1CCCC1 1458a_100000211120_100000210624 [0,2,0,0,0,0|2,0,0]=4 5316 B13R1.593 CC(C)CC(=O)CCC1CCCO1 1458a_100011247709_100000210624 [0,2,0,0,0,0|1,0,0]=3 5317 B13R1.593 CC(C)CC(=O)CCC1OCCO1 1458a_100000082924_100000210624 [0,2,0,0,0,0|2,0,0]=4 5318 B13R1.593 CC(C)CC(=O)CCC1OCCO1 1458a_100000210554_100000740749 [0,2,0,0,0,0|2,0,0]=4 5319 B13R1.593 CC(C)CC(=O)CCN1CCCO1 1458a_200015187630_100000210624 [0,2,0,0,0,0|2,0,0]=4 5320 B13R1.593 CC(C)CC(=O)NCC1CCCC1 11a_100000737975_100000210554 [0,2,0,0,0,0|2,0,0]=4 5321 B13R1.593 CC(C)CC(=O)NCC1CCCC1 1626a_100000737975_100000210554 [0,2,0,0,0,0|2,0,0]=4 5322 B13R1.593 CC(C)CC(=O)NCC1CCCC1 240690a_100000737975_100000210554 [0,2,0,0,0,0|2,0,0]=4 5323 B13R1.593 CC(C)CC(=O)NCC1CCCC1 527a_100000737975_100000210554 [0,2,0,0,0,0|2,0,0]=4 5324 B13R1.593 CC(C)CC(=O)NCC1OCCO1 11a_100000036311_100000210554 [0,2,0,0,0,0|2,0,0]=4 5325 B13R1.593 CC(C)CC(=O)NCC1OCCO1 1626a_100000036311_100000210554 [0,2,0,0,0,0|2,0,0]=4 5326 B13R1.593 CC(C)CC(=O)NCC1OCCO1 527a_100000036311_100000210554 [0,2,0,0,0,0|2,0,0]=4 5327 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210554 [0,2,0,0,0,0|1,0,0]=3 5328 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210554 [0,2,0,0,0,0|1,0,0]=3 5329 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210554 [0,2,0,0,0,0|1,0,0]=3 5330 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210554 [0,2,0,0,0,0|1,0,0]=3 5331 B13R1.593 CC(C)CC(C)OCC1CCCO1 34a_100000210270_100000731052 [0,2,0,0,0,0|1,0,1]=4 5332 B13R1.593 CC(C)CC(C)OCC1CCCO1 7a_100000210270_100000731052 [0,2,0,0,0,0|1,0,1]=4 5333 B13R1.593 CC(C)CC(C)OCC1CCCO1 7a_100000211805_100000203698 [0,2,0,0,0,0|1,0,1]=4 5334 B13R1.593 CC(C)NC(=O)CCC1CCCC1 11a_100138425928_100000211120 [0,2,0,0,0,0|2,0,0]=4 5335 B13R1.593 CC(C)NC(=O)CCC1CCCC1 1626a_100138425928_100000211120 [0,2,0,0,0,0|2,0,0]=4 5336 B13R1.593 CC(C)NC(=O)CCC1CCCC1 240690a_100138425928_100000211120 [0,2,0,0,0,0|2,0,0]=4 5337 B13R1.593 CC(C)NC(=O)CCC1CCCC1 527a_100138425928_100000211120 [0,2,0,0,0,0|2,0,0]=4 5338 B13R1.593 CC(C)NC(=O)CCC1CCCO1 11a_100138425928_100011247709 [0,2,0,0,0,0|1,0,0]=3 5339 B13R1.593 CC(C)NC(=O)CCC1CCCO1 1626a_100138425928_100011247709 [0,2,0,0,0,0|1,0,0]=3 5340 B13R1.593 CC(C)NC(=O)CCC1CCCO1 240690a_100138425928_100011247709 [0,2,0,0,0,0|1,0,0]=3 5341 B13R1.593 CC(C)NC(=O)CCC1CCCO1 527a_100138425928_100011247709 [0,2,0,0,0,0|1,0,0]=3 5342 B13R1.593 CC(C)NC(=O)CCN1CCCO1 240690a_100138425928_200015187630 [0,2,0,0,0,0|2,0,0]=4 5343 B13R1.593 CC(C)NC(=O)COC1CCCO1 34a_100000085407_100000183996 [0,2,0,0,0,0|2,0,0]=4 5344 B13R1.593 CC(C)NC(=O)NCC1CCCC1 2708a_100000737975_100138425928 [0,2,0,0,0,0|2,0,0]=4 5345 B13R1.593 CC(C)NC(=O)NCC1CCCC1 2708a_100138425928_100000737975 [0,2,0,0,0,0|2,0,0]=4 5346 B13R1.593 CC(C)NC(=O)NCC1CCCC1 273464a_100138425928_100000737975 [0,2,0,0,0,0|2,0,0]=4 5347 B13R1.593 CC(C)NC(=O)NCC1CCCC1 512a_100000737975_100138425928 [0,2,0,0,0,0|2,0,0]=4 5348 B13R1.593 CC(C)NC(=O)NCC1CCCC1 512a_100138425928_100000737975 [0,2,0,0,0,0|2,0,0]=4 5349 B13R1.593 CC(C)NC(=O)NCC1OCCO1 2708a_100000036311_100138425928 [0,2,0,0,0,0|2,0,0]=4 5350 B13R1.593 CC(C)NC(=O)NCC1OCCO1 2708a_100138425928_100000036311 [0,2,0,0,0,0|2,0,0]=4 5351 B13R1.593 CC(C)NC(=O)NCC1OCCO1 273464a_100138425928_100000036311 [0,2,0,0,0,0|2,0,0]=4 5352 B13R1.593 CC(C)NC(=O)NCC1OCCO1 512a_100000036311_100138425928 [0,2,0,0,0,0|2,0,0]=4 5353 B13R1.593 CC(C)NC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100138425928 [0,2,0,0,0,0|1,0,0]=3 5354 B13R1.593 CC(C)NC(=O)NC[C@@H]1CCCO1 2708a_100138425928_100020590478 [0,2,0,0,0,0|1,0,0]=3 5355 B13R1.593 CC(C)NC(=O)NC[C@@H]1CCCO1 273464a_100138425928_100020590478 [0,2,0,0,0,0|1,0,0]=3 5356 B13R1.593 CC(C)NC(=O)NC[C@@H]1CCCO1 512a_100020590478_100138425928 [0,2,0,0,0,0|1,0,0]=3 5357 B13R1.593 CC(C)OC(=O)COC1CCCO1 34a_100000085407_100011215430 [0,2,0,0,0,0|2,0,0]=4 5358 B13R1.593 CC(C)OC(=O)OCN1CCCC1 269982a_100000188435_100010125566 [0,2,0,0,0,0|2,0,0]=4 5359 B13R1.593 CC(O)CC(=O)CCC1CCCC1 1458a_100000211120_100011218427 [0,2,0,0,0,0|2,0,0]=4 5360 B13R1.593 CC(O)CC(=O)CCC1CCCO1 1458a_100011247709_100011218427 [0,2,0,0,0,0|1,0,0]=3 5361 B13R1.593 CC(O)CC(=O)CCC1OCCO1 1458a_100000082924_100011218427 [0,2,0,0,0,0|2,0,0]=4 5362 B13R1.593 CC(O)CC(=O)CCN1CCCO1 1458a_200015187630_100011218427 [0,2,0,0,0,0|2,0,0]=4 5363 B13R1.593 CN(C)CC(=O)CCC1CCCC1 1458a_100000750896_100000760354 [0,2,0,0,0,0|2,0,0]=4 5364 B13R1.593 CN(C)CC(=O)CCC1OCCO1 1458a_100000750896_100000740749 [0,2,0,0,0,0|2,0,0]=4 5365 B13R1.593 CN(C)CC(=O)NCC1CCCC1 11a_100000737975_100000750896 [0,2,0,0,0,0|2,0,0]=4 5366 B13R1.593 CN(C)CC(=O)NCC1CCCC1 240690a_100000737975_100000750896 [0,2,0,0,0,0|2,0,0]=4 5367 B13R1.593 CN(C)CC(=O)NCC1CCCC1 527a_100000737975_100000750896 [0,2,0,0,0,0|2,0,0]=4 5368 B13R1.593 CN(C)CC(=O)NCC1CCCO1 2230a_100102631434_100000182893 [0,2,0,0,0,0|1,0,0]=3 5369 B13R1.593 CN(C)CC(=O)NCC1CCCO1 269982a_100102631434_100000182893 [0,2,0,0,0,0|1,0,0]=3 5370 B13R1.593 CN(C)CC(=O)NCC1OCCO1 11a_100000036311_100000750896 [0,2,0,0,0,0|2,0,0]=4 5371 B13R1.593 CN(C)CC(=O)NCC1OCCO1 527a_100000036311_100000750896 [0,2,0,0,0,0|2,0,0]=4 5372 B13R1.593 CN(C)CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000750896 [0,2,0,0,0,0|1,0,0]=3 5373 B13R1.593 CN(C)CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000750896 [0,2,0,0,0,0|1,0,0]=3 5374 B13R1.593 CN(C)CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000750896 [0,2,0,0,0,0|1,0,0]=3 5375 B13R1.593 C[C@@H](O)CC(=O)CCC1CCCC1 1458a_100011933948_100000760354 [0,2,0,0,0,0|2,0,0]=4 5376 B13R1.593 C[C@@H](O)CC(=O)CCC1OCCO1 1458a_100011933948_100000740749 [0,2,0,0,0,0|2,0,0]=4 5377 B13R1.593 C[C@@H](O)CC(=O)NCC1CCCC1 240690a_100000737975_100011933948 [0,2,0,0,0,0|2,0,0]=4 5378 B13R1.593 C[C@@H](O)CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100011933948 [0,2,0,0,0,0|1,0,0]=3 5379 B13R1.593 C[S+](C)CC(=O)CCC1CCCC1 1458a_200159257847_100000760354 [0,2,0,0,0,0|2,0,0]=4 5380 B13R1.593 C[S+](C)CC(=O)CCC1OCCO1 1458a_200159257847_100000740749 [0,2,0,0,0,0|2,0,0]=4 5381 B13R1.593 C[S+](C)CC(=O)NCC1CCCC1 11a_100000737975_200159257847 [0,2,0,0,0,0|2,0,0]=4 5382 B13R1.593 C[S+](C)CC(=O)NCC1CCCC1 1626a_100000737975_200159257847 [0,2,0,0,0,0|2,0,0]=4 5383 B13R1.593 C[S+](C)CC(=O)NCC1CCCC1 240690a_100000737975_200159257847 [0,2,0,0,0,0|2,0,0]=4 5384 B13R1.593 C[S+](C)CC(=O)NCC1CCCC1 527a_100000737975_200159257847 [0,2,0,0,0,0|2,0,0]=4 5385 B13R1.593 C[S+](C)CC(=O)NCC1OCCO1 11a_100000036311_200159257847 [0,2,0,0,0,0|2,0,0]=4 5386 B13R1.593 C[S+](C)CC(=O)NCC1OCCO1 1626a_100000036311_200159257847 [0,2,0,0,0,0|2,0,0]=4 5387 B13R1.593 C[S+](C)CC(=O)NCC1OCCO1 527a_100000036311_200159257847 [0,2,0,0,0,0|2,0,0]=4 5388 B13R1.593 C[S+](C)CC(=O)NC[C@@H]1CCCO1 11a_100020590478_200159257847 [0,2,0,0,0,0|1,0,0]=3 5389 B13R1.593 C[S+](C)CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_200159257847 [0,2,0,0,0,0|1,0,0]=3 5390 B13R1.593 C[S+](C)CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_200159257847 [0,2,0,0,0,0|1,0,0]=3 5391 B13R1.593 C[S+](C)CC(=O)NC[C@@H]1CCCO1 527a_100020590478_200159257847 [0,2,0,0,0,0|1,0,0]=3 5392 B13R1.593 NC(=O)CC(=O)CCC1CCCO1 1458a_100011247709_100000187820 [0,2,0,0,0,0|1,0,1]=4 5393 B13R1.593 NC(=O)CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100134613110 [0,2,0,0,0,0|1,0,1]=4 5394 B13R1.593 NC(=O)CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100134613110 [0,2,0,0,0,0|1,0,1]=4 5395 B13R1.593 O=C(CCC1CCCC1)CC(F)F 1458a_100000211120_100011934356 [0,2,0,0,0,0|2,0,0]=4 5396 B13R1.593 O=C(CCC1CCCO1)CC(F)F 1458a_100011247709_100011934356 [0,2,0,0,0,0|1,0,0]=3 5397 B13R1.593 O=C(CCC1CCCO1)C[N+](=O)[O-] 1458a_100011247709_100000761209 [0,2,0,0,0,0|2,0,0]=4 5398 B13R1.593 O=C(CCC1OCCO1)CC(F)F 1458a_100000082924_100011934356 [0,2,0,0,0,0|2,0,0]=4 5399 B13R1.593 O=C(CCN1CCCO1)CC(F)F 1458a_200015187630_100011934356 [0,2,0,0,0,0|2,0,0]=4 5400 B13R1.593 O=C([O-])CC(=O)CCC1CCCO1 1458a_100011247709_100020667443 [0,2,0,0,0,0|1,0,1]=4 5401 B13R1.694 C#CC(CCC)OCC1CCCO1 7a_200011217317_100000203698 [0,2,0,0,0,0|1,0,1]=4 5402 B13R1.694 C#CCC(CC)OCC1CCCO1 7a_200011217983_100000203698 [0,2,0,0,0,0|1,0,1]=4 5403 B13R1.694 C=CC(CCC)OCC1CCCO1 7a_100011216692_100000203698 [0,2,0,0,0,0|1,0,1]=4 5404 B13R1.694 CC#CC(CC)OCC1CCCO1 7a_200011219922_100000203698 [0,2,0,0,0,0|1,0,1]=4 5405 B13R1.694 CCC(COC)OCC1CCCO1 7a_200011214946_100000203698 [0,2,0,0,0,0|0,0,2]=4 5406 B13R1.694 CCCC(C#N)OCC1CCCO1 7a_100000686963_100000203698 [0,2,0,0,0,0|1,0,1]=4 5407 B13R1.694 CCCC(CC)OCC1CCCO1 7a_100000210270_100011219200 [0,2,0,0,0,0|1,0,1]=4 5408 B13R1.694 CCCC(CC)OCC1CCCO1 7a_100000687864_100000203698 [0,2,0,0,0,0|1,0,1]=4 5409 B13R1.1330 CC(C)(CCBr)OCC1CCCO1 7a_100000702414_100000203698 [0,2,0,0,0,0|1,0,1]=4 5410 B13R1.1330 CCCC(C)(C)OCC1CCCO1 7a_100000748436_100000203698 [0,2,0,0,0,0|1,0,1]=4 5411 B13R1.1330 CCCS(=O)(=O)NC[C@@H]1CCCO1 270084a_100020590478_100000211391 [0,2,0,0,0,0|2,0,0]=4 5412 B13R1.1330 CCCS(=O)(=O)NC[C@@H]1CCCO1 274078a_100020590478_100000211391 [0,2,0,0,0,0|2,0,0]=4 5413 B13R1.1330 CCCS(=O)(=O)NC[C@@H]1CCCO1 40a_100020590478_100000054278 [0,2,0,0,0,0|2,0,0]=4 5414 B13R1.1330 O=S(=O)(CCBr)NC[C@@H]1CCCO1 270084a_100020590478_100000731045 [0,2,0,0,0,0|2,0,0]=4 5415 B13R1.1330 O=S(=O)(CCBr)NC[C@@H]1CCCO1 274078a_100020590478_100000731045 [0,2,0,0,0,0|2,0,0]=4 5416 B13R1.1330 O=S(=O)(CCCl)NC[C@@H]1CCCO1 270084a_100020590478_100000184613 [0,2,0,0,0,0|2,0,0]=4 5417 B13R1.1330 O=S(=O)(CCCl)NC[C@@H]1CCCO1 274078a_100020590478_100000184613 [0,2,0,0,0,0|2,0,0]=4 5418 B13R1.1483 CC1(OCCO1)CCC(=O)CCO 1458a_100011216618_100000758764 [0,2,0,0,0,0|2,0,0]=4 5419 B13R1.1483 CC1(OCCO1)CNC(=O)CCO 240690a_100000691740_100011216618 [0,2,0,0,0,0|2,0,0]=4 5420 B13R1.1483 CCCC(=O)CCC1(OCCO1)C 1458a_100000211992_100000758764 [0,2,0,0,0,0|2,0,0]=4 5421 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 11a_100000737848_100000211992 [0,2,0,0,0,0|2,0,0]=4 5422 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 1626a_100000737848_100000211992 [0,2,0,0,0,0|2,0,0]=4 5423 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 240690a_100000737848_100000211992 [0,2,0,0,0,0|2,0,0]=4 5424 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 527a_100000737848_100000211992 [0,2,0,0,0,0|2,0,0]=4 5425 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 11a_100000691740_100000211992 [0,2,0,0,0,0|2,0,0]=4 5426 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000211992 [0,2,0,0,0,0|2,0,0]=4 5427 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000211992 [0,2,0,0,0,0|2,0,0]=4 5428 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 527a_100000691740_100000211992 [0,2,0,0,0,0|2,0,0]=4 5429 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 2708a_100000737848_100015525214 [0,2,0,0,0,0|2,0,0]=4 5430 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 2708a_100015525214_100000737848 [0,2,0,0,0,0|2,0,0]=4 5431 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 273464a_100015525214_100000737848 [0,2,0,0,0,0|2,0,0]=4 5432 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 512a_100000737848_100015525214 [0,2,0,0,0,0|2,0,0]=4 5433 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 512a_100015525214_100000737848 [0,2,0,0,0,0|2,0,0]=4 5434 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 2708a_100000691740_100015525214 [0,2,0,0,0,0|2,0,0]=4 5435 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 2708a_100015525214_100000691740 [0,2,0,0,0,0|2,0,0]=4 5436 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 273464a_100000691740_100015525214 [0,2,0,0,0,0|2,0,0]=4 5437 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 273464a_100015525214_100000691740 [0,2,0,0,0,0|2,0,0]=4 5438 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 512a_100000691740_100015525214 [0,2,0,0,0,0|2,0,0]=4 5439 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 512a_100015525214_100000691740 [0,2,0,0,0,0|2,0,0]=4 5440 B13R1.1483 COCC(=O)CCC1(OCCO1)C 1458a_100000210968_100000758764 [0,2,0,0,0,0|2,0,0]=4 5441 B13R1.1483 COCC(=O)NCC1(CCCC1)O 11a_100000737848_100000210968 [0,2,0,0,0,0|2,0,0]=4 5442 B13R1.1483 COCC(=O)NCC1(CCCC1)O 1626a_100000737848_100000210968 [0,2,0,0,0,0|2,0,0]=4 5443 B13R1.1483 COCC(=O)NCC1(CCCC1)O 240690a_100000737848_100000210968 [0,2,0,0,0,0|2,0,0]=4 5444 B13R1.1483 COCC(=O)NCC1(CCCC1)O 527a_100000737848_100000210968 [0,2,0,0,0,0|2,0,0]=4 5445 B13R1.1483 COCC(=O)NCC1(OCCO1)C 11a_100000691740_100000210968 [0,2,0,0,0,0|2,0,0]=4 5446 B13R1.1483 COCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210968 [0,2,0,0,0,0|2,0,0]=4 5447 B13R1.1483 COCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210968 [0,2,0,0,0,0|2,0,0]=4 5448 B13R1.1483 COCC(=O)NCC1(OCCO1)C 527a_100000691740_100000210968 [0,2,0,0,0,0|2,0,0]=4 5449 B13R1.1483 CSCC(=O)CCC1(OCCO1)C 1458a_100000184570_100000758764 [0,2,0,0,0,0|2,0,0]=4 5450 B13R1.1483 CSCC(=O)NCC1(CCCC1)O 11a_100000737848_100000184570 [0,2,0,0,0,0|2,0,0]=4 5451 B13R1.1483 CSCC(=O)NCC1(CCCC1)O 1626a_100000737848_100000184570 [0,2,0,0,0,0|2,0,0]=4 5452 B13R1.1483 CSCC(=O)NCC1(CCCC1)O 240690a_100000737848_100000184570 [0,2,0,0,0,0|2,0,0]=4 5453 B13R1.1483 CSCC(=O)NCC1(CCCC1)O 527a_100000737848_100000184570 [0,2,0,0,0,0|2,0,0]=4 5454 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 11a_100000691740_100000184570 [0,2,0,0,0,0|2,0,0]=4 5455 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000184570 [0,2,0,0,0,0|2,0,0]=4 5456 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000184570 [0,2,0,0,0,0|2,0,0]=4 5457 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 527a_100000691740_100000184570 [0,2,0,0,0,0|2,0,0]=4 5458 B13R1.1483 O=C(CCO)NCC1(CCCC1)O 240690a_100000737848_100011216618 [0,2,0,0,0,0|2,0,0]=4 5459 B13R1.255 CCS(=O)(=O)N(C)CC1CCCO1 270084a_100102946541_100000211323 [0,2,0,0,0,0|2,0,0]=4 5460 B13R1.255 CCS(=O)(=O)N(C)CC1CCCO1 274078a_100102946541_100000211323 [0,2,0,0,0,0|2,0,0]=4 5461 B13R1.255 CCS(=O)(=O)N(C)CC1CCCO1 40a_100102946541_100000053943 [0,2,0,0,0,0|2,0,0]=4 5462 B13R1.346 C=C(C)C(=O)N(C)CC1CCCO1 11a_100102946541_100000185857 [0,2,0,0,0,0|1,0,1]=4 5463 B13R1.346 C=C(C)C(=O)N(C)CC1CCCO1 1626a_100102946541_100000185857 [0,2,0,0,0,0|1,0,1]=4 5464 B13R1.346 CC(C)C(=O)N(C)CC1CCCO1 11a_100102946541_100000210198 [0,2,0,0,0,0|1,0,0]=3 5465 B13R1.346 CC(C)C(=O)N(C)CC1CCCO1 1626a_100102946541_100000210198 [0,2,0,0,0,0|1,0,0]=3 5466 B13R1.346 CC(C)C(=O)N(C)CC1CCCO1 240690a_100102946541_100000210198 [0,2,0,0,0,0|1,0,0]=3 5467 B13R1.346 CC(C)C(=O)N(C)CC1CCCO1 527a_100102946541_100000210198 [0,2,0,0,0,0|1,0,0]=3 5468 B13R1.346 CC(C)C(=O)N(C)CC1OCCO1 11a_200000032744_100000210198 [0,2,0,0,0,0|2,0,0]=4 5469 B13R1.346 CC(C)C(=O)N(C)CC1OCCO1 1626a_200000032744_100000210198 [0,2,0,0,0,0|2,0,0]=4 5470 B13R1.346 CC(C)C(=O)N(C)CC1OCCO1 527a_200000032744_100000210198 [0,2,0,0,0,0|2,0,0]=4 5471 B13R1.346 CC(F)C(=O)N(C)CC1CCCO1 11a_100102946541_100000062450 [0,2,0,0,0,0|1,0,0]=3 5472 B13R1.346 CC(F)C(=O)N(C)CC1CCCO1 1626a_100102946541_100000062450 [0,2,0,0,0,0|1,0,0]=3 5473 B13R1.346 CC(F)C(=O)N(C)CC1CCCO1 240690a_100102946541_100000062450 [0,2,0,0,0,0|1,0,0]=3 5474 B13R1.346 CC(F)C(=O)N(C)CC1CCCO1 527a_100102946541_100000062450 [0,2,0,0,0,0|1,0,0]=3 5475 B13R1.346 CC(F)C(=O)N(C)CC1OCCO1 11a_200000032744_100000062450 [0,2,0,0,0,0|2,0,0]=4 5476 B13R1.346 CC(F)C(=O)N(C)CC1OCCO1 1626a_200000032744_100000062450 [0,2,0,0,0,0|2,0,0]=4 5477 B13R1.346 CC(F)C(=O)N(C)CC1OCCO1 527a_200000032744_100000062450 [0,2,0,0,0,0|2,0,0]=4 5478 B13R1.346 CN(C)C(=O)C(=O)CC1CCCO1 1458a_100011218876_100000203698 [0,2,0,0,0,0|2,0,0]=4 5479 B13R1.346 CN(CC1CCCO1)C(=O)C(F)F 11a_100102946541_100000210393 [0,2,0,0,0,0|2,0,0]=4 5480 B13R1.346 CN(CC1CCCO1)C(=O)C(F)F 1626a_100102946541_100000210393 [0,2,0,0,0,0|2,0,0]=4 5481 B13R1.346 CN(CC1CCCO1)C(=O)C(F)F 240690a_100102946541_100000210393 [0,2,0,0,0,0|2,0,0]=4 5482 B13R1.346 CN(CC1CCCO1)C(=O)C(F)F 527a_100102946541_100000210393 [0,2,0,0,0,0|2,0,0]=4 5483 B13R1.346 CN(CC1CCCO1)C(=O)C(O)O 240690a_100102946541_100000233687 [0,2,0,0,0,0|2,0,0]=4 5484 B13R1.346 C[C@@H](O)C(=O)N(C)CC1CCCO1 240690a_100102946541_100000717761 [0,2,0,0,0,0|1,0,0]=3 5485 B13R1.346 C[C@H](O)C(=O)N(C)CC1CCCO1 1626a_100102946541_217856618621 [0,2,0,0,0,0|1,0,0]=3 5486 B13R1.346 C[C@H](O)C(=O)N(C)CC1CCCO1 240690a_100102946541_217856618621 [0,2,0,0,0,0|1,0,0]=3 5487 B13R1.346 C[C@H](O)C(=O)N(C)CC1OCCO1 1626a_200000032744_217856618621 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.721 CCC(=O)N(CC)CC1CCCO1 11a_100000186375_100000210414 [0,2,0,0,0,0|1,0,0]=3 5489 B13R1.721 CCC(=O)N(CC)CC1CCCO1 1626a_100000186375_100000210414 [0,2,0,0,0,0|1,0,0]=3 5490 B13R1.721 CCC(=O)N(CC)CC1CCCO1 240690a_100000186375_100000210414 [0,2,0,0,0,0|1,0,0]=3 5491 B13R1.721 CCC(=O)N(CC)CC1CCCO1 527a_100000186375_100000210414 [0,2,0,0,0,0|1,0,0]=3 5492 B13R1.721 CCN(CC1CCCO1)C(=O)CO 240690a_100000186375_100000210174 [0,2,0,0,0,0|2,0,0]=4 5493 B13R1.721 CCN(CC1CCCO1)C(=O)CO 527a_100000186375_100000210174 [0,2,0,0,0,0|2,0,0]=4 5494 B13R1.721 CCN(CC1CCCO1)C(=O)NC 2708a_100102657272_100000186375 [0,2,0,0,0,0|2,0,0]=4 5495 B13R1.721 CCN(CC1CCCO1)C(=O)NC 273464a_100102657272_100000186375 [0,2,0,0,0,0|2,0,0]=4 5496 B13R1.1074 CC(C)C(C)(C)OCC1CCCO1 7a_100011215261_100000203698 [0,2,0,0,0,0|1,0,1]=4 5497 B13R1.1074 CC(C)S(=O)(=O)NC[C@@H]1CCCO1 270084a_100020590478_100000742656 [0,2,0,0,0,0|2,0,0]=4 5498 B13R1.1074 CC(C)S(=O)(=O)NC[C@@H]1CCCO1 274078a_100020590478_100000742656 [0,2,0,0,0,0|2,0,0]=4 5499 B13R1.2712 C#CC(C)(CC)OCC1CCCO1 7a_100000686493_100000203698 [0,2,0,0,0,0|1,0,1]=4 5500 B13R1.2712 CCC(C)(C#N)OCC1CCCO1 7a_100000760259_100000203698 [0,2,0,0,0,0|1,0,1]=4 5501 B13R1.2712 CCC(C)(CC)OCC1CCCO1 7a_100000210270_100009817345 [0,2,0,0,0,0|1,0,1]=4 5502 B13R1.2712 CCC(C)(CC)OCC1CCCO1 7a_100000755174_100000203698 [0,2,0,0,0,0|1,0,1]=4 5503 B13R1.169 CC(C)C(=O)CCC1CCCN1C 1458a_100000210198_100000005710 [0,2,0,0,0,0|2,0,0]=4 5504 B13R1.169 CC(C)C(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210198 [0,2,0,0,0,0|2,0,0]=4 5505 B13R1.169 CC(C)C(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210198 [0,2,0,0,0,0|2,0,0]=4 5506 B13R1.169 CC(F)C(=O)CCC1CCCN1C 1458a_100000062450_100000005710 [0,2,0,0,0,0|2,0,0]=4 5507 B13R1.169 CC(F)C(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000062450 [0,2,0,0,0,0|2,0,0]=4 5508 B13R1.169 CC(F)C(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000062450 [0,2,0,0,0,0|2,0,0]=4 5509 B13R1.169 C[C@@H](O)C(=O)CCC1CCCN1C 1458a_100000717761_100000005710 [0,2,0,0,0,0|2,0,0]=4 5510 B13R1.169 C[C@@H](O)C(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000717761 [0,2,0,0,0,0|2,0,0]=4 5511 B13R1.169 C[C@H](O)C(=O)CCC1CCCN1C 1458a_217856618621_100000005710 [0,2,0,0,0,0|2,0,0]=4 5512 B13R1.169 C[C@H](O)C(=O)NC[C@@H]1CCCN1C 240690a_100009821018_217856618621 [0,2,0,0,0,0|2,0,0]=4 5513 B13R1.2781 CC(C)(C)C(=O)CCC1CCCC1 1458a_106744555173_100000760354 [0,2,0,0,0,0|2,0,0]=4 5514 B13R1.2781 CC(C)(C)C(=O)CCC1OCCO1 1458a_106744555173_100000740749 [0,2,0,0,0,0|2,0,0]=4 5515 B13R1.2781 CC(C)(C)C(=O)COC1CCCO1 34a_100000085407_100000229897 [0,2,0,0,0,0|2,0,0]=4 5516 B13R1.2781 CC(C)(C)C(=O)NCC1CCCC1 11a_100000737975_106744555173 [0,2,0,0,0,0|2,0,0]=4 5517 B13R1.2781 CC(C)(C)C(=O)NCC1CCCC1 1626a_100000737975_106744555173 [0,2,0,0,0,0|2,0,0]=4 5518 B13R1.2781 CC(C)(C)C(=O)NCC1CCCC1 240690a_100000737975_106744555173 [0,2,0,0,0,0|2,0,0]=4 5519 B13R1.2781 CC(C)(C)C(=O)NCC1CCCC1 527a_100000737975_106744555173 [0,2,0,0,0,0|2,0,0]=4 5520 B13R1.2781 CC(C)(C)C(=O)NCC1OCCO1 11a_100000036311_106744555173 [0,2,0,0,0,0|2,0,0]=4 5521 B13R1.2781 CC(C)(C)C(=O)NCC1OCCO1 1626a_100000036311_106744555173 [0,2,0,0,0,0|2,0,0]=4 5522 B13R1.2781 CC(C)(C)C(=O)NCC1OCCO1 527a_100000036311_106744555173 [0,2,0,0,0,0|2,0,0]=4 5523 B13R1.2781 CC(C)(C)C(=O)NC[C@@H]1CCCO1 11a_100020590478_106744555173 [0,2,0,0,0,0|1,0,0]=3 5524 B13R1.2781 CC(C)(C)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_106744555173 [0,2,0,0,0,0|1,0,0]=3 5525 B13R1.2781 CC(C)(C)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_106744555173 [0,2,0,0,0,0|1,0,0]=3 5526 B13R1.2781 CC(C)(C)C(=O)NC[C@@H]1CCCO1 527a_100020590478_106744555173 [0,2,0,0,0,0|1,0,0]=3 5527 B13R1.2781 CC(C)(F)C(=O)CCC1CCCC1 1458a_100000765255_100000760354 [0,2,0,0,0,0|2,0,0]=4 5528 B13R1.2781 CC(C)(F)C(=O)CCC1OCCO1 1458a_100000765255_100000740749 [0,2,0,0,0,0|2,0,0]=4 5529 B13R1.2781 CC(C)(F)C(=O)NCC1CCCC1 11a_100000737975_100000765255 [0,2,0,0,0,0|2,0,0]=4 5530 B13R1.2781 CC(C)(F)C(=O)NCC1CCCC1 1626a_100000737975_100000765255 [0,2,0,0,0,0|2,0,0]=4 5531 B13R1.2781 CC(C)(F)C(=O)NCC1CCCC1 240690a_100000737975_100000765255 [0,2,0,0,0,0|2,0,0]=4 5532 B13R1.2781 CC(C)(F)C(=O)NCC1CCCC1 527a_100000737975_100000765255 [0,2,0,0,0,0|2,0,0]=4 5533 B13R1.2781 CC(C)(F)C(=O)NCC1OCCO1 11a_100000036311_100000765255 [0,2,0,0,0,0|2,0,0]=4 5534 B13R1.2781 CC(C)(F)C(=O)NCC1OCCO1 1626a_100000036311_100000765255 [0,2,0,0,0,0|2,0,0]=4 5535 B13R1.2781 CC(C)(F)C(=O)NCC1OCCO1 527a_100000036311_100000765255 [0,2,0,0,0,0|2,0,0]=4 5536 B13R1.2781 CC(C)(F)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000765255 [0,2,0,0,0,0|1,0,0]=3 5537 B13R1.2781 CC(C)(F)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000765255 [0,2,0,0,0,0|1,0,0]=3 5538 B13R1.2781 CC(C)(F)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000765255 [0,2,0,0,0,0|1,0,0]=3 5539 B13R1.2781 CC(C)(F)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100000765255 [0,2,0,0,0,0|1,0,0]=3 5540 B13R1.2781 CC(C)(O)C(=O)CCC1CCCC1 1458a_100000242741_100000760354 [0,2,0,0,0,0|2,0,0]=4 5541 B13R1.2781 CC(C)(O)C(=O)CCC1OCCO1 1458a_100000242741_100000740749 [0,2,0,0,0,0|2,0,0]=4 5542 B13R1.2781 CC(C)(O)C(=O)NCC1CCCC1 240690a_100000737975_100000242741 [0,2,0,0,0,0|2,0,0]=4 5543 B13R1.2781 CC(C)(O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000242741 [0,2,0,0,0,0|1,0,0]=3 5544 B13R1.2781 CC(F)(F)C(=O)NCC1CCCC1 11a_100000737975_100000042251 [0,2,0,0,0,0|2,0,0]=4 5545 B13R1.2781 CC(F)(F)C(=O)NCC1CCCC1 1626a_100000737975_100000042251 [0,2,0,0,0,0|2,0,0]=4 5546 B13R1.2781 CC(F)(F)C(=O)NCC1CCCC1 240690a_100000737975_100000042251 [0,2,0,0,0,0|2,0,0]=4 5547 B13R1.2781 CC(F)(F)C(=O)NCC1CCCC1 527a_100000737975_100000042251 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.2781 CC(F)(F)C(=O)NCC1OCCO1 11a_100000036311_100000042251 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.2781 CC(F)(F)C(=O)NCC1OCCO1 1626a_100000036311_100000042251 [0,2,0,0,0,0|2,0,0]=4 5550 B13R1.2781 CC(F)(F)C(=O)NCC1OCCO1 527a_100000036311_100000042251 [0,2,0,0,0,0|2,0,0]=4 5551 B13R1.2781 CC(F)(F)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000042251 [0,2,0,0,0,0|1,0,0]=3 5552 B13R1.2781 CC(F)(F)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000042251 [0,2,0,0,0,0|1,0,0]=3 5553 B13R1.2781 CC(F)(F)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000042251 [0,2,0,0,0,0|1,0,0]=3 5554 B13R1.2781 CC(F)(F)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100000042251 [0,2,0,0,0,0|1,0,0]=3 5555 B13R1.2781 O=C(CCC1CCCO1)C(F)(F)F 1458a_100011247709_200000243211 [0,2,0,0,0,0|2,0,0]=4 5556 B13R1.2781 O=C(NC[C@@H]1CCCO1)C(F)(F)F 11a_100020590478_100015355933 [0,2,0,0,0,0|2,0,0]=4 5557 B13R1.2781 O=C(NC[C@@H]1CCCO1)C(F)(F)F 1626a_100020590478_100015355933 [0,2,0,0,0,0|2,0,0]=4 5558 B13R1.2781 O=C(NC[C@@H]1CCCO1)C(F)(F)F 240690a_100020590478_100015355933 [0,2,0,0,0,0|2,0,0]=4 5559 B13R1.2781 O=C(NC[C@@H]1CCCO1)C(F)(F)F 527a_100020590478_100000210220 [0,2,0,0,0,0|2,0,0]=4 5560 B13R1.2781 [2H]C([2H])([2H])C(=O)NC[C@@H]1CCCO1 11a_100020590478_200015216371 [0,2,0,0,0,0|2,0,0]=4 5561 B13R1.2781 [2H]C([2H])([2H])C(=O)NC[C@@H]1CCCO1 1626a_100020590478_200015216371 [0,2,0,0,0,0|2,0,0]=4 5562 B13R1.2781 [2H]C([2H])([2H])C(=O)NC[C@@H]1CCCO1 240690a_100020590478_200015216371 [0,2,0,0,0,0|2,0,0]=4 5563 B13R1.2781 [2H]C([2H])([2H])C(=O)NC[C@@H]1CCCO1 527a_100020590478_200015216371 [0,2,0,0,0,0|2,0,0]=4 5564 B13R1.3383 C#CC(OCC1CCCO1)C(C)C 7a_100011217124_100000203698 [0,2,0,0,0,0|1,0,1]=4 5565 B13R1.3383 C=CC(OCC1CCCO1)C(C)C 7a_100000732651_100000203698 [0,2,0,0,0,0|1,0,1]=4 5566 B13R1.3383 CC(C)C(C#N)OCC1CCCO1 7a_100000748901_100000203698 [0,2,0,0,0,0|1,0,1]=4 5567 B13R1.3383 CCC(NCC1CCCO1)C(=O)N 2230a_100000733705_100000203698 [0,2,0,0,0,0|1,0,1]=4 5568 B13R1.3383 CCC(NC[C@@H]1CCCO1)C(=O)N 2230a_100020590478_100000750255 [0,2,0,0,0,0|1,0,1]=4 5569 B13R1.3383 CCC(NC[C@@H]1CCCO1)C(=O)N 34a_100020590478_100000750255 [0,2,0,0,0,0|1,0,1]=4 5570 B13R1.3383 CCC(OCC1CCCC1)C(=O)N 34a_100000742336_100000750255 [0,2,0,0,0,0|1,0,1]=4 5571 B13R1.3383 CCC(OCC1CCCC1)C(=O)N 7a_100000742336_100000750255 [0,2,0,0,0,0|1,0,1]=4 5572 B13R1.3383 CCC(OCC1CCCO1)C(=O)N 34a_100000210270_100000750255 [0,2,0,0,0,0|0,0,1]=3 5573 B13R1.3383 CCC(OCC1CCCO1)C(=O)N 7a_100000210270_100000750255 [0,2,0,0,0,0|0,0,1]=3 5574 B13R1.3383 CCC(OCC1CCCO1)C(C)C 7a_100011218073_100000203698 [0,2,0,0,0,0|1,0,1]=4 5575 B13R1.3383 CCC(OCC1COCO1)C(=O)N 34a_100011216627_100000750255 [0,2,0,0,0,0|1,0,1]=4 5576 B13R1.3383 CCC(OCC1OCCO1)C(=O)N 34a_100000087154_100000750255 [0,2,0,0,0,0|1,0,1]=4 5577 B13R1.3383 CCC(OC[C@H]1CCCN1)C(=O)N 34a_100000745186_100000750255 [0,2,0,0,0,0|1,0,1]=4 5578 B13R1.3383 CCC(SCC1CCCO1)C(=O)N 62a_100000203698_100000750255 [0,2,0,0,0,0|0,1,1]=4 5579 B13R1.3383 CCC(SCC1CCCO1)C(=O)N 62a_100000750255_100000203698 [0,2,0,0,0,0|0,1,1]=4 5580 B13R1.3383 CC[C@@H](NCC1CCCO1)C(=O)O 269956a_100000747097_100000183445 [0,2,0,0,0,0|1,0,1]=4 5581 B13R1.6166 CC(C)C(=O)CCC1(OCCO1)C 1458a_100000210198_100000758764 [0,2,0,0,0,0|2,0,0]=4 5582 B13R1.6166 CC(C)C(=O)NCC1(CCCC1)O 11a_100000737848_100000210198 [0,2,0,0,0,0|2,0,0]=4 5583 B13R1.6166 CC(C)C(=O)NCC1(CCCC1)O 1626a_100000737848_100000210198 [0,2,0,0,0,0|2,0,0]=4 5584 B13R1.6166 CC(C)C(=O)NCC1(CCCC1)O 240690a_100000737848_100000210198 [0,2,0,0,0,0|2,0,0]=4 5585 B13R1.6166 CC(C)C(=O)NCC1(CCCC1)O 527a_100000737848_100000210198 [0,2,0,0,0,0|2,0,0]=4 5586 B13R1.6166 CC(C)C(=O)NCC1(OCCO1)C 11a_100000691740_100000210198 [0,2,0,0,0,0|2,0,0]=4 5587 B13R1.6166 CC(C)C(=O)NCC1(OCCO1)C 1626a_100000691740_100000210198 [0,2,0,0,0,0|2,0,0]=4 5588 B13R1.6166 CC(C)C(=O)NCC1(OCCO1)C 240690a_100000691740_100000210198 [0,2,0,0,0,0|2,0,0]=4 5589 B13R1.6166 CC(C)C(=O)NCC1(OCCO1)C 527a_100000691740_100000210198 [0,2,0,0,0,0|2,0,0]=4 5590 B13R1.6166 CC(F)C(=O)CCC1(OCCO1)C 1458a_100000062450_100000758764 [0,2,0,0,0,0|2,0,0]=4 5591 B13R1.6166 CC(F)C(=O)NCC1(CCCC1)O 11a_100000737848_100000062450 [0,2,0,0,0,0|2,0,0]=4 5592 B13R1.6166 CC(F)C(=O)NCC1(CCCC1)O 1626a_100000737848_100000062450 [0,2,0,0,0,0|2,0,0]=4 5593 B13R1.6166 CC(F)C(=O)NCC1(CCCC1)O 240690a_100000737848_100000062450 [0,2,0,0,0,0|2,0,0]=4 5594 B13R1.6166 CC(F)C(=O)NCC1(CCCC1)O 527a_100000737848_100000062450 [0,2,0,0,0,0|2,0,0]=4 5595 B13R1.6166 CC(F)C(=O)NCC1(OCCO1)C 11a_100000691740_100000062450 [0,2,0,0,0,0|2,0,0]=4 5596 B13R1.6166 CC(F)C(=O)NCC1(OCCO1)C 1626a_100000691740_100000062450 [0,2,0,0,0,0|2,0,0]=4 5597 B13R1.6166 CC(F)C(=O)NCC1(OCCO1)C 240690a_100000691740_100000062450 [0,2,0,0,0,0|2,0,0]=4 5598 B13R1.6166 CC(F)C(=O)NCC1(OCCO1)C 527a_100000691740_100000062450 [0,2,0,0,0,0|2,0,0]=4 5599 B13R1.6166 C[C@@H](O)C(=O)CCC1(OCCO1)C 1458a_100000717761_100000758764 [0,2,0,0,0,0|2,0,0]=4 5600 B13R1.6166 C[C@@H](O)C(=O)NCC1(CCCC1)O 240690a_100000737848_100000717761 [0,2,0,0,0,0|2,0,0]=4 5601 B13R1.6166 C[C@@H](O)C(=O)NCC1(OCCO1)C 240690a_100000691740_100000717761 [0,2,0,0,0,0|2,0,0]=4 5602 B13R1.6166 C[C@H](O)C(=O)CCC1(OCCO1)C 1458a_217856618621_100000758764 [0,2,0,0,0,0|2,0,0]=4 5603 B13R1.6166 C[C@H](O)C(=O)NCC1(CCCC1)O 1626a_100000737848_217856618621 [0,2,0,0,0,0|2,0,0]=4 5604 B13R1.6166 C[C@H](O)C(=O)NCC1(CCCC1)O 240690a_100000737848_217856618621 [0,2,0,0,0,0|2,0,0]=4 5605 B13R1.6166 C[C@H](O)C(=O)NCC1(OCCO1)C 1626a_100000691740_217856618621 [0,2,0,0,0,0|2,0,0]=4 5606 B13R1.6166 C[C@H](O)C(=O)NCC1(OCCO1)C 240690a_100000691740_217856618621 [0,2,0,0,0,0|2,0,0]=4 5607 B13R1.613 CCC(=O)NCC1CCCN1CC 11a_100000211693_100000210414 [0,2,0,0,0,0|2,0,0]=4 5608 B13R1.613 CCC(=O)NCC1CCCN1CC 1626a_100000211693_100000210414 [0,2,0,0,0,0|2,0,0]=4 5609 B13R1.613 CCC(=O)NCC1CCCN1CC 240690a_100000211693_100000210414 [0,2,0,0,0,0|2,0,0]=4 5610 B13R1.613 CCC(=O)NCC1CCCN1CC 527a_100000211693_100000210414 [0,2,0,0,0,0|2,0,0]=4 5611 B13R1.4713 CCC(=O)NCC1(CCCC1)CO 240690a_100000699429_100000210414 [0,2,0,0,0,0|2,0,0]=4 5612 B13R1.4713 CCC(=O)NCC1(CCCC1)CO 527a_100000699429_100000210414 [0,2,0,0,0,0|2,0,0]=4 5613 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000210414 [0,0,1,1,0,0|1,0,0]=3 5614 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000210414 [0,0,1,1,0,0|1,0,0]=3 5615 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000210414 [0,0,1,1,0,0|1,0,0]=3 5616 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000210414 [0,0,1,1,0,0|1,0,0]=3 5617 B11R1.44 CNC(=O)N1CC[C@H](C1)OC 2708a_100102657272_100000766984 [0,0,1,1,0,0|2,0,0]=4 5618 B11R1.44 CNC(=O)N1CC[C@H](C1)OC 273464a_100102657272_100000766984 [0,0,1,1,0,0|2,0,0]=4 5619 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,0,1,1,0,0|2,0,0]=4 5620 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,0,1,1,0,0|2,0,0]=4 5621 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,0,1,1,0,0|2,0,0]=4 5622 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,0,1,1,0,0|2,0,0]=4 5623 B11R1.44 CO[C@@H]1CCN(C1)C(=O)CO 240690a_100000766984_100000210174 [0,0,1,1,0,0|2,0,0]=4 5624 B11R1.44 CO[C@@H]1CCN(C1)C(=O)CO 527a_100000766984_100000210174 [0,0,1,1,0,0|2,0,0]=4 5625 B11R1.938 CCC(C)OCC1(CO1)CC 7a_100000210228_200000139556 [0,0,1,1,0,0|1,0,1]=4 5626 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,0,1,1,0,0|2,0,0]=4 5627 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,0,1,1,0,0|2,0,0]=4 5628 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,0,1,1,0,0|1,0,0]=3 5629 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,0,1,1,0,0|1,0,0]=3 5630 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,0,1,1,0,0|1,0,0]=3 5631 B11R1.1 CCCOC1CNC(=O)NC1 34a_100000080929_100000210303 [0,0,1,1,0,0|2,0,0]=4 5632 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [0,0,1,1,0,0|2,0,0]=4 5633 B11R1.1 CSCOC1CCC(=O)NC1 34a_100000079199_100011218213 [0,0,1,1,0,0|2,0,0]=4 5634 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [0,0,1,1,0,0|2,0,0]=4 5635 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [0,0,1,1,0,0|2,0,0]=4 5636 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,0,1,1,0,0|2,0,0]=4 5637 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,0,1,1,0,0|2,0,0]=4 5638 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [0,0,1,1,0,0|2,0,0]=4 5639 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [0,0,1,1,0,0|2,0,0]=4 5640 B11R1.1 O=C1CCC(CN1)OCCF 34a_100000079199_100011217306 [0,0,1,1,0,0|2,0,0]=4 5641 B11R1.1 O=C1CCC(CN1)OCCO 34a_100000079199_100000211926 [0,0,1,1,0,0|2,0,0]=4 5642 B11R1.13 CC1C(=O)NCCN1CCO 2230a_100000750721_100000211926 [0,0,1,1,0,0|2,0,0]=4 5643 B11R1.13 CC1C(=O)NCCN1CCO 269982a_100000750721_100000211926 [0,0,1,1,0,0|2,0,0]=4 5644 B11R1.13 CC1C(=O)NCCN1CCO 34a_100000750721_100000211926 [0,0,1,1,0,0|2,0,0]=4 5645 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,0,1,1,0,0|2,0,0]=4 5646 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,0,1,1,0,0|2,0,0]=4 5647 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,0,1,1,0,0|2,0,0]=4 5648 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,0,1,1,0,0|2,0,0]=4 5649 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,0,1,1,0,0|2,0,0]=4 5650 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,0,1,1,0,0|1,0,0]=3 5651 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,0,1,1,0,0|1,0,0]=3 5652 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,0,1,1,0,0|1,0,0]=3 5653 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,0,1,1,0,0|1,0,0]=3 5654 B11R1.40 CCC(=O)CN1CCCOC1 269982a_100000131196_100000747405 [0,0,1,1,0,0|2,0,0]=4 5655 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,0,1,1,0,0|2,0,0]=4 5656 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,0,1,1,0,0|2,0,0]=4 5657 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,0,1,1,0,0|2,0,0]=4 5658 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,0,1,1,0,0|2,0,0]=4 5659 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,0,1,1,0,0|1,0,0]=3 5660 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,0,1,1,0,0|1,0,0]=3 5661 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,0,1,1,0,0|1,0,0]=3 5662 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,0,1,1,0,0|1,0,0]=3 5663 B11R1.40 CCC(C)OC1CCCCO1 34a_100000033831_100011215416 [0,0,1,1,0,0|1,0,1]=4 5664 B11R1.40 CCC(C)OC1CCCOC1 34a_100000754041_100011215416 [0,0,1,1,0,0|1,0,1]=4 5665 B11R1.40 CCC(C)OC1CCCOC1 7a_100000210228_100000693364 [0,0,1,1,0,0|1,0,1]=4 5666 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,0,1,1,0,0|2,0,0]=4 5667 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,0,1,1,0,0|2,0,0]=4 5668 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,0,1,1,0,0|2,0,0]=4 5669 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,0,1,1,0,0|2,0,0]=4 5670 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,0,1,1,0,0|2,0,0]=4 5671 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,0,1,1,0,0|2,0,0]=4 5672 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,0,1,1,0,0|2,0,0]=4 5673 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,0,1,1,0,0|2,0,0]=4 5674 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,0,1,1,0,0|2,0,0]=4 5675 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,0,1,1,0,0|2,0,0]=4 5676 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,0,1,1,0,0|2,0,0]=4 5677 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,0,1,1,0,0|2,0,0]=4 5678 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,0,1,1,0,0|2,0,0]=4 5679 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,0,1,1,0,0|2,0,0]=4 5680 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,0,1,1,0,0|2,0,0]=4 5681 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,0,1,1,0,0|2,0,0]=4 5682 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,0,1,1,0,0|2,0,0]=4 5683 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,0,1,1,0,0|2,0,0]=4 5684 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,0,1,1,0,0|2,0,0]=4 5685 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,0,1,1,0,0|2,0,0]=4 5686 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [0,0,1,1,0,0|1,0,1]=4 5687 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [0,0,1,1,0,0|1,0,1]=4 5688 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,0,1,1,0,0|1,0,1]=4 5689 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,0,1,1,0,0|2,0,0]=4 5690 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,0,1,1,0,0|2,0,0]=4 5691 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,0,1,1,0,0|2,0,0]=4 5692 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,0,1,1,0,0|2,0,0]=4 5693 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [0,0,1,1,0,0|1,0,0]=3 5694 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [0,0,1,1,0,0|1,0,0]=3 5695 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 2708a_100102657272_100000745186 [0,0,1,1,0,0|2,0,0]=4 5696 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 273464a_100102657272_100000745186 [0,0,1,1,0,0|2,0,0]=4 5697 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 240690a_100000745186_100000210174 [0,0,1,1,0,0|2,0,0]=4 5698 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 527a_100000745186_100000210174 [0,0,1,1,0,0|2,0,0]=4 5699 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,1,1,0,0|2,0,0]=4 5700 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,1,1,0,0|2,0,0]=4 5701 B11R1.135 O=C1CCN(CCN1)CCO 2230a_100000698595_100000211926 [0,0,1,1,0,0|2,0,0]=4 5702 B11R1.135 O=C1CCN(CCN1)CCO 269982a_100000698595_100000211926 [0,0,1,1,0,0|2,0,0]=4 5703 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,1,1,0,0|1,1,0]=4 5704 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,1,1,0,0|1,1,0]=4 5705 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,0,1,1,0,0|2,0,0]=4 5706 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,0,1,1,0,0|2,0,0]=4 5707 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,0,1,1,0,0|2,0,0]=4 5708 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,0,1,1,0,0|2,0,0]=4 5709 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,0,1,1,0,0|2,0,0]=4 5710 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,0,1,1,0,0|2,0,0]=4 5711 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,0,1,1,0,0|2,0,0]=4 5712 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,0,1,1,0,0|1,0,0]=3 5713 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,0,1,1,0,0|2,0,0]=4 5714 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,0,1,1,0,0|2,0,0]=4 5715 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,0,1,1,0,0|2,0,0]=4 5716 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,0,1,1,0,0|2,0,0]=4 5717 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210414 [0,0,1,1,0,0|1,0,0]=3 5718 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210414 [0,0,1,1,0,0|1,0,0]=3 5719 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210414 [0,0,1,1,0,0|1,0,0]=3 5720 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 2708a_100102657272_100009815349 [0,0,1,1,0,0|2,0,0]=4 5721 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 273464a_100102657272_100009815349 [0,0,1,1,0,0|2,0,0]=4 5722 B11R1.222 C[C@H]1COCCN1C(=O)CO 240690a_100009815349_100000210174 [0,0,1,1,0,0|2,0,0]=4 5723 B11R1.222 C[C@H]1COCCN1C(=O)CO 527a_100009815349_100000210174 [0,0,1,1,0,0|2,0,0]=4 5724 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,0,1,1,0,0|2,0,0]=4 5725 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [0,0,1,1,0,0|2,0,0]=4 5726 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000103362_100000747405 [0,0,1,1,0,0|2,0,0]=4 5727 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000747405_100000103362 [0,0,1,1,0,0|2,0,0]=4 5728 B11R1.236 CCC(=O)NCCN1CCC1 240690a_100000691440_100000210414 [0,0,1,1,0,0|2,0,0]=4 5729 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,0,1,1,0,0|2,0,0]=4 5730 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,0,1,1,0,0|2,0,0]=4 5731 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [0,0,1,1,0,0|2,0,0]=4 5732 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [0,0,1,1,0,0|2,0,0]=4 5733 B11R1.237 CCC(=O)NCCNC1CC1 34a_100132302217_100000211595 [0,0,1,1,0,0|2,0,0]=4 5734 B11R1.237 CCC(=O)NCCOC1CC1 34a_200000158885_100000211595 [0,0,1,1,0,0|1,0,0]=3 5735 B11R1.237 CCC(C)OCCCC1CO1 7a_100000210228_100000733510 [0,0,1,1,0,0|1,0,1]=4 5736 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,0,1,1,0,0|2,0,0]=4 5737 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,0,1,1,0,0|1,1,0]=4 5738 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [0,0,1,1,0,0|2,0,0]=4 5739 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,0,1,1,0,0|1,0,0]=3 5740 B11R1.237 COC(=O)OCSCC1CO1 62a_102125554688_100000139417 [0,0,1,1,0,0|2,0,0]=4 5741 B11R1.237 COC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000139417 [0,0,1,1,0,0|2,0,0]=4 5742 B11R1.320 CC1(CC1)OCCCCCO 7a_100011725673_100000746330 [0,0,1,1,0,0|1,0,1]=4 5743 B11R1.320 CCCOCCOC1(CC1)C 7a_100011725673_100011215938 [0,0,1,1,0,0|1,0,1]=4 5744 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,0,1,1,0,0|2,0,0]=4 5745 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,0,1,1,0,0|2,0,0]=4 5746 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,0,1,1,0,0|2,0,0]=4 5747 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,0,1,1,0,0|2,0,0]=4 5748 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,0,1,1,0,0|2,0,0]=4 5749 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,0,1,1,0,0|2,0,0]=4 5750 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [0,0,1,1,0,0|1,0,0]=3 5751 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [0,0,1,1,0,0|1,0,0]=3 5752 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [0,0,1,1,0,0|1,0,0]=3 5753 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [0,0,1,1,0,0|1,0,0]=3 5754 B11R1.852 CNC(=O)N1CCCOCC1 2708a_100102657272_100000685342 [0,0,1,1,0,0|2,0,0]=4 5755 B11R1.852 CNC(=O)N1CCCOCC1 273464a_100102657272_100000685342 [0,0,1,1,0,0|2,0,0]=4 5756 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,0,1,1,0,0|2,0,0]=4 5757 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,0,1,1,0,0|2,0,0]=4 5758 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,0,1,1,0,0|0,0,2]=4 5759 B11R1.23 CC1CN(CCO1)C(=O)CO 240690a_100000729577_100000210174 [0,0,1,1,0,0|2,0,0]=4 5760 B11R1.23 CC1CN(CCO1)C(=O)CO 527a_100000729577_100000210174 [0,0,1,1,0,0|2,0,0]=4 5761 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,0,1,1,0,0|2,0,0]=4 5762 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,0,1,1,0,0|1,0,0]=3 5763 B11R1.23 CCC(=O)N1CCCC(C1)F 11a_100000697950_100000210414 [0,0,1,1,0,0|2,0,0]=4 5764 B11R1.23 CCC(=O)N1CCCC(C1)F 1626a_100000697950_100000210414 [0,0,1,1,0,0|2,0,0]=4 5765 B11R1.23 CCC(=O)N1CCCC(C1)F 240690a_100000697950_100000210414 [0,0,1,1,0,0|2,0,0]=4 5766 B11R1.23 CCC(=O)N1CCCC(C1)F 527a_100000697950_100000210414 [0,0,1,1,0,0|2,0,0]=4 5767 B11R1.23 CCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210414 [0,0,1,1,0,0|1,0,0]=3 5768 B11R1.23 CCC(=O)N1CCCC(C1)O 527a_100000211013_100000210414 [0,0,1,1,0,0|1,0,0]=3 5769 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210414 [0,0,1,1,0,0|2,0,0]=4 5770 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210414 [0,0,1,1,0,0|2,0,0]=4 5771 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210414 [0,0,1,1,0,0|2,0,0]=4 5772 B11R1.23 CCC(=O)N1CCOC(C1)C 11a_100000729577_100000210414 [0,0,1,1,0,0|1,0,0]=3 5773 B11R1.23 CCC(=O)N1CCOC(C1)C 1626a_100000729577_100000210414 [0,0,1,1,0,0|1,0,0]=3 5774 B11R1.23 CCC(=O)N1CCOC(C1)C 240690a_100000729577_100000210414 [0,0,1,1,0,0|1,0,0]=3 5775 B11R1.23 CCC(=O)N1CCOC(C1)C 527a_100000729577_100000210414 [0,0,1,1,0,0|1,0,0]=3 5776 B11R1.23 CCC(=O)N1CCOC(C1)O 11a_100000688207_100000210414 [0,0,1,1,0,0|2,0,0]=4 5777 B11R1.23 CCC(=O)N1CCOC(C1)O 240690a_100000688207_100000210414 [0,0,1,1,0,0|2,0,0]=4 5778 B11R1.23 CCC(=O)N1CCOC(C1)O 527a_100000688207_100000210414 [0,0,1,1,0,0|2,0,0]=4 5779 B11R1.23 CNC(=O)C1CCCC(C1)O 1626a_100102657272_100000707227 [0,0,1,1,0,0|2,0,0]=4 5780 B11R1.23 CNC(=O)C1CCCC(C1)O 240690a_100102657272_100000707227 [0,0,1,1,0,0|2,0,0]=4 5781 B11R1.23 CNC(=O)N1CCCC(C1)O 2708a_100102657272_100000211013 [0,0,1,1,0,0|2,0,0]=4 5782 B11R1.23 CNC(=O)N1CCCC(C1)O 273464a_100102657272_100000211013 [0,0,1,1,0,0|2,0,0]=4 5783 B11R1.23 CNC(=O)N1CCOC(C1)C 2708a_100102657272_100000729577 [0,0,1,1,0,0|2,0,0]=4 5784 B11R1.23 CNC(=O)N1CCOC(C1)C 273464a_100102657272_100000729577 [0,0,1,1,0,0|2,0,0]=4 5785 B11R1.23 O=C(CF)C1CCCC(C1)O 1458a_100000707227_100015361967 [0,0,1,1,0,0|2,0,0]=4 5786 B11R1.23 O=C(CO)N1CCCC(C1)O 240690a_100000211013_100000210174 [0,0,1,1,0,0|2,0,0]=4 5787 B11R1.23 O=C(CO)N1CCCC(C1)O 527a_100000211013_100000210174 [0,0,1,1,0,0|2,0,0]=4 5788 B11R1.121 CCOC1CC(C1)C(=O)OC 34a_100121572206_100009897219 [0,0,1,1,0,0|2,0,0]=4 5789 B11R1.121 CCOC1CC(C1)C(=O)OC 7a_100000076263_100000210202 [0,0,1,1,0,0|2,0,0]=4 5790 B11R1.121 CCOC1CN(C1)C(=O)CC 11a_100000732654_100000210414 [0,0,1,1,0,0|1,0,0]=3 5791 B11R1.121 CCOC1CN(C1)C(=O)CC 1626a_100000732654_100000210414 [0,0,1,1,0,0|1,0,0]=3 5792 B11R1.121 CCOC1CN(C1)C(=O)CC 240690a_100000732654_100000210414 [0,0,1,1,0,0|1,0,0]=3 5793 B11R1.121 CCOC1CN(C1)C(=O)CC 527a_100000732654_100000210414 [0,0,1,1,0,0|1,0,0]=3 5794 B11R1.121 CCOC1CN(C1)C(=O)CO 240690a_100000732654_100000210174 [0,0,1,1,0,0|2,0,0]=4 5795 B11R1.121 CCOC1CN(C1)C(=O)CO 527a_100000732654_100000210174 [0,0,1,1,0,0|2,0,0]=4 5796 B11R1.121 CCOC1CN(C1)C(=O)NC 2708a_100102657272_100000732654 [0,0,1,1,0,0|2,0,0]=4 5797 B11R1.121 CCOC1CN(C1)C(=O)NC 273464a_100102657272_100000732654 [0,0,1,1,0,0|2,0,0]=4 5798 B11R1.225 CCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000210202 [0,0,1,1,0,0|2,0,0]=4 5799 B11R1.524 CCC(=O)NCC(O)C1CC1 11a_100000751198_100000210414 [0,0,1,1,0,0|1,0,0]=3 5800 B11R1.524 CCC(=O)NCC(O)C1CC1 240690a_100000751198_100000210414 [0,0,1,1,0,0|1,0,0]=3 5801 B11R1.524 CCC(=O)NCC(O)C1CC1 527a_100000751198_100000210414 [0,0,1,1,0,0|1,0,0]=3 5802 B11R1.524 CNC(=O)NCC(O)C1CC1 2708a_100102657272_100000751198 [0,0,1,1,0,0|2,0,0]=4 5803 B11R1.524 CNC(=O)NCC(O)C1CC1 273464a_100000751198_100102657272 [0,0,1,1,0,0|2,0,0]=4 5804 B11R1.524 CNC(=O)NCC(O)C1CC1 273464a_100102657272_100000751198 [0,0,1,1,0,0|2,0,0]=4 5805 B11R1.524 CNC(=O)NCC(O)C1CC1 512a_106832991638_100000751198 [0,0,1,1,0,0|2,0,0]=4 5806 B11R1.524 O=C(CO)NCC(O)C1CC1 240690a_100000751198_100000210174 [0,0,1,1,0,0|2,0,0]=4 5807 B11R1.524 O=C(CO)NCC(O)C1CC1 527a_100000751198_100000210174 [0,0,1,1,0,0|2,0,0]=4 5808 B11R1.1234 CC1(CCC(=O)CC1)OCF 34a_100012184276_100015361967 [0,0,1,1,0,0|2,0,0]=4 5809 B11R1.1234 CC1(CCC(=O)CC1)OCF 7a_100012184276_100015361967 [0,0,1,1,0,0|2,0,0]=4 5810 B11R1.1234 CCOC1(CCC(=O)CC1)C 34a_100012184276_100000210202 [0,0,1,1,0,0|1,0,0]=3 5811 B11R1.1234 CCOC1(CCC(=O)CC1)C 7a_100012184276_100000210202 [0,0,1,1,0,0|1,0,0]=3 5812 B11R2.237 C1COC(C1)CN2CCC2 269982a_100000754969_100000183445 [1,0,0,1,0,0|1,0,1]=4 5813 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210303 [1,0,0,1,0,0|1,0,1]=4 5814 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000210303 [1,0,0,1,0,0|1,0,1]=4 5815 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210303 [1,0,0,1,0,0|1,0,1]=4 5816 B11R2.385 C1CCC(C1)COC2CC2 34a_100000742336_100000211595 [1,0,0,1,0,0|1,0,1]=4 5817 B11R2.385 C1CN[C@H](C1)COC2CC2 34a_100000745186_100000211595 [1,0,0,1,0,0|1,0,1]=4 5818 B11R2.385 C1COC(C1)COC2CC2 34a_100000210270_100000211595 [1,0,0,1,0,0|0,0,1]=3 5819 B11R2.385 C1COC(C1)CSC2CC2 62a_100000203698_100000211595 [1,0,0,1,0,0|0,1,1]=4 5820 B11R2.385 C1COC(O1)COC2CC2 34a_100000087154_100000211595 [1,0,0,1,0,0|1,0,1]=4 5821 B11R2.385 C1CO[C@@H](C1)CNC2CC2 34a_100020590478_100000211595 [1,0,0,1,0,0|1,0,1]=4 5822 B11R2.385 C1OCC(O1)COC2CC2 34a_100011216627_100000211595 [1,0,0,1,0,0|1,0,1]=4 5823 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [1,0,0,1,0,0|2,0,0]=4 5824 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [1,0,0,1,0,0|2,0,0]=4 5825 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [1,0,0,1,0,0|2,0,0]=4 5826 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [1,0,0,1,0,0|2,0,0]=4 5827 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [1,0,0,1,0,0|2,0,0]=4 5828 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [1,0,0,1,0,0|2,0,0]=4 5829 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100015343762 [1,0,0,1,0,0|1,0,0]=3 5830 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100015343762 [1,0,0,1,0,0|1,0,0]=3 5831 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100015343762 [1,0,0,1,0,0|1,0,0]=3 5832 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100103153847 [1,0,0,1,0,0|1,0,0]=3 5833 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [1,0,0,1,0,0|2,0,0]=4 5834 B11R2.16 CCN1CC2CCC(C1)O2 2230a_100015188616_100000210202 [0,0,0,1,1,0|2,0,0]=4 5835 B11R2.16 CCN1CC2CCC(C1)O2 269982a_100015188616_100000204670 [0,0,0,1,1,0|2,0,0]=4 5836 B11R2.16 CCN1CC2CCC(C1)O2 34a_100015188616_100000210202 [0,0,0,1,1,0|2,0,0]=4 5837 B11R2.905 CCC(=O)C1C2C1COC2 1458a_100000138910_100000210202 [0,0,0,1,1,0|2,0,0]=4 5838 B11R2.384 C1CC(C1)COC2CCC2 34a_100000748187_100000763275 [0,0,0,1,1,0|1,0,1]=4 5839 B11R2.384 C1CC(C1)COC2CCC2 34a_100000760304_100000749161 [0,0,0,1,1,0|1,0,1]=4 5840 B11R2.384 C1CC(C1)OCC2CCO2 34a_100000039022_100000749161 [0,0,0,1,1,0|1,0,1]=4 5841 B11R2.384 C1CC(C1)OCC2CCO2 34a_100000748187_100000103362 [0,0,0,1,1,0|1,0,1]=4 5842 B11R2.512 O=C1CCC1NC2CCC2 34a_100000749019_100009892977 [0,0,0,1,1,0|2,0,0]=4 5843 B11R2.512 O=C1CCC1OC2CCC2 34a_100000748187_100009892977 [0,0,0,1,1,0|2,0,0]=4 5844 B11R2.512 O=C1CCC1SC2CCC2 62a_100009892977_100000749161 [0,0,0,1,1,0|2,0,0]=4 5845 B11R2.1519 CC1(CC1)OCC2CCC2 7a_100011725673_100000763275 [0,0,0,1,1,0|1,0,1]=4 5846 B11R2.1519 CC1(CC1)OCC2CCO2 7a_100011725673_100000103362 [0,0,0,1,1,0|1,0,1]=4 5847 B11R2.1927 CCC(=O)C1CC12CCC2 1458a_100000687150_100000210202 [0,0,0,1,1,0|1,0,0]=3 5848 B11R2.1927 CNC(=O)C1CC12CCC2 11a_106832991635_100000687150 [0,0,0,1,1,0|2,0,0]=4 5849 B11R2.1927 CNC(=O)C1CC12CCC2 1626a_100102657272_100000687150 [0,0,0,1,1,0|2,0,0]=4 5850 B11R2.1927 CNC(=O)C1CC12CCC2 240690a_100102657272_100000687150 [0,0,0,1,1,0|2,0,0]=4 5851 B11R2.1927 CNC(=O)C1CC12CCC2 527a_100102657272_100000687150 [0,0,0,1,1,0|2,0,0]=4 5852 B11R2.1927 O=C(CF)C1CC12CCC2 1458a_100000687150_100015361967 [0,0,0,1,1,0|2,0,0]=4 5853 B13R2.10 O=C1OCC(O1)N2CCCOC2 34a_100000131196_100000032252 [0,0,0,1,0,1|2,0,0]=4 5854 B13R2.27 O=C1CCC1NC2CCCOC2 34a_100000719290_100009892977 [0,0,0,1,0,1|2,0,0]=4 5855 B13R2.27 O=C1CCC1OC2CCCCO2 34a_100000033831_100009892977 [0,0,0,1,0,1|2,0,0]=4 5856 B13R2.27 O=C1CCC1OC2CCCOC2 34a_100000754041_100009892977 [0,0,0,1,0,1|2,0,0]=4 5857 B13R2.27 O=C1CCC1SC2CCCOC2 62a_100009892977_100000693364 [0,0,0,1,0,1|2,0,0]=4 5858 B13R2.528 CCC(=O)C1CC12CCOCC2 1458a_100000766831_100000210202 [0,0,0,1,0,1|2,0,0]=4 5859 B13R2.1153 CCC(=O)C1CC2CCN1CC2 1458a_100102578056_100000210202 [0,0,0,1,0,1|2,0,0]=4 5860 B13R2.1153 CCC(=O)N1CC2CCC1CC2 11a_100000750499_100000210414 [0,0,0,1,0,1|2,0,0]=4 5861 B13R2.1153 CCC(=O)N1CC2CCC1CC2 1626a_100000750499_100000210414 [0,0,0,1,0,1|2,0,0]=4 5862 B13R2.1153 CCC(=O)N1CC2CCC1CC2 240690a_100000750499_100000210414 [0,0,0,1,0,1|2,0,0]=4 5863 B13R2.1153 CCC(=O)N1CC2CCC1CC2 527a_100000750499_100000210414 [0,0,0,1,0,1|2,0,0]=4 5864 B13R2.2383 C1CC(C1)OC[C@@H]2CNCCO2 34a_100015189573_100000749161 [0,0,0,1,0,1|1,0,1]=4 5865 B13R2.2383 C1CC(C1)OC[C@H]2COCCO2 34a_100009875890_100000749161 [0,0,0,1,0,1|1,0,1]=4 5866 B13R2.2383 C1CCC(OC1)COC2CCC2 34a_100000211370_100000749161 [0,0,0,1,0,1|1,0,1]=4 5867 B13R2.2383 C1CCC(OC1)COC2CCC2 34a_100000748187_100000211543 [0,0,0,1,0,1|1,0,1]=4 5868 B13R2.2383 C1COCC(C1)COC2CCC2 34a_100000741520_100000749161 [0,0,0,1,0,1|1,0,1]=4 5869 B13R2.2383 C1COCC(C1)COC2CCC2 34a_100000748187_100000741521 [0,0,0,1,0,1|1,0,1]=4 5870 B13R2.3203 CC1(CC1)OCC2CCCCO2 7a_100011725673_100000211543 [0,0,0,1,0,1|1,0,1]=4 5871 B13R2.3203 CC1(CC1)OCC2CCCOC2 7a_100011725673_100000741521 [0,0,0,1,0,1|1,0,1]=4 5872 B13R2.4 CCc1nc(no1)C2CCCO2 270196a_100011794354_100000210414 [0,0,0,1,0,1|1,0,1]=4 5873 B13R2.4 CCc1noc(n1)[C@@H]2CCCO2 270196a_200000212204_100000686382 [0,0,0,1,0,1|1,0,1]=4 5874 B13R2.142 O=C1CCC(C1)OC2CCCC2 34a_100012614533_100000179811 [0,0,0,1,0,1|2,0,0]=4 5875 B13R2.142 O=C1CN(CN1)CC2CCCO2 2230a_200000708111_100000203698 [0,0,0,1,0,1|2,0,0]=4 5876 B13R2.142 O=C1OCC(O1)NC2CCCC2 34a_100000211070_100000032252 [0,0,0,1,0,1|2,0,0]=4 5877 B13R2.142 O=C1OCC(O1)OC2CCCC2 34a_100000210269_100000032252 [0,0,0,1,0,1|2,0,0]=4 5878 B13R2.142 O=C1OCC(O1)OC2CCCO2 34a_100000085407_100000032252 [0,0,0,1,0,1|1,0,0]=3 5879 B13R2.142 O=C1OCC(O1)SC2CCCC2 62a_100011217020_100000032252 [0,0,0,1,0,1|2,0,0]=4 5880 B13R2.158 O=C1CCC1NCC2CCCC2 34a_100000737975_100009892977 [0,0,0,1,0,1|2,0,0]=4 5881 B13R2.158 O=C1CCC1NCC2OCCO2 34a_100000036311_100009892977 [0,0,0,1,0,1|2,0,0]=4 5882 B13R2.158 O=C1CCC1NC[C@@H]2CCCO2 34a_100020590478_100009892977 [0,0,0,1,0,1|1,0,0]=3 5883 B13R2.158 O=C1CCC1OCC2CCCC2 34a_100000742336_100009892977 [0,0,0,1,0,1|1,0,0]=3 5884 B13R2.158 O=C1CCC1OCC2CCCC2 7a_100000742336_100009892977 [0,0,0,1,0,1|1,0,0]=3 5885 B13R2.158 O=C1CCC1OCC2CCCO2 34a_100000210270_100009892977 [0,0,0,1,0,1|0,0,0]=2 5886 B13R2.158 O=C1CCC1OCC2CCCO2 7a_100000210270_100009892977 [0,0,0,1,0,1|0,0,0]=2 5887 B13R2.158 O=C1CCC1OCC2CCNC2 34a_100000748654_100009892977 [0,0,0,1,0,1|2,0,0]=4 5888 B13R2.158 O=C1CCC1OCC2CCOC2 34a_100000740260_100009892977 [0,0,0,1,0,1|2,0,0]=4 5889 B13R2.158 O=C1CCC1OCC2COCO2 34a_100011216627_100009892977 [0,0,0,1,0,1|1,0,0]=3 5890 B13R2.158 O=C1CCC1OCC2OCCO2 34a_100000087154_100009892977 [0,0,0,1,0,1|1,0,0]=3 5891 B13R2.158 O=C1CCC1OC[C@H]2CCCN2 34a_100000745186_100009892977 [0,0,0,1,0,1|1,0,0]=3 5892 B13R2.158 O=C1CCC1SCC2CCCC2 62a_100000740388_100009892977 [0,0,0,1,0,1|1,1,0]=4 5893 B13R2.158 O=C1CCC1SCC2CCCC2 62a_100009892977_100000740388 [0,0,0,1,0,1|1,1,0]=4 5894 B13R2.158 O=C1CCC1SCC2CCCO2 62a_100000203698_100009892977 [0,0,0,1,0,1|0,1,0]=3 5895 B13R2.158 O=C1CCC1SCC2CCCO2 62a_100009892977_100000203698 [0,0,0,1,0,1|0,1,0]=3 5896 B13R2.158 O=C1CCC1SCC2OCCO2 62a_100000755774_100009892977 [0,0,0,1,0,1|1,1,0]=4 5897 B13R2.158 O=C1CCC1SCC2OCCO2 62a_100009892977_100000755774 [0,0,0,1,0,1|1,1,0]=4 5898 B13R2.196 CC1CC1COCC2CCCO2 7a_100000744939_100000203698 [0,0,0,1,0,1|1,0,1]=4 5899 B13R2.2381 C1CC(C1)COCC2CCCO2 34a_100000210270_100000763275 [0,0,0,1,0,1|1,0,1]=4 5900 B13R2.2381 C1CC(C1)COCC2CCCO2 7a_100000210270_100000763275 [0,0,0,1,0,1|1,0,1]=4 5901 B13R2.2381 C1COC(C1)COCC2CCO2 34a_100000210270_100000103362 [0,0,0,1,0,1|0,0,2]=4 5902 B13R2.2381 C1COC(C1)COCC2CCO2 7a_100000210270_100000103362 [0,0,0,1,0,1|0,0,2]=4 5903 B13R2.3205 CC1(CC1)COCC2CCCO2 7a_100000698024_100000203698 [0,0,0,1,0,1|1,0,1]=4 5904 B13R2.3205 FC1(CC1)COCC2CCCO2 7a_200000703853_100000203698 [0,0,0,1,0,1|1,0,1]=4 5905 B13R2.6859 CCC(=O)CC1CC2CCC1C2 1458a_100000211222_100000210202 [0,0,0,1,0,1|2,0,0]=4 5906 B13R2.6859 CCC(=O)CN1CC2CCC1C2 269982a_100000743476_100000747405 [0,0,0,1,0,1|2,0,0]=4 5907 B13R2.6859 CCC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000747405 [0,0,0,1,0,1|1,0,0]=3 5908 B13R2.6859 CCC(=O)NC1CC2CCC1C2 11a_100000758229_100000210414 [0,0,0,1,0,1|2,0,0]=4 5909 B13R2.6859 CCC(=O)NC1CC2CCC1C2 1626a_100000758229_100000210414 [0,0,0,1,0,1|2,0,0]=4 5910 B13R2.6859 CCC(=O)NC1CC2CCC1C2 240690a_100000758229_100000210414 [0,0,0,1,0,1|2,0,0]=4 5911 B13R2.6859 CCC(=O)NC1CC2CCC1C2 527a_100000758229_100000210414 [0,0,0,1,0,1|2,0,0]=4 5912 B13R2.6859 CNC(=O)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000183359 [0,0,0,1,0,1|2,0,0]=4 5913 B13R2.6859 CNC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000183359 [0,0,0,1,0,1|2,0,0]=4 5914 B13R2.6859 CNC(=O)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000183359 [0,0,0,1,0,1|2,0,0]=4 5915 B13R2.6859 COC(=O)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000747449 [0,0,0,1,0,1|2,0,0]=4 5916 B13R2.6859 COC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000747449 [0,0,0,1,0,1|2,0,0]=4 5917 B13R2.6859 COC(=O)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000747449 [0,0,0,1,0,1|2,0,0]=4 5918 B13R2.405 O=C1CCC1C(=O)[C@@H]2CCCO2 1458a_100000686382_100009892977 [0,1,0,1,0,0|1,0,1]=4 5919 B13R2.532 CCC(=O)N1CC2CCC(C1)O2 11a_100015188616_100000210414 [0,1,0,1,0,0|1,0,0]=3 5920 B13R2.532 CCC(=O)N1CC2CCC(C1)O2 1626a_100015188616_100000210414 [0,1,0,1,0,0|1,0,0]=3 5921 B13R2.532 CCC(=O)N1CC2CCC(C1)O2 240690a_100015188616_100000210414 [0,1,0,1,0,0|1,0,0]=3 5922 B13R2.532 CCC(=O)N1CC2CCC(C1)O2 527a_100015188616_100000210414 [0,1,0,1,0,0|1,0,0]=3 5923 B13R2.532 CNC(=O)N1CC2CCC(C1)O2 2708a_100102657272_100015188616 [0,1,0,1,0,0|2,0,0]=4 5924 B13R2.532 CNC(=O)N1CC2CCC(C1)O2 273464a_100102657272_100015188616 [0,1,0,1,0,0|2,0,0]=4 5925 B13R2.532 O=C(CO)N1CC2CCC(C1)O2 240690a_100015188616_100000210174 [0,1,0,1,0,0|2,0,0]=4 5926 B13R2.532 O=C(CO)N1CC2CCC(C1)O2 527a_100015188616_100000210174 [0,1,0,1,0,0|2,0,0]=4 5927 B13R2.1155 CCC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_100000210202 [0,1,0,1,0,0|1,0,1]=4 5928 B13R2.1155 CCC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100000210202 [0,1,0,1,0,0|1,0,1]=4 5929 B13R2.29 O=C1CCCC1OC2CCCO2 34a_100000085407_100000709159 [0,1,0,1,0,0|2,0,0]=4 5930 B13R2.29 O=C1OCCC1OC2CCCO2 34a_100000085407_100000211211 [0,1,0,1,0,0|2,0,0]=4 5931 B13R2.183 C1CCC(C1)OCC2CCCO2 34a_100000210270_100000179811 [0,1,0,1,0,0|1,0,1]=4 5932 B13R2.183 C1CCC(C1)OCC2CCCO2 7a_100000210269_100000203698 [0,1,0,1,0,0|1,0,1]=4 5933 B13R2.183 C1CCC(C1)OCC2CCCO2 7a_100000210270_100000179811 [0,1,0,1,0,0|1,0,1]=4 5934 B13R2.183 C1COC(C1)COC2CCOC2 34a_100000210270_100000690089 [0,1,0,1,0,0|0,0,2]=4 5935 B13R2.183 C1COC(C1)COC2CCOC2 7a_100000210270_100000731011 [0,1,0,1,0,0|0,0,2]=4 5936 B13R2.183 C1COC(C1)COC2CCSC2 7a_100011232664_100000203698 [0,1,0,1,0,0|0,1,1]=4 5937 B13R2.856 C#CCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100011220946 [0,1,0,1,0,0|1,0,1]=4 5938 B13R2.856 C#CCC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100011220946 [0,1,0,1,0,0|1,0,1]=4 5939 B13R2.856 C=CCC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000210193 [0,1,0,1,0,0|1,0,1]=4 5940 B13R2.856 C=CCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000210193 [0,1,0,1,0,0|1,0,1]=4 5941 B13R2.856 C=CCC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210193 [0,1,0,1,0,0|1,0,1]=4 5942 B13R2.856 C=CCC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210193 [0,1,0,1,0,0|1,0,1]=4 5943 B13R2.856 CC=CC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000210699 [0,1,0,1,0,0|1,0,1]=4 5944 B13R2.856 CC=CC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000210699 [0,1,0,1,0,0|1,0,1]=4 5945 B13R2.856 CC=CC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210699 [0,1,0,1,0,0|1,0,1]=4 5946 B13R2.856 CCCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210303 [0,1,0,1,0,0|2,0,0]=4 5947 B13R2.856 CCCC(=O)C1CC2CCC1C2 1458a_100000211992_100000727232 [0,1,0,1,0,0|2,0,0]=4 5948 B13R2.856 CCCC(=O)N1CC2CCC1C2 11a_100000743476_100000211992 [0,1,0,1,0,0|2,0,0]=4 5949 B13R2.856 CCCC(=O)N1CC2CCC1C2 1626a_100000743476_100000211992 [0,1,0,1,0,0|2,0,0]=4 5950 B13R2.856 CCCC(=O)N1CC2CCC1C2 240690a_100000743476_100000211992 [0,1,0,1,0,0|2,0,0]=4 5951 B13R2.856 CCCC(=O)N1CC2CCC1C2 527a_100000743476_100000211992 [0,1,0,1,0,0|2,0,0]=4 5952 B13R2.856 CCCC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000211992 [0,1,0,1,0,0|1,0,0]=3 5953 B13R2.856 CCCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000211992 [0,1,0,1,0,0|1,0,0]=3 5954 B13R2.856 CCCC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000211992 [0,1,0,1,0,0|1,0,0]=3 5955 B13R2.856 CCCC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000211992 [0,1,0,1,0,0|1,0,0]=3 5956 B13R2.856 CCNC(=O)C1CC2CCC1C2 11a_100015525214_100000181847 [0,1,0,1,0,0|2,0,0]=4 5957 B13R2.856 CCNC(=O)C1CC2CCC1C2 240690a_100015525214_100000181847 [0,1,0,1,0,0|2,0,0]=4 5958 B13R2.856 CCNC(=O)C1CC2CCC1C2 527a_100015525214_100000181847 [0,1,0,1,0,0|2,0,0]=4 5959 B13R2.856 CCNC(=O)N1CC2CCC1C2 2708a_100015525214_100000743476 [0,1,0,1,0,0|2,0,0]=4 5960 B13R2.856 CCNC(=O)N1CC2CCC1C2 273464a_100015525214_100000743476 [0,1,0,1,0,0|2,0,0]=4 5961 B13R2.856 CCNC(=O)N1C[C@H]2C[C@@H]1CO2 2708a_100015525214_100016995552 [0,1,0,1,0,0|1,0,0]=3 5962 B13R2.856 CCNC(=O)N1C[C@H]2C[C@@H]1CO2 273464a_100015525214_100016995552 [0,1,0,1,0,0|1,0,0]=3 5963 B13R2.856 COCC(=O)C1CC2CCC1C2 1458a_100000210968_100000727232 [0,1,0,1,0,0|2,0,0]=4 5964 B13R2.856 COCC(=O)N1CC2CCC1C2 11a_100000743476_100000210968 [0,1,0,1,0,0|2,0,0]=4 5965 B13R2.856 COCC(=O)N1CC2CCC1C2 1626a_100000743476_100000210968 [0,1,0,1,0,0|2,0,0]=4 5966 B13R2.856 COCC(=O)N1CC2CCC1C2 240690a_100000743476_100000210968 [0,1,0,1,0,0|2,0,0]=4 5967 B13R2.856 COCC(=O)N1CC2CCC1C2 527a_100000743476_100000210968 [0,1,0,1,0,0|2,0,0]=4 5968 B13R2.856 COCC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000210968 [0,1,0,1,0,0|1,0,0]=3 5969 B13R2.856 COCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000210968 [0,1,0,1,0,0|1,0,0]=3 5970 B13R2.856 COCC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210968 [0,1,0,1,0,0|1,0,0]=3 5971 B13R2.856 COCC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210968 [0,1,0,1,0,0|1,0,0]=3 5972 B13R2.856 CSCC(=O)C1CC2CCC1C2 1458a_100000184570_100000727232 [0,1,0,1,0,0|2,0,0]=4 5973 B13R2.856 CSCC(=O)N1CC2CCC1C2 11a_100000743476_100000184570 [0,1,0,1,0,0|2,0,0]=4 5974 B13R2.856 CSCC(=O)N1CC2CCC1C2 1626a_100000743476_100000184570 [0,1,0,1,0,0|2,0,0]=4 5975 B13R2.856 CSCC(=O)N1CC2CCC1C2 240690a_100000743476_100000184570 [0,1,0,1,0,0|2,0,0]=4 5976 B13R2.856 CSCC(=O)N1CC2CCC1C2 527a_100000743476_100000184570 [0,1,0,1,0,0|2,0,0]=4 5977 B13R2.856 CSCC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000184570 [0,1,0,1,0,0|1,0,0]=3 5978 B13R2.856 CSCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000184570 [0,1,0,1,0,0|1,0,0]=3 5979 B13R2.856 CSCC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000184570 [0,1,0,1,0,0|1,0,0]=3 5980 B13R2.856 CSCC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000184570 [0,1,0,1,0,0|1,0,0]=3 5981 B13R2.856 N#CCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100051588842 [0,1,0,1,0,0|1,0,1]=4 5982 B13R2.856 N#CCC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100051588842 [0,1,0,1,0,0|1,0,1]=4 5983 B13R2.856 O=C(CCF)C1CC2CCC1C2 1458a_100000181847_100011217306 [0,1,0,1,0,0|2,0,0]=4 5984 B13R2.856 O=C(CCO)C1CC2CCC1C2 1458a_100000181847_100000211926 [0,1,0,1,0,0|2,0,0]=4 5985 B13R2.856 O=C(CCO)C1CC2CCC1C2 1458a_100011216618_100000727232 [0,1,0,1,0,0|2,0,0]=4 5986 B13R2.856 O=C(CCO)N1CC2CCC1C2 240690a_100000743476_100011216618 [0,1,0,1,0,0|2,0,0]=4 5987 B13R2.856 O=C(CCO)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100011216618 [0,1,0,1,0,0|1,0,0]=3 5988 B13R2.3112 CC1(CCC1)OCC2CCCO2 7a_100000759064_100000203698 [0,1,0,1,0,0|1,0,1]=4 5989 B13R2.3112 CC1(CSC1)OCC2CCCO2 7a_100016018533_100000203698 [0,1,0,1,0,0|1,0,1]=4 5990 B13R2.6970 CC(OCC1CCCO1)C2CC2 7a_100000744524_100000203698 [0,1,0,1,0,0|1,0,1]=4 5991 B13R2.6970 O=C(CCC1CCCC1)C2CC2 1458a_100000210395_100000760354 [0,1,0,1,0,0|2,0,0]=4 5992 B13R2.6970 O=C(CCC1CCCC1)C2CO2 1458a_100000701028_100000760354 [0,1,0,1,0,0|2,0,0]=4 5993 B13R2.6970 O=C(CCC1OCCO1)C2CC2 1458a_100000210395_100000740749 [0,1,0,1,0,0|2,0,0]=4 5994 B13R2.6970 O=C(CCC1OCCO1)C2CO2 1458a_100000701028_100000740749 [0,1,0,1,0,0|2,0,0]=4 5995 B13R2.6970 O=C(COC1CCCO1)C2CC2 34a_100000085407_100000746382 [0,1,0,1,0,0|2,0,0]=4 5996 B13R2.6970 O=C(NCC1CCCC1)C2CC2 11a_100000737975_100000210395 [0,1,0,1,0,0|2,0,0]=4 5997 B13R2.6970 O=C(NCC1CCCC1)C2CC2 1626a_100000737975_100000210395 [0,1,0,1,0,0|2,0,0]=4 5998 B13R2.6970 O=C(NCC1CCCC1)C2CC2 240690a_100000737975_100000210395 [0,1,0,1,0,0|2,0,0]=4 5999 B13R2.6970 O=C(NCC1CCCC1)C2CC2 527a_100000737975_100000210395 [0,1,0,1,0,0|2,0,0]=4 6000 B13R2.6970 O=C(NCC1CCCC1)C2CO2 11a_100000737975_100000701028 [0,1,0,1,0,0|2,0,0]=4 6001 B13R2.6970 O=C(NCC1CCCC1)C2CO2 1626a_100000737975_100000701028 [0,1,0,1,0,0|2,0,0]=4 6002 B13R2.6970 O=C(NCC1CCCC1)C2CO2 240690a_100000737975_100000701028 [0,1,0,1,0,0|2,0,0]=4 6003 B13R2.6970 O=C(NCC1CCCC1)C2CO2 527a_100000737975_100000701028 [0,1,0,1,0,0|2,0,0]=4 6004 B13R2.6970 O=C(NCC1OCCO1)C2CC2 11a_100000036311_100000210395 [0,1,0,1,0,0|2,0,0]=4 6005 B13R2.6970 O=C(NCC1OCCO1)C2CC2 1626a_100000036311_100000210395 [0,1,0,1,0,0|2,0,0]=4 6006 B13R2.6970 O=C(NCC1OCCO1)C2CC2 527a_100000036311_100000210395 [0,1,0,1,0,0|2,0,0]=4 6007 B13R2.6970 O=C(NCC1OCCO1)C2CO2 11a_100000036311_100000701028 [0,1,0,1,0,0|2,0,0]=4 6008 B13R2.6970 O=C(NCC1OCCO1)C2CO2 1626a_100000036311_100000701028 [0,1,0,1,0,0|2,0,0]=4 6009 B13R2.6970 O=C(NCC1OCCO1)C2CO2 527a_100000036311_100000701028 [0,1,0,1,0,0|2,0,0]=4 6010 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CC2 11a_100020590478_100000210395 [0,1,0,1,0,0|1,0,0]=3 6011 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CC2 1626a_100020590478_100000210395 [0,1,0,1,0,0|1,0,0]=3 6012 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CC2 240690a_100020590478_100000210395 [0,1,0,1,0,0|1,0,0]=3 6013 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CC2 527a_100020590478_100000210395 [0,1,0,1,0,0|1,0,0]=3 6014 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CO2 11a_100020590478_100000701028 [0,1,0,1,0,0|1,0,0]=3 6015 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CO2 1626a_100020590478_100000701028 [0,1,0,1,0,0|1,0,0]=3 6016 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CO2 240690a_100020590478_100000701028 [0,1,0,1,0,0|1,0,0]=3 6017 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CO2 527a_100020590478_100000701028 [0,1,0,1,0,0|1,0,0]=3 6018 B13R2.6970 O=C(OCN1CCCC1)C2CC2 2230a_100000188435_100000140896 [0,1,0,1,0,0|2,0,0]=4 6019 B13R2.6970 O=C(OCN1CCCC1)C2CC2 269982a_100000188435_100000140896 [0,1,0,1,0,0|2,0,0]=4 6020 B13R2.531 CCC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100000210414 [0,1,0,1,0,0|2,0,0]=4 6021 B13R2.531 CCC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100000210414 [0,1,0,1,0,0|2,0,0]=4 6022 B13R2.15269 CCC(=O)C1CC2(C1)OCCO2 1458a_100000100527_100000210202 [0,1,0,1,0,0|2,0,0]=4 6023 B13R2.15269 CCC(=O)C1CC2(C1)OCCO2 1458a_100000210414_100009907966 [0,1,0,1,0,0|2,0,0]=4 6024 B13R2.2585 N#CC1(CC1)OCC2CCCO2 34a_100000210270_100009889376 [0,1,0,1,0,0|1,0,1]=4 6025 B13R2.4633 CCS(=O)(=O)N1C[C@H]2C[C@@H]1CO2 270084a_100016995552_100000211323 [0,1,0,1,0,0|2,0,0]=4 6026 B13R2.4633 CCS(=O)(=O)N1C[C@H]2C[C@@H]1CO2 274078a_100016995552_100000211323 [0,1,0,1,0,0|2,0,0]=4 6027 B13R2.4633 CCS(=O)(=O)N1C[C@H]2C[C@@H]1CO2 40a_100016995552_100000053943 [0,1,0,1,0,0|2,0,0]=4 6028 B13R2.7957 C=C(C)C(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000185857 [0,1,0,1,0,0|1,0,1]=4 6029 B13R2.7957 C=C(C)C(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000185857 [0,1,0,1,0,0|1,0,1]=4 6030 B13R2.7957 CC(C)C(=O)C1CC2CCC1C2 1458a_100000181847_100000210206 [0,1,0,1,0,0|2,0,0]=4 6031 B13R2.7957 CC(C)C(=O)C1CC2CCC1C2 1458a_100000210198_100000727232 [0,1,0,1,0,0|2,0,0]=4 6032 B13R2.7957 CC(C)C(=O)N1CC2CCC1C2 11a_100000743476_100000210198 [0,1,0,1,0,0|2,0,0]=4 6033 B13R2.7957 CC(C)C(=O)N1CC2CCC1C2 1626a_100000743476_100000210198 [0,1,0,1,0,0|2,0,0]=4 6034 B13R2.7957 CC(C)C(=O)N1CC2CCC1C2 240690a_100000743476_100000210198 [0,1,0,1,0,0|2,0,0]=4 6035 B13R2.7957 CC(C)C(=O)N1CC2CCC1C2 527a_100000743476_100000210198 [0,1,0,1,0,0|2,0,0]=4 6036 B13R2.7957 CC(C)C(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000210198 [0,1,0,1,0,0|1,0,0]=3 6037 B13R2.7957 CC(C)C(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000210198 [0,1,0,1,0,0|1,0,0]=3 6038 B13R2.7957 CC(C)C(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210198 [0,1,0,1,0,0|1,0,0]=3 6039 B13R2.7957 CC(C)C(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210198 [0,1,0,1,0,0|1,0,0]=3 6040 B13R2.7957 CC(F)C(=O)C1CC2CCC1C2 1458a_100000062450_100000727232 [0,1,0,1,0,0|2,0,0]=4 6041 B13R2.7957 CC(F)C(=O)N1CC2CCC1C2 11a_100000743476_100000062450 [0,1,0,1,0,0|2,0,0]=4 6042 B13R2.7957 CC(F)C(=O)N1CC2CCC1C2 1626a_100000743476_100000062450 [0,1,0,1,0,0|2,0,0]=4 6043 B13R2.7957 CC(F)C(=O)N1CC2CCC1C2 240690a_100000743476_100000062450 [0,1,0,1,0,0|2,0,0]=4 6044 B13R2.7957 CC(F)C(=O)N1CC2CCC1C2 527a_100000743476_100000062450 [0,1,0,1,0,0|2,0,0]=4 6045 B13R2.7957 CC(F)C(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000062450 [0,1,0,1,0,0|1,0,0]=3 6046 B13R2.7957 CC(F)C(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000062450 [0,1,0,1,0,0|1,0,0]=3 6047 B13R2.7957 CC(F)C(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000062450 [0,1,0,1,0,0|1,0,0]=3 6048 B13R2.7957 CC(F)C(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000062450 [0,1,0,1,0,0|1,0,0]=3 6049 B13R2.7957 C[C@@H](O)C(=O)C1CC2CCC1C2 1458a_100000717761_100000727232 [0,1,0,1,0,0|2,0,0]=4 6050 B13R2.7957 C[C@@H](O)C(=O)N1CC2CCC1C2 240690a_100000743476_100000717761 [0,1,0,1,0,0|2,0,0]=4 6051 B13R2.7957 C[C@@H](O)C(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000717761 [0,1,0,1,0,0|1,0,0]=3 6052 B13R2.7957 C[C@H](O)C(=O)C1CC2CCC1C2 1458a_217856618621_100000727232 [0,1,0,1,0,0|2,0,0]=4 6053 B13R2.7957 C[C@H](O)C(=O)N1CC2CCC1C2 1626a_100000743476_217856618621 [0,1,0,1,0,0|2,0,0]=4 6054 B13R2.7957 C[C@H](O)C(=O)N1CC2CCC1C2 240690a_100000743476_217856618621 [0,1,0,1,0,0|2,0,0]=4 6055 B13R2.7957 C[C@H](O)C(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_217856618621 [0,1,0,1,0,0|1,0,0]=3 6056 B13R2.7957 C[C@H](O)C(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_217856618621 [0,1,0,1,0,0|1,0,0]=3 6057 B13R2.7957 O=C(C(F)F)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000210393 [0,1,0,1,0,0|2,0,0]=4 6058 B13R2.7957 O=C(C(F)F)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000210393 [0,1,0,1,0,0|2,0,0]=4 6059 B13R2.7957 O=C(C(F)F)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210393 [0,1,0,1,0,0|2,0,0]=4 6060 B13R2.7957 O=C(C(F)F)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210393 [0,1,0,1,0,0|2,0,0]=4 6061 B13R2.7957 O=C(C(O)O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000233687 [0,1,0,1,0,0|2,0,0]=4 6062 B13R2.1151 CCC(=O)N1C[C@@H]2C[C@H]1CN2C 240690a_100025763010_100000210414 [0,1,0,1,0,0|2,0,0]=4 6063 B13R2.1151 CCC(=O)N1C[C@@H]2C[C@H]1CN2C 527a_100025763010_100000210414 [0,1,0,1,0,0|2,0,0]=4 6064 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,0,1,0,1,0|1,0,0]=3 6065 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000082724_100000210202 [0,0,1,0,1,0|1,0,0]=3 6066 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000210414_100000751394 [0,0,1,0,1,0|1,0,0]=3 6067 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,0,1,0,1,0|2,0,0]=4 6068 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,0,1,0,1,0|2,0,0]=4 6069 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,0,1,0,1,0|2,0,0]=4 6070 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [0,0,1,0,1,0|2,0,0]=4 6071 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [0,0,1,0,1,0|2,0,0]=4 6072 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [0,0,1,0,1,0|2,0,0]=4 6073 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [0,0,1,0,1,0|2,0,0]=4 6074 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [0,0,1,0,1,0|1,0,1]=4 6075 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [0,0,1,0,1,0|1,0,1]=4 6076 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,0,1,0,1,0|2,0,0]=4 6077 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,0,1,0,1,0|1,0,0]=3 6078 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,0,1,0,1,0|1,0,0]=3 6079 B9R0.26 CNC(=O)CC(OC)OC 11a_106832991635_100000082724 [0,0,1,0,1,0|2,0,0]=4 6080 B9R0.26 CNC(=O)CC(OC)OC 1626a_100102657272_100000082724 [0,0,1,0,1,0|2,0,0]=4 6081 B9R0.26 CNC(=O)CC(OC)OC 240690a_100102657272_100000082724 [0,0,1,0,1,0|2,0,0]=4 6082 B9R0.26 CNC(=O)CC(OC)OC 527a_100102657272_100000082724 [0,0,1,0,1,0|2,0,0]=4 6083 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [0,0,1,0,1,0|2,0,0]=4 6084 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [0,0,1,0,1,0|2,0,0]=4 6085 B9R0.26 COC(CC(=O)CF)OC 1458a_100000082724_100015361967 [0,0,1,0,1,0|2,0,0]=4 6086 B9R0.26 COC(CC(=O)CO)OC 1458a_100000210174_100000751394 [0,0,1,0,1,0|2,0,0]=4 6087 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,0,1,0,1,0|1,0,1]=4 6088 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,0,1,0,1,0|0,0,2]=4 6089 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,0,1,0,1,0|0,0,2]=4 6090 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,0,1,0,1,0|1,0,0]=3 6091 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,0,1,0,1,0|1,0,0]=3 6092 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,0,1,0,1,0|2,0,0]=4 6093 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,0,1,0,1,0|2,0,0]=4 6094 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,0,1,0,1,0|2,0,0]=4 6095 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,0,1,0,1,0|2,0,0]=4 6096 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,0,1,0,1,0|2,0,0]=4 6097 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,0,1,0,1,0|2,0,0]=4 6098 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,0,1,0,1,0|2,0,0]=4 6099 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,0,1,0,1,0|2,0,0]=4 6100 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,0,1,0,1,0|2,0,0]=4 6101 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,0,1,0,1,0|2,0,0]=4 6102 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,0,1,0,1,0|2,0,0]=4 6103 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,0,1,0,1,0|1,0,1]=4 6104 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,0,1,0,1,0|2,0,0]=4 6105 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,0,1,0,1,0|1,0,1]=4 6106 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,0,1,0,1,0|1,0,1]=4 6107 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,0,1,0,1,0|1,0,0]=3 6108 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,0,1,0,1,0|0,1,0]=3 6109 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,0,1,0,1,0|1,1,0]=4 6110 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,0,1,0,1,0|1,1,0]=4 6111 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,0,1,0,1,0|1,1,0]=4 6112 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,0,1,0,1,0|1,1,0]=4 6113 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,0,1,0,1,0|1,1,0]=4 6114 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,0,1,0,1,0|1,1,0]=4 6115 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,0,1,0,1,0|1,1,0]=4 6116 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,0,1,0,1,0|2,0,0]=4 6117 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,0,1,0,1,0|2,0,0]=4 6118 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,0,1,0,1,0|2,0,0]=4 6119 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,0,1,0,1,0|2,0,0]=4 6120 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,0,1,0,1,0|2,0,0]=4 6121 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,0,1,0,1,0|2,0,0]=4 6122 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,0,1,0,1,0|2,0,0]=4 6123 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [1,0,0,0,1,0|1,0,1]=4 6124 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [1,0,0,0,1,0|1,0,1]=4 6125 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [1,0,0,0,1,0|2,0,0]=4 6126 B9R1.17 CCC=NNC1CCC1 4a_100000736358_100000210100 [1,0,0,0,1,0|2,0,0]=4 6127 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,0,1,0|1,0,1]=4 6128 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,0,1,0|1,0,1]=4 6129 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,0,1,0|1,0,1]=4 6130 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,0,1,0|1,0,1]=4 6131 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,0,1,0|1,0,1]=4 6132 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,0,1,0|0,0,1]=3 6133 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,0,1,0|0,0,1]=3 6134 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,0,1,0|0,0,1]=3 6135 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,0,1,0|0,0,1]=3 6136 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [1,0,0,0,1,0|1,0,1]=4 6137 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [1,0,0,0,1,0|1,0,1]=4 6138 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [1,0,0,0,1,0|1,0,1]=4 6139 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,0,1,0|0,1,1]=4 6140 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,0,1,0|0,1,1]=4 6141 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,0,1,0|0,1,1]=4 6142 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,0,1,0|0,1,1]=4 6143 B9R1.17 CSCOCC1CCC1 34a_100000760304_100011218213 [1,0,0,0,1,0|1,0,1]=4 6144 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [1,0,0,0,1,0|1,0,1]=4 6145 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [1,0,0,0,1,0|1,0,1]=4 6146 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [1,0,0,0,1,0|1,0,1]=4 6147 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [1,0,0,0,1,0|1,0,1]=4 6148 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [1,0,0,0,1,0|1,0,1]=4 6149 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,0,1,0|1,0,1]=4 6150 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [1,0,0,0,1,0|1,0,1]=4 6151 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [1,0,0,0,1,0|1,0,1]=4 6152 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,0,1,0|1,0,1]=4 6153 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,0,1,0|1,0,0]=3 6154 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,0,1,0|1,0,0]=3 6155 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,0,1,0|0,0,0]=2 6156 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,0,1,0|2,0,0]=4 6157 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,0,1,0|2,0,0]=4 6158 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [1,0,0,0,1,0|1,0,0]=3 6159 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,0,1,0|2,0,0]=4 6160 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,0,1,0|2,0,0]=4 6161 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,0,1,0|2,0,0]=4 6162 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,0,1,0|2,0,0]=4 6163 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,0,1,0|2,0,0]=4 6164 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [1,0,0,0,1,0|1,0,1]=4 6165 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [1,0,0,0,1,0|2,0,0]=4 6166 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [1,0,0,0,1,0|2,0,0]=4 6167 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [1,0,0,0,1,0|2,0,0]=4 6168 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [1,0,0,0,1,0|2,0,0]=4 6169 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [1,0,0,0,1,0|2,0,0]=4 6170 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [1,0,0,0,1,0|2,0,0]=4 6171 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [1,0,0,0,1,0|2,0,0]=4 6172 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [1,0,0,0,1,0|2,0,0]=4 6173 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [1,0,0,0,1,0|1,0,1]=4 6174 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,0,1,0|1,0,1]=4 6175 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,0,1,0|1,0,0]=3 6176 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,0,1,0|2,0,0]=4 6177 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,0,1,0|2,0,0]=4 6178 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [1,0,0,0,1,0|2,0,0]=4 6179 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [1,0,0,0,1,0|2,0,0]=4 6180 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [1,0,0,0,1,0|1,0,0]=3 6181 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [1,0,0,0,1,0|1,0,0]=3 6182 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [1,0,0,0,1,0|1,0,0]=3 6183 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [1,0,0,0,1,0|1,0,0]=3 6184 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [1,0,0,0,1,0|2,0,0]=4 6185 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [1,0,0,0,1,0|2,0,0]=4 6186 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [1,0,0,0,1,0|2,0,0]=4 6187 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [1,0,0,0,1,0|2,0,0]=4 6188 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [1,0,0,0,1,0|1,0,0]=3 6189 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [1,0,0,0,1,0|1,0,0]=3 6190 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [1,0,0,0,1,0|1,0,0]=3 6191 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [1,0,0,0,1,0|1,0,0]=3 6192 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [1,0,0,0,1,0|2,0,0]=4 6193 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [1,0,0,0,1,0|1,0,0]=3 6194 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [1,0,0,0,1,0|1,0,1]=4 6195 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [1,0,0,0,1,0|1,0,1]=4 6196 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [1,0,0,0,1,0|1,0,1]=4 6197 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [1,0,0,0,1,0|1,0,1]=4 6198 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,0,2,0|1,0,1]=4 6199 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,0,2,0|1,0,0]=3 6200 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,0,2,0|1,0,0]=3 6201 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,0,2,0|0,1,0]=3 6202 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,0,0,2,0|2,0,0]=4 6203 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,0,0,2,0|2,0,0]=4 6204 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,0,2,0|2,0,0]=4 6205 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,0,2,0|2,0,0]=4 6206 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,0,2,0|0,0,0]=2 6207 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,0,2,0|2,0,0]=4 6208 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,0,2,0|2,0,0]=4 6209 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,0,2,0|2,0,0]=4 6210 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,0,2,0|2,0,0]=4 6211 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,0,0,0,2,0|1,1,0]=4 6212 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,0,0,0,2,0|1,1,0]=4 6213 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,0,0,0,2,0|1,1,0]=4 6214 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,0,0,0,2,0|1,1,0]=4 6215 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,0,0,0,2,0|1,0,0]=3 6216 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,0,0,0,2,0|1,0,0]=3 6217 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,0,0,0,2,0|1,0,0]=3 6218 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,0,0,0,2,0|1,0,0]=3 6219 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,0,0,0,2,0|2,0,0]=4 6220 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,0,0,0,2,0|1,1,0]=4 6221 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,0,0,0,2,0|1,0,0]=3 6222 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,0,0,0,2,0|2,0,0]=4 6223 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,0,0,0,2,0|0,0,2]=4 6224 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,0,0,0,2,0|0,0,2]=4 6225 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,0,0,0,2,0|0,0,2]=4 6226 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,0,0,0,2,0|0,0,2]=4 6227 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,0,0,0,2,0|0,0,2]=4 6228 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,0,0,2,0|0,0,0]=2 6229 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,0,0,2,0|0,0,0]=2 6230 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,0,0,2,0|0,0,0]=2 6231 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,0,0,0,2,0|1,0,0]=3 6232 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,0,0,0,2,0|1,0,0]=3 6233 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,0,0,2,0|1,0,0]=3 6234 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,0,0,2,0|1,0,0]=3 6235 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,0,0,2,0|1,0,0]=3 6236 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,0,0,2,0|1,0,0]=3 6237 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,0,0,2,0|1,0,0]=3 6238 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,0,0,0,2,0|2,0,0]=4 6239 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,0,0,0,2,0|2,0,0]=4 6240 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,0,0,0,2,0|2,0,0]=4 6241 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,0,0,0,2,0|2,0,0]=4 6242 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,0,0,0,2,0|2,0,0]=4 6243 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,0,0,0,2,0|2,0,0]=4 6244 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,0,0,0,2,0|2,0,0]=4 6245 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,0,0,0,2,0|2,0,0]=4 6246 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,0,0,0,2,0|1,0,1]=4 6247 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [0,0,0,0,2,0|2,0,0]=4 6248 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [0,0,0,0,2,0|2,0,0]=4 6249 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [0,0,0,0,2,0|2,0,0]=4 6250 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [0,0,0,0,2,0|2,0,0]=4 6251 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [0,0,0,0,2,0|2,0,0]=4 6252 B9R1.79 CCN(C)CC1CCO1 2230a_100000225621_100000103362 [0,0,0,0,2,0|2,0,0]=4 6253 B9R1.79 CCN(C)CC1CCO1 269982a_100000225621_100000103362 [0,0,0,0,2,0|2,0,0]=4 6254 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,0,0,2,0|1,0,0]=3 6255 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,0,0,2,0|1,0,0]=3 6256 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,0,0,2,0|1,0,0]=3 6257 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,0,0,2,0|1,0,0]=3 6258 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,0,0,0,2,0|2,0,0]=4 6259 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,0,0,0,2,0|2,0,0]=4 6260 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,0,0,0,2,0|2,0,0]=4 6261 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,0,0,0,2,0|2,0,0]=4 6262 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,0,0,0,2,0|2,0,0]=4 6263 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,0,0,0,2,0|2,0,0]=4 6264 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,0,0,0,2,0|2,0,0]=4 6265 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,0,0,0,2,0|2,0,0]=4 6266 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,0,0,0,2,0|2,0,0]=4 6267 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,0,0,0,2,0|1,0,0]=3 6268 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,0,0,0,2,0|2,0,0]=4 6269 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,0,0,2,0|1,0,0]=3 6270 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,0,0,0,2,0|1,0,0]=3 6271 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,0,0,0,2,0|2,0,0]=4 6272 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,0,0,0,2,0|2,0,0]=4 6273 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,0,0,0,2,0|2,0,0]=4 6274 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,0,0,0,2,0|1,0,1]=4 6275 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,0,0,2,0|1,0,0]=3 6276 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,0,0,2,0|1,0,0]=3 6277 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,0,0,2,0|1,0,0]=3 6278 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,0,0,2,0|2,0,0]=4 6279 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,0,0,2,0|2,0,0]=4 6280 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,0,0,2,0|1,0,0]=3 6281 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,0,0,2,0|1,0,0]=3 6282 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,0,0,2,0|1,0,0]=3 6283 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,0,0,2,0|1,0,0]=3 6284 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,0,0,0,2,0|2,0,0]=4 6285 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,0,0,0,2,0|1,0,1]=4 6286 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,0,0,0,2,0|1,0,1]=4 6287 B9R1.80 CCC(C)OCC1CO1 7a_100000210228_102125554688 [0,0,0,0,2,0|1,0,1]=4 6288 B9R1.80 CCC(C)OC[C@@H]1CO1 34a_100000757423_100011215416 [0,0,0,0,2,0|1,0,1]=4 6289 B9R1.80 CCC(C)OC[C@@H]1CO1 7a_100000210228_100000745022 [0,0,0,0,2,0|1,0,1]=4 6290 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,0,0,2,0|2,0,0]=4 6291 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,0,0,2,0|2,0,0]=4 6292 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,0,0,2,0|2,0,0]=4 6293 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,0,0,2,0|2,0,0]=4 6294 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,0,0,0,2,0|2,0,0]=4 6295 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,0,0,0,2,0|2,0,0]=4 6296 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,0,0,0,2,0|2,0,0]=4 6297 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,0,0,0,2,0|2,0,0]=4 6298 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,0,0,0,2,0|2,0,0]=4 6299 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,0,0,0,2,0|2,0,0]=4 6300 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,0,0,0,2,0|2,0,0]=4 6301 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,0,0,0,2,0|2,0,0]=4 6302 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,0,0,0,2,0|2,0,0]=4 6303 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,0,0,0,2,0|2,0,0]=4 6304 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,0,0,0,2,0|2,0,0]=4 6305 B11R0.200 CCC(=O)CCCC(OC)OC 1458a_100000210414_100000069011 [0,0,1,0,0,1|2,0,0]=4 6306 B11R0.200 CCC(=O)COCC(CC)CC 34a_100000725409_100011215472 [0,0,1,0,0,1|1,0,0]=3 6307 B11R0.200 CCC(=O)COCC(CC)CC 7a_100000703878_100000747405 [0,0,1,0,0,1|1,0,0]=3 6308 B11R0.200 CCC(=O)COCC(CC)OC 7a_100011934954_100000747405 [0,0,1,0,0,1|0,0,0]=2 6309 B11R0.200 CCC(=O)COCC(OC)OC 34a_100000725409_100000211822 [0,0,1,0,0,1|1,0,0]=3 6310 B11R0.200 CCC(=O)COCN(CC)CC 7a_200015374951_100000747405 [0,0,1,0,0,1|2,0,0]=4 6311 B11R0.200 CCC(=O)CSCC(CC)CC 62a_100000747405_100011215472 [0,0,1,0,0,1|1,1,0]=4 6312 B11R0.200 CCC(=O)CSCC(CC)CC 62a_100011215472_100000747405 [0,0,1,0,0,1|1,1,0]=4 6313 B11R0.200 CCC(=O)CSCC(OC)OC 62a_100000747405_100000751394 [0,0,1,0,0,1|1,1,0]=4 6314 B11R0.200 CCC(=O)CSCC(OC)OC 62a_100000751394_100000747405 [0,0,1,0,0,1|1,1,0]=4 6315 B11R0.200 CCC(C)COCC(CC)OC 34a_100011934954_100000748023 [0,0,1,0,0,1|1,0,1]=4 6316 B11R0.200 CCC(C)COCC(CC)OC 7a_100011934954_100000748023 [0,0,1,0,0,1|1,0,1]=4 6317 B11R0.200 CCC(CC)COCC(=O)NC 34a_100000750040_100011215472 [0,0,1,0,0,1|2,0,0]=4 6318 B11R0.200 CCC(CC)COCC(=O)NC 7a_100000703878_100000183359 [0,0,1,0,0,1|2,0,0]=4 6319 B11R0.200 CCC(CC)COCC(=O)OC 7a_100000703878_100000747449 [0,0,1,0,0,1|2,0,0]=4 6320 B11R0.200 CCC(CC)SCOC(=O)OC 62a_100000210505_100000139417 [0,0,1,0,0,1|2,0,0]=4 6321 B11R0.200 CCC(COCC(=O)NC)OC 34a_100011934954_100000183359 [0,0,1,0,0,1|1,0,0]=3 6322 B11R0.200 CCC(COCC(=O)NC)OC 7a_100011934954_100000183359 [0,0,1,0,0,1|1,0,0]=3 6323 B11R0.200 CCC(COCC(=O)OC)OC 34a_100011934954_100000747449 [0,0,1,0,0,1|1,0,0]=3 6324 B11R0.200 CCC(COCC(=O)OC)OC 7a_100011934954_100000747449 [0,0,1,0,0,1|1,0,0]=3 6325 B11R0.200 CCC(COC[C@@H](C)CC)OC 34a_100011934954_100009816398 [0,0,1,0,0,1|1,0,1]=4 6326 B11R0.200 CCC(COC[C@@H](C)CC)OC 7a_100011934954_100009816398 [0,0,1,0,0,1|1,0,1]=4 6327 B11R0.200 CCC(O)COCC(CC)OC 34a_100011934954_100011218378 [0,0,1,0,0,1|0,0,2]=4 6328 B11R0.200 CCC(O)COCC(CC)OC 7a_100011934954_100011218378 [0,0,1,0,0,1|0,0,2]=4 6329 B11R0.200 CNC(=O)COCC(OC)OC 34a_100000750040_100000211822 [0,0,1,0,0,1|2,0,0]=4 6330 B11R0.200 CNC(=O)COCC(OC)OC 34a_100011216393_100000183359 [0,0,1,0,0,1|2,0,0]=4 6331 B11R0.200 COC(=O)COCC(OC)OC 34a_100011216393_100000747449 [0,0,1,0,0,1|2,0,0]=4 6332 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [1,0,0,0,0,1|1,0,1]=4 6333 B11R1.28 BrCCOCC1CCCOC1 34a_100000211926_100000741521 [1,0,0,0,0,1|1,0,1]=4 6334 B11R1.28 CC/C=C\CN1CCCOC1 2230a_100000131196_100103147603 [1,0,0,0,0,1|2,0,0]=4 6335 B11R1.28 CC/C=C\CN1CCCOC1 269982a_100000131196_100103147603 [1,0,0,0,0,1|2,0,0]=4 6336 B11R1.28 CC/C=C\CN1CCCOC1 34a_100000131196_100103147603 [1,0,0,0,0,1|2,0,0]=4 6337 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,0,0,1|1,0,1]=4 6338 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,0,0,1|1,0,1]=4 6339 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [1,0,0,0,0,1|1,0,1]=4 6340 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [1,0,0,0,0,1|1,0,1]=4 6341 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [1,0,0,0,0,1|1,0,1]=4 6342 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [1,0,0,0,0,1|1,0,1]=4 6343 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [1,0,0,0,0,1|0,0,2]=4 6344 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [1,0,0,0,0,1|1,0,1]=4 6345 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [1,0,0,0,0,1|1,0,1]=4 6346 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [1,0,0,0,0,1|1,0,1]=4 6347 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [1,0,0,0,0,1|1,0,1]=4 6348 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,0,0,1|0,0,1]=3 6349 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,0,0,1|0,0,1]=3 6350 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,0,0,1|0,0,1]=3 6351 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [1,0,0,0,0,1|1,0,1]=4 6352 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [1,0,0,0,0,1|0,0,1]=3 6353 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [1,0,0,0,0,1|0,0,1]=3 6354 B11R1.28 CCCOCC1CCNCC1 34a_100000738675_100000210303 [1,0,0,0,0,1|1,0,1]=4 6355 B11R1.28 CCCOCC1CCOCC1 34a_100000210258_100000754603 [1,0,0,0,0,1|1,0,1]=4 6356 B11R1.28 CCCOCC1CCOCC1 34a_100000749013_100000210303 [1,0,0,0,0,1|1,0,1]=4 6357 B11R1.28 CCCOCC1CCSCC1 34a_100000070558_100000210303 [1,0,0,0,0,1|1,0,1]=4 6358 B11R1.28 CCCOCC1CCSCC1 7a_100000070558_100000210303 [1,0,0,0,0,1|1,0,1]=4 6359 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [1,0,0,0,0,1|0,0,1]=3 6360 B11R1.28 CCCOC[C@@H]1COCCN1 34a_100000717676_100000210303 [1,0,0,0,0,1|1,0,1]=4 6361 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [1,0,0,0,0,1|0,0,1]=3 6362 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,0,0,1|0,1,1]=4 6363 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,0,0,1|0,1,1]=4 6364 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [1,0,0,0,0,1|0,1,1]=4 6365 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [1,0,0,0,0,1|0,1,1]=4 6366 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [1,0,0,0,0,1|2,0,0]=4 6367 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [1,0,0,0,0,1|2,0,0]=4 6368 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [1,0,0,0,0,1|2,0,0]=4 6369 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [1,0,0,0,0,1|2,0,0]=4 6370 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [1,0,0,0,0,1|2,0,0]=4 6371 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [1,0,0,0,0,1|2,0,0]=4 6372 B11R1.28 CSCOCC1CCCCO1 34a_100000211370_100011218213 [1,0,0,0,0,1|1,0,1]=4 6373 B11R1.28 CSCOCC1CCCOC1 34a_100000741520_100011218213 [1,0,0,0,0,1|1,0,1]=4 6374 B11R1.28 CSCOC[C@@H]1CNCCO1 34a_100015189573_100011218213 [1,0,0,0,0,1|1,0,1]=4 6375 B11R1.28 CSCOC[C@H]1COCCO1 34a_100009875890_100011218213 [1,0,0,0,0,1|1,0,1]=4 6376 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [1,0,0,0,0,1|1,0,1]=4 6377 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [1,0,0,0,0,1|1,0,1]=4 6378 B11R1.28 FCCOCC1CCCOC1 34a_100000741520_100011217306 [1,0,0,0,0,1|1,0,1]=4 6379 B11R1.28 FCCOC[C@@H]1CNCCO1 34a_100015189573_100011217306 [1,0,0,0,0,1|1,0,1]=4 6380 B11R1.28 FCCOC[C@H]1COCCO1 34a_100009875890_100011217306 [1,0,0,0,0,1|1,0,1]=4 6381 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [1,0,0,0,0,1|1,0,1]=4 6382 B11R1.28 NCCOCC1CCCOC1 34a_100000210304_100000741521 [1,0,0,0,0,1|1,0,1]=4 6383 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [1,0,0,0,0,1|1,0,1]=4 6384 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [1,0,0,0,0,1|1,0,1]=4 6385 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [1,0,0,0,0,1|1,0,1]=4 6386 B11R1.28 OCCOC[C@@H]1CNCCO1 34a_100015189573_100000211926 [1,0,0,0,0,1|1,0,1]=4 6387 B11R1.28 OCCOC[C@H]1COCCO1 34a_100009875890_100000211926 [1,0,0,0,0,1|1,0,1]=4 6388 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,0,0,1|2,0,0]=4 6389 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,0,0,1|2,0,0]=4 6390 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,0,0,0,1|2,0,0]=4 6391 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [1,0,0,0,0,1|1,0,0]=3 6392 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [1,0,0,0,0,1|2,0,0]=4 6393 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [1,0,0,0,0,1|2,0,0]=4 6394 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [1,0,0,0,0,1|2,0,0]=4 6395 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,0,0,1|2,0,0]=4 6396 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,0,0,1|2,0,0]=4 6397 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,0,0,1|2,0,0]=4 6398 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,0,0,1|2,0,0]=4 6399 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [1,0,0,0,0,1|1,0,0]=3 6400 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [1,0,0,0,0,1|1,0,0]=3 6401 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [1,0,0,0,0,1|1,0,0]=3 6402 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [1,0,0,0,0,1|1,0,0]=3 6403 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [1,0,0,0,0,1|1,0,0]=3 6404 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [1,0,0,0,0,1|1,0,0]=3 6405 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [1,0,0,0,0,1|1,0,0]=3 6406 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [1,0,0,0,0,1|1,0,0]=3 6407 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [1,0,0,0,0,1|2,0,0]=4 6408 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [1,0,0,0,0,1|2,0,0]=4 6409 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [1,0,0,0,0,1|2,0,0]=4 6410 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [1,0,0,0,0,1|2,0,0]=4 6411 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [1,0,0,0,0,1|2,0,0]=4 6412 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [1,0,0,0,0,1|2,0,0]=4 6413 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [1,0,0,0,0,1|2,0,0]=4 6414 B11R1.91 CC(=O)NC[C@H]1COCCO1 11a_100010981119_100015343762 [1,0,0,0,0,1|1,0,0]=3 6415 B11R1.91 CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100015343762 [1,0,0,0,0,1|1,0,0]=3 6416 B11R1.91 CC(=O)NC[C@H]1COCCO1 240690a_100010981119_100015343762 [1,0,0,0,0,1|1,0,0]=3 6417 B11R1.91 CC(=O)NC[C@H]1COCCO1 527a_100010981119_100103153847 [1,0,0,0,0,1|1,0,0]=3 6418 B11R1.91 CC(=O)OCN1CCCOC1 269982a_100000131196_100000076356 [1,0,0,0,0,1|1,0,0]=3 6419 B11R1.91 CC(=O)OCN1CCCOC1 34a_100000131196_100009813279 [1,0,0,0,0,1|1,0,0]=3 6420 B11R1.91 CC(=O)OCN1CCOCC1 269982a_100015191051_100000076356 [1,0,0,0,0,1|2,0,0]=4 6421 B11R1.91 CC(=O)OCN1CCOCC1 34a_100015191051_100009813279 [1,0,0,0,0,1|2,0,0]=4 6422 B11R1.91 CC(=O)OCN1CCSCC1 269982a_100000737611_100000076356 [1,0,0,0,0,1|2,0,0]=4 6423 B11R1.91 CC(C)OCC1CCCCO1 34a_100000211370_100000210206 [1,0,0,0,0,1|1,0,1]=4 6424 B11R1.91 CC(C)OCC1CCCCO1 34a_100000212225_100000211543 [1,0,0,0,0,1|1,0,1]=4 6425 B11R1.91 CC(C)OCC1CCCCO1 7a_100000211370_100000210206 [1,0,0,0,0,1|1,0,1]=4 6426 B11R1.91 CC(C)OCC1CCCOC1 34a_100000212225_100000741521 [1,0,0,0,0,1|1,0,1]=4 6427 B11R1.91 CC(C)OCC1CCCOC1 34a_100000741520_100000210206 [1,0,0,0,0,1|1,0,1]=4 6428 B11R1.91 CC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000210206 [1,0,0,0,0,1|1,0,1]=4 6429 B11R1.91 CC(C)OC[C@H]1COCCO1 34a_100009875890_100000210206 [1,0,0,0,0,1|1,0,1]=4 6430 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,0,0,1|2,0,0]=4 6431 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [1,0,0,0,0,1|2,0,0]=4 6432 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,0,0,0,0,2|2,0,0]=4 6433 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,0,0,0,0,2|2,0,0]=4 6434 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [0,0,0,0,0,2|2,0,0]=4 6435 B13R1.718 CCC(=O)CCOC1CCCCO1 1458a_100000210414_100000744793 [0,0,0,0,0,2|1,0,0]=3 6436 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [0,0,0,0,0,2|1,0,0]=3 6437 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [0,0,0,0,0,2|1,0,0]=3 6438 B13R1.718 CCC(=O)COCC1CCCCO1 1458a_100011223378_100000210202 [0,0,0,0,0,2|0,0,0]=2 6439 B13R1.718 CCC(=O)COCC1CCCCO1 34a_100000725409_100000211543 [0,0,0,0,0,2|0,0,0]=2 6440 B13R1.718 CCC(=O)COCC1CCCCO1 7a_100000211370_100000747405 [0,0,0,0,0,2|0,0,0]=2 6441 B13R1.718 CCC(=O)COCC1CCCOC1 34a_100000725409_100000741521 [0,0,0,0,0,2|0,0,0]=2 6442 B13R1.718 CCC(=O)COCC1CCOCC1 34a_100000725409_100000754603 [0,0,0,0,0,2|1,0,0]=3 6443 B13R1.718 CCC(=O)COCC1CCSCC1 7a_100000070558_100000747405 [0,0,0,0,0,2|1,0,0]=3 6444 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [0,0,0,0,0,2|1,1,0]=4 6445 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [0,0,0,0,0,2|1,1,0]=4 6446 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000211543_100000747405 [0,0,0,0,0,2|0,1,0]=3 6447 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000747405_100000211543 [0,0,0,0,0,2|0,1,0]=3 6448 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000741521_100000747405 [0,0,0,0,0,2|0,1,0]=3 6449 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000747405_100000741521 [0,0,0,0,0,2|0,1,0]=3 6450 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000747405_100000749018 [0,0,0,0,0,2|1,1,0]=4 6451 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000754603_100000747405 [0,0,0,0,0,2|1,1,0]=4 6452 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [0,0,0,0,0,2|2,0,0]=4 6453 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [0,0,0,0,0,2|2,0,0]=4 6454 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [0,0,0,0,0,2|2,0,0]=4 6455 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [0,0,0,0,0,2|2,0,0]=4 6456 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [0,0,0,0,0,2|1,0,0]=3 6457 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [0,0,0,0,0,2|1,0,0]=3 6458 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [0,0,0,0,0,2|1,0,0]=3 6459 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [0,0,0,0,0,2|1,0,0]=3 6460 B13R1.718 CCC(=O)NCCC1CCOCC1 11a_100000755988_100000210414 [0,0,0,0,0,2|2,0,0]=4 6461 B13R1.718 CCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210414 [0,0,0,0,0,2|2,0,0]=4 6462 B13R1.718 CCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210414 [0,0,0,0,0,2|2,0,0]=4 6463 B13R1.718 CCC(=O)NCCC1CCOCC1 527a_100000755988_100000210414 [0,0,0,0,0,2|2,0,0]=4 6464 B13R1.718 CCC(=O)NN=CC1CCCOC1 4a_100000183195_100000753300 [0,0,0,0,0,2|1,0,1]=4 6465 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [0,0,0,0,0,2|2,0,0]=4 6466 B13R1.718 CCC(=O)NNCC1CCOCC1 22a_200000757053_100000210414 [0,0,0,0,0,2|2,0,0]=4 6467 B13R1.718 CCC(C)COCC1CCCCO1 34a_100000211370_100000748023 [0,0,0,0,0,2|1,0,1]=4 6468 B13R1.718 CCC(C)COCC1CCCCO1 7a_100000211370_100000748023 [0,0,0,0,0,2|1,0,1]=4 6469 B13R1.718 CCC(C)COCC1CCCOC1 34a_100000741520_100000748023 [0,0,0,0,0,2|1,0,1]=4 6470 B13R1.718 CCC(C)COC[C@@H]1CNCCO1 34a_100015189573_100000748023 [0,0,0,0,0,2|1,0,1]=4 6471 B13R1.718 CCC(C)COC[C@H]1COCCO1 34a_100009875890_100000748023 [0,0,0,0,0,2|1,0,1]=4 6472 B13R1.718 CCC(C)OCCC1OCCCO1 7a_100000210228_100000764188 [0,0,0,0,0,2|1,0,1]=4 6473 B13R1.718 CCC(O)COCC1CCCCO1 34a_100000211370_100011218378 [0,0,0,0,0,2|0,0,2]=4 6474 B13R1.718 CCC(O)COCC1CCCCO1 7a_100000211370_100011218378 [0,0,0,0,0,2|0,0,2]=4 6475 B13R1.718 CCC(O)COCC1CCCOC1 34a_100000741520_100011218378 [0,0,0,0,0,2|0,0,2]=4 6476 B13R1.718 CCC(O)COC[C@@H]1CNCCO1 34a_100015189573_100011218378 [0,0,0,0,0,2|0,0,2]=4 6477 B13R1.718 CCC(O)COC[C@H]1COCCO1 34a_100009875890_100011218378 [0,0,0,0,0,2|0,0,2]=4 6478 B13R1.718 CC[C@H](C)COCC1CCCCO1 34a_100000211370_100009816398 [0,0,0,0,0,2|1,0,1]=4 6479 B13R1.718 CC[C@H](C)COCC1CCCCO1 7a_100000211370_100009816398 [0,0,0,0,0,2|1,0,1]=4 6480 B13R1.718 CC[C@H](C)COCC1CCCCO1 7a_100009816381_100000211543 [0,0,0,0,0,2|1,0,1]=4 6481 B13R1.718 CC[C@H](C)COCC1CCCOC1 34a_100000741520_100009816398 [0,0,0,0,0,2|1,0,1]=4 6482 B13R1.718 CC[C@H](C)COCC1CCCOC1 7a_100009816381_100000741521 [0,0,0,0,0,2|1,0,1]=4 6483 B13R1.718 CC[C@H](C)COC[C@@H]1CNCCO1 34a_100015189573_100009816398 [0,0,0,0,0,2|1,0,1]=4 6484 B13R1.718 CC[C@H](C)COC[C@H]1COCCO1 34a_100009875890_100009816398 [0,0,0,0,0,2|1,0,1]=4 6485 B13R1.718 CNC(=O)CCNC1CCCOC1 2230a_100000719290_100000737683 [0,0,0,0,0,2|2,0,0]=4 6486 B13R1.718 CNC(=O)CCNC1CCCOC1 270004a_100000738227_100000753404 [0,0,0,0,0,2|2,0,0]=4 6487 B13R1.718 CNC(=O)CCNC1CCCOC1 34a_100000719290_100012179268 [0,0,0,0,0,2|2,0,0]=4 6488 B13R1.718 CNC(=O)CCNC1CCCOC1 34a_100000738227_100000693364 [0,0,0,0,0,2|2,0,0]=4 6489 B13R1.718 CNC(=O)CCOC1CCCCO1 34a_100000033831_100012179268 [0,0,0,0,0,2|2,0,0]=4 6490 B13R1.718 CNC(=O)CCOC1CCCOC1 34a_100000754041_100012179268 [0,0,0,0,0,2|2,0,0]=4 6491 B13R1.718 CNC(=O)CCOC1CCCOC1 34a_100000754576_100000693364 [0,0,0,0,0,2|2,0,0]=4 6492 B13R1.718 CNC(=O)CCSC1CCCOC1 62a_100000737683_100000693364 [0,0,0,0,0,2|2,0,0]=4 6493 B13R1.718 CNC(=O)CNCC1CCCCO1 2230a_100000174945_100000183359 [0,0,0,0,0,2|2,0,0]=4 6494 B13R1.718 CNC(=O)CNCC1CCCCO1 2230a_100000693194_100000211543 [0,0,0,0,0,2|2,0,0]=4 6495 B13R1.718 CNC(=O)CNCC1CCCCO1 34a_100000174945_100000183359 [0,0,0,0,0,2|2,0,0]=4 6496 B13R1.718 CNC(=O)CNCC1CCCOC1 2230a_100000693194_100000741521 [0,0,0,0,0,2|2,0,0]=4 6497 B13R1.718 CNC(=O)CNCC1CCCOC1 2230a_100000720124_100000183359 [0,0,0,0,0,2|2,0,0]=4 6498 B13R1.718 CNC(=O)CNCC1CCCOC1 34a_100000720124_100000183359 [0,0,0,0,0,2|2,0,0]=4 6499 B13R1.718 CNC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000183359 [0,0,0,0,0,2|2,0,0]=4 6500 B13R1.718 CNC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000183359 [0,0,0,0,0,2|2,0,0]=4 6501 B13R1.718 CNC(=O)COCC1CCC=CO1 34a_100011217868_100000183359 [0,0,0,0,0,2|1,0,1]=4 6502 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000212181_100000183359 [0,0,0,0,0,2|2,0,0]=4 6503 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000750040_100000211423 [0,0,0,0,0,2|2,0,0]=4 6504 B13R1.718 CNC(=O)COCC1CCCCC1 7a_100000212181_100000183359 [0,0,0,0,0,2|2,0,0]=4 6505 B13R1.718 CNC(=O)COCC1CCCCN1 34a_100000210821_100000183359 [0,0,0,0,0,2|2,0,0]=4 6506 B13R1.718 CNC(=O)COCC1CCCCO1 11a_106832991635_100011223378 [0,0,0,0,0,2|1,0,0]=3 6507 B13R1.718 CNC(=O)COCC1CCCCO1 1626a_100102657272_100011223378 [0,0,0,0,0,2|1,0,0]=3 6508 B13R1.718 CNC(=O)COCC1CCCCO1 240690a_100102657272_100011223378 [0,0,0,0,0,2|1,0,0]=3 6509 B13R1.718 CNC(=O)COCC1CCCCO1 34a_100000211370_100000183359 [0,0,0,0,0,2|1,0,0]=3 6510 B13R1.718 CNC(=O)COCC1CCCCO1 34a_100000750040_100000211543 [0,0,0,0,0,2|1,0,0]=3 6511 B13R1.718 CNC(=O)COCC1CCCCO1 527a_100102657272_100011223378 [0,0,0,0,0,2|1,0,0]=3 6512 B13R1.718 CNC(=O)COCC1CCCCO1 7a_100000211370_100000183359 [0,0,0,0,0,2|1,0,0]=3 6513 B13R1.718 CNC(=O)COCC1CCCNC1 34a_100000211344_100000183359 [0,0,0,0,0,2|2,0,0]=4 6514 B13R1.718 CNC(=O)COCC1CCCOC1 34a_100000741520_100000183359 [0,0,0,0,0,2|1,0,0]=3 6515 B13R1.718 CNC(=O)COCC1CCCOC1 34a_100000750040_100000741521 [0,0,0,0,0,2|1,0,0]=3 6516 B13R1.718 CNC(=O)COCC1CCNCC1 34a_100000738675_100000183359 [0,0,0,0,0,2|2,0,0]=4 6517 B13R1.718 CNC(=O)COCC1CCOCC1 34a_100000749013_100000183359 [0,0,0,0,0,2|2,0,0]=4 6518 B13R1.718 CNC(=O)COCC1CCOCC1 34a_100000750040_100000754603 [0,0,0,0,0,2|2,0,0]=4 6519 B13R1.718 CNC(=O)COCC1CCSCC1 34a_100000070558_100000183359 [0,0,0,0,0,2|2,0,0]=4 6520 B13R1.718 CNC(=O)COCC1CCSCC1 7a_100000070558_100000183359 [0,0,0,0,0,2|2,0,0]=4 6521 B13R1.718 CNC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000183359 [0,0,0,0,0,2|1,0,0]=3 6522 B13R1.718 CNC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000183359 [0,0,0,0,0,2|2,0,0]=4 6523 B13R1.718 CNC(=O)COC[C@H]1COCCO1 34a_100009875890_100000183359 [0,0,0,0,0,2|1,0,0]=3 6524 B13R1.718 CNC(=O)CSCC1CCCCO1 62a_100000183359_100000211543 [0,0,0,0,0,2|1,1,0]=4 6525 B13R1.718 CNC(=O)CSCC1CCCCO1 62a_100000211543_100000183359 [0,0,0,0,0,2|1,1,0]=4 6526 B13R1.718 CNC(=O)CSCC1CCCOC1 62a_100000183359_100000741521 [0,0,0,0,0,2|1,1,0]=4 6527 B13R1.718 CNC(=O)CSCC1CCCOC1 62a_100000741521_100000183359 [0,0,0,0,0,2|1,1,0]=4 6528 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100015183643_106832991635 [0,0,0,0,0,2|2,0,0]=4 6529 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100102657272_100015183643 [0,0,0,0,0,2|2,0,0]=4 6530 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100015183643_100102657272 [0,0,0,0,0,2|2,0,0]=4 6531 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100102657272_100015183643 [0,0,0,0,0,2|2,0,0]=4 6532 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_100015183643_100102657272 [0,0,0,0,0,2|2,0,0]=4 6533 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_106832991638_100015183643 [0,0,0,0,0,2|2,0,0]=4 6534 B13R1.718 CNC(=O)OCCN1CCCOC1 269982a_100000131196_200011997002 [0,0,0,0,0,2|2,0,0]=4 6535 B13R1.718 CNC(=O)OCCN1CCCOC1 34a_100000131196_200011997002 [0,0,0,0,0,2|2,0,0]=4 6536 B13R1.718 COC(=O)CCNC1CCCOC1 2230a_100000719290_100000204255 [0,0,0,0,0,2|2,0,0]=4 6537 B13R1.718 COC(=O)CCNC1CCCOC1 34a_100000719290_100000742370 [0,0,0,0,0,2|2,0,0]=4 6538 B13R1.718 COC(=O)CCOC1CCCCO1 34a_100000033831_100000742370 [0,0,0,0,0,2|2,0,0]=4 6539 B13R1.718 COC(=O)CCOC1CCCOC1 34a_100000754041_100000742370 [0,0,0,0,0,2|2,0,0]=4 6540 B13R1.718 COC(=O)CCSC1CCCOC1 62a_100000204255_100000693364 [0,0,0,0,0,2|2,0,0]=4 6541 B13R1.718 COC(=O)CNCC1CCCCO1 2230a_100000174945_100000747449 [0,0,0,0,0,2|2,0,0]=4 6542 B13R1.718 COC(=O)CNCC1CCCCO1 34a_100000174945_100000747449 [0,0,0,0,0,2|2,0,0]=4 6543 B13R1.718 COC(=O)CNCC1CCCOC1 2230a_100000720124_100000747449 [0,0,0,0,0,2|2,0,0]=4 6544 B13R1.718 COC(=O)CNCC1CCCOC1 34a_100000720124_100000747449 [0,0,0,0,0,2|2,0,0]=4 6545 B13R1.718 COC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000747449 [0,0,0,0,0,2|2,0,0]=4 6546 B13R1.718 COC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000747449 [0,0,0,0,0,2|2,0,0]=4 6547 B13R1.718 COC(=O)COCC1CCC=CO1 34a_100011217868_100000747449 [0,0,0,0,0,2|1,0,1]=4 6548 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [0,0,0,0,0,2|2,0,0]=4 6549 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [0,0,0,0,0,2|2,0,0]=4 6550 B13R1.718 COC(=O)COCC1CCCCN1 34a_100000210821_100000747449 [0,0,0,0,0,2|2,0,0]=4 6551 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [0,0,0,0,0,2|1,0,0]=3 6552 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [0,0,0,0,0,2|1,0,0]=3 6553 B13R1.718 COC(=O)COCC1CCCNC1 34a_100000211344_100000747449 [0,0,0,0,0,2|2,0,0]=4 6554 B13R1.718 COC(=O)COCC1CCCOC1 34a_100000741520_100000747449 [0,0,0,0,0,2|1,0,0]=3 6555 B13R1.718 COC(=O)COCC1CCNCC1 34a_100000738675_100000747449 [0,0,0,0,0,2|2,0,0]=4 6556 B13R1.718 COC(=O)COCC1CCOCC1 34a_100000749013_100000747449 [0,0,0,0,0,2|2,0,0]=4 6557 B13R1.718 COC(=O)COCC1CCSCC1 34a_100000070558_100000747449 [0,0,0,0,0,2|2,0,0]=4 6558 B13R1.718 COC(=O)COCC1CCSCC1 7a_100000070558_100000747449 [0,0,0,0,0,2|2,0,0]=4 6559 B13R1.718 COC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000747449 [0,0,0,0,0,2|1,0,0]=3 6560 B13R1.718 COC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000747449 [0,0,0,0,0,2|2,0,0]=4 6561 B13R1.718 COC(=O)COC[C@H]1COCCO1 34a_100009875890_100000747449 [0,0,0,0,0,2|1,0,0]=3 6562 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000211543_100000747449 [0,0,0,0,0,2|1,1,0]=4 6563 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000747449_100000211543 [0,0,0,0,0,2|1,1,0]=4 6564 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000741521_100000747449 [0,0,0,0,0,2|1,1,0]=4 6565 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000747449_100000741521 [0,0,0,0,0,2|1,1,0]=4 6566 B13R1.718 COC(=O)OCSC1C=CCCC1 62a_100000751183_100000139417 [0,0,0,0,0,2|2,0,0]=4 6567 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [0,0,0,0,0,2|2,0,0]=4 6568 B13R1.718 O=C(CF)COCC1CCCCO1 1458a_100011223378_100015361967 [0,0,0,0,0,2|1,0,0]=3 6569 B13R1.718 O=C(CO)CCOC1CCCCO1 1458a_100000210174_100000744793 [0,0,0,0,0,2|2,0,0]=4 6570 B13R1.718 O=C(CO)NCCC1CCCCO1 240690a_100015183643_100000210174 [0,0,0,0,0,2|2,0,0]=4 6571 B13R1.718 O=C(CO)NCCC1CCCCO1 527a_100015183643_100000210174 [0,0,0,0,0,2|2,0,0]=4 6572 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,0,0,0,0,2|2,0,0]=4 6573 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,0,0,0,0,2|2,0,0]=4 6574 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,0,0,0,0,2|2,0,0]=4 6575 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,0,0,0,0,2|2,0,0]=4 6576 B13R1.1711 CCC(C)OCC1CNCCOC1 34a_100103147999_100011215416 [0,0,0,0,0,2|1,0,1]=4 6577 B13R1.536 C=CC(=O)OCCOC1CCCO1 34a_100000085407_100009813456 [0,0,0,0,0,2|0,0,2]=4 6578 B13R1.536 CCC(=O)CCCCC1OCCO1 1458a_100000210414_100000034956 [0,0,0,0,0,2|2,0,0]=4 6579 B13R1.536 CCC(=O)COCCC1CCCC1 34a_100000725409_100000760354 [0,0,0,0,0,2|1,0,0]=3 6580 B13R1.536 CCC(=O)COCCC1CCCC1 7a_100000749090_100000747405 [0,0,0,0,0,2|1,0,0]=3 6581 B13R1.536 CCC(=O)COCCC1OCCO1 34a_100000725409_100000740749 [0,0,0,0,0,2|1,0,0]=3 6582 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000747405_100000760354 [0,0,0,0,0,2|1,1,0]=4 6583 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000760354_100000747405 [0,0,0,0,0,2|1,1,0]=4 6584 B13R1.536 CCC(=O)CSCCC1OCCO1 62a_100000747405_100000740749 [0,0,0,0,0,2|1,1,0]=4 6585 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [0,0,0,0,0,2|2,0,0]=4 6586 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [0,0,0,0,0,2|2,0,0]=4 6587 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [0,0,0,0,0,2|2,0,0]=4 6588 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [0,0,0,0,0,2|2,0,0]=4 6589 B13R1.536 CCC(=O)NCCNC1CCCC1 270004a_100132302217_100000210133 [0,0,0,0,0,2|2,0,0]=4 6590 B13R1.536 CCC(=O)NCCNC1CCCC1 34a_100132302217_100000179811 [0,0,0,0,0,2|2,0,0]=4 6591 B13R1.536 CCC(=O)NCCOC1CCCC1 11a_100000741755_100000210414 [0,0,0,0,0,2|2,0,0]=4 6592 B13R1.536 CCC(=O)NCCOC1CCCC1 1626a_100000741755_100000210414 [0,0,0,0,0,2|2,0,0]=4 6593 B13R1.536 CCC(=O)NCCOC1CCCC1 240690a_100000741755_100000210414 [0,0,0,0,0,2|2,0,0]=4 6594 B13R1.536 CCC(=O)NCCOC1CCCC1 34a_200000158885_100000179811 [0,0,0,0,0,2|2,0,0]=4 6595 B13R1.536 CCC(=O)NCCOC1CCCC1 527a_100000741755_100000210414 [0,0,0,0,0,2|2,0,0]=4 6596 B13R1.536 CCC(=O)NCCOC1CCCC1 7a_200000158885_100000179811 [0,0,0,0,0,2|2,0,0]=4 6597 B13R1.536 CCC(=O)OCCOC1CCCC1 7a_200000031056_100000179811 [0,0,0,0,0,2|1,0,0]=3 6598 B13R1.536 CCC(=O)OCCOC1CCOC1 7a_200000031056_100000731011 [0,0,0,0,0,2|2,0,0]=4 6599 B13R1.536 CCC(C)CCOCC1CCCO1 7a_100011215188_100000203698 [0,0,0,0,0,2|1,0,1]=4 6600 B13R1.536 CNC(=O)CCCOC1CCCO1 34a_100000085407_100000741757 [0,0,0,0,0,2|2,0,0]=4 6601 B13R1.536 CNC(=O)CCNCC1CCCO1 2230a_100000738227_100000203698 [0,0,0,0,0,2|2,0,0]=4 6602 B13R1.536 CNC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000737683 [0,0,0,0,0,2|2,0,0]=4 6603 B13R1.536 CNC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100012179268 [0,0,0,0,0,2|2,0,0]=4 6604 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000742336_100012179268 [0,0,0,0,0,2|2,0,0]=4 6605 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000754576_100000740388 [0,0,0,0,0,2|2,0,0]=4 6606 B13R1.536 CNC(=O)CCOCC1CCCC1 7a_100000742336_100000737683 [0,0,0,0,0,2|2,0,0]=4 6607 B13R1.536 CNC(=O)CCOCC1CCCO1 34a_100000210270_100012179268 [0,0,0,0,0,2|1,0,0]=3 6608 B13R1.536 CNC(=O)CCOCC1CCCO1 7a_100000210270_100000737683 [0,0,0,0,0,2|1,0,0]=3 6609 B13R1.536 CNC(=O)CCOCC1COCO1 34a_100011216627_100012179268 [0,0,0,0,0,2|2,0,0]=4 6610 B13R1.536 CNC(=O)CCOCC1OCCO1 34a_100000087154_100012179268 [0,0,0,0,0,2|2,0,0]=4 6611 B13R1.536 CNC(=O)CCOCC1OCCO1 34a_100000754576_100000755774 [0,0,0,0,0,2|2,0,0]=4 6612 B13R1.536 CNC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100012179268 [0,0,0,0,0,2|2,0,0]=4 6613 B13R1.536 CNC(=O)CCSCC1CCCO1 62a_100000203698_100000737683 [0,0,0,0,0,2|1,1,0]=4 6614 B13R1.536 CNC(=O)CCSCC1CCCO1 62a_100000737683_100000203698 [0,0,0,0,0,2|1,1,0]=4 6615 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000749090_100000183359 [0,0,0,0,0,2|2,0,0]=4 6616 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000750040_100000760354 [0,0,0,0,0,2|2,0,0]=4 6617 B13R1.536 CNC(=O)COCCC1CCCC1 7a_100000749090_100000183359 [0,0,0,0,0,2|2,0,0]=4 6618 B13R1.536 CNC(=O)COCCC1OCCO1 34a_100000750040_100000740749 [0,0,0,0,0,2|2,0,0]=4 6619 B13R1.536 CNC(=O)OCCNC1CCCC1 34a_100000211070_200011997002 [0,0,0,0,0,2|2,0,0]=4 6620 B13R1.536 CNC(=O)OCCOC1CCCC1 34a_100000210269_200011997002 [0,0,0,0,0,2|2,0,0]=4 6621 B13R1.536 CNC(=O)OCCOC1CCCC1 7a_100000210269_200011997002 [0,0,0,0,0,2|2,0,0]=4 6622 B13R1.536 CNC(=O)OCCOC1CCCO1 34a_100000085407_200011997002 [0,0,0,0,0,2|1,0,0]=3 6623 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_100011217020_200011997002 [0,0,0,0,0,2|2,0,0]=4 6624 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_200011997002_100000179811 [0,0,0,0,0,2|2,0,0]=4 6625 B13R1.536 COC(=O)/C=C/COC1CCCO1 34a_100000085407_100000742655 [0,0,0,0,0,2|2,0,0]=4 6626 B13R1.536 COC(=O)CCCOC1CCCO1 34a_100000085407_100000742333 [0,0,0,0,0,2|2,0,0]=4 6627 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000204255 [0,0,0,0,0,2|2,0,0]=4 6628 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000742370 [0,0,0,0,0,2|2,0,0]=4 6629 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [0,0,0,0,0,2|2,0,0]=4 6630 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [0,0,0,0,0,2|2,0,0]=4 6631 B13R1.536 COC(=O)CCOCC1CCCO1 34a_100000210270_100000742370 [0,0,0,0,0,2|1,0,0]=3 6632 B13R1.536 COC(=O)CCOCC1CCCO1 7a_100000210270_100000204255 [0,0,0,0,0,2|1,0,0]=3 6633 B13R1.536 COC(=O)CCOCC1COCO1 34a_100011216627_100000742370 [0,0,0,0,0,2|2,0,0]=4 6634 B13R1.536 COC(=O)CCOCC1OCCO1 34a_100000087154_100000742370 [0,0,0,0,0,2|2,0,0]=4 6635 B13R1.536 COC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000742370 [0,0,0,0,0,2|2,0,0]=4 6636 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000203698_100000204255 [0,0,0,0,0,2|1,1,0]=4 6637 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000204255_100000203698 [0,0,0,0,0,2|1,1,0]=4 6638 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [0,0,0,0,0,2|2,0,0]=4 6639 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [0,0,0,0,0,2|2,0,0]=4 6640 B13R1.536 COC(=O)OCCOC1CCCC1 34a_100010262106_100000179811 [0,0,0,0,0,2|2,0,0]=4 6641 B13R1.536 COC(=O)OCSCC1CCCC1 62a_100000740388_100000139417 [0,0,0,0,0,2|2,0,0]=4 6642 B13R1.536 COC(=O)OCSCC1CCCO1 62a_100000203698_100000139417 [0,0,0,0,0,2|1,0,0]=3 6643 B13R1.536 COC(=O)OCSCC1OCCO1 62a_100000755774_100000139417 [0,0,0,0,0,2|2,0,0]=4