0 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,0,0,0,0,0|0,0,4]=4 11 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,0,0,0,0,0|0,0,4]=4 12 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.6 C#CCCCN(C)CC 2230a_100000225621_100000731252 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.6 C#CCCCN(C)CC 269982a_100000225621_100011215417 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,0,0,0,0,0|1,0,2]=3 26 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,0,0,0,0,0|1,0,2]=3 38 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,0,0,0,0,0|1,0,2]=3 39 B8R0.6 C#CCOCC(=O)CF 1458a_100011251226_100015361967 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,0,0,0,0,0|1,0,2]=3 47 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,0,0,0,0,0|0,0,4]=4 50 B8R0.6 C=C(C#N)COCCC 34a_100000210258_100000694840 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.6 C=C(C#N)CSCCC 62a_100000210303_100000694840 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,0,0,0,0,0|0,0,4]=4 53 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,0,0,0,0,0|0,0,4]=4 54 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,0,0,0,0,0|1,0,3]=4 55 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,0,0,0,0|0,0,2]=2 56 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,0,0,0,0,0|1,0,2]=3 57 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,0,0,0,0,0|1,0,2]=3 58 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,0,0,0,0,0|1,0,2]=3 59 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,0,0,0,0,0|1,0,2]=3 60 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,0,0,0,0,0|1,0,2]=3 61 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,0,0,0,0,0|1,0,2]=3 62 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,0,0,0,0,0|1,0,2]=3 63 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,0,0,0,0,0|2,0,2]=4 65 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,0,0,0,0,0|2,0,2]=4 67 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,0,0,0,0,0|2,0,2]=4 69 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,0,0,0,0,0|2,0,2]=4 71 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,0,0,0,0,0|2,0,2]=4 74 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,0,0,0,0,0|2,0,2]=4 76 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,0,0,0,0,0|2,0,2]=4 77 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,0,0,0,0,0|2,0,2]=4 78 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,0,0,0,0,0|2,0,2]=4 79 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,0,0,0,0,0|2,0,2]=4 80 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,0,0,0,0,0|2,0,2]=4 82 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,0,0,0,0,0|2,0,2]=4 83 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,0,0,0,0,0|0,0,4]=4 84 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,0,0,0,0,0|0,0,2]=2 85 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,0,0,0,0,0|0,0,2]=2 86 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,0,0,0,0,0|1,0,2]=3 87 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,0,0,0,0,0|1,0,2]=3 88 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,0,0,0,0,0|1,0,2]=3 89 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,0,0,0,0,0|1,0,2]=3 90 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,0,0,0,0,0|1,0,2]=3 91 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,0,0,0,0,0|1,0,2]=3 92 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,0,0,0,0,0|1,0,2]=3 95 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,0,0,0,0,0|1,0,2]=3 96 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,0,0,0,0,0|1,0,2]=3 97 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,0,0,0,0,0|1,0,2]=3 98 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,0,0,0,0,0|2,0,2]=4 99 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,0,0,0,0,0|2,0,2]=4 102 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,0,0,0,0,0|2,0,2]=4 103 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,0,0,0,0,0|2,0,2]=4 107 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,0,0,0,0,0|2,0,2]=4 109 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,0,0,0,0,0|2,0,2]=4 110 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,0,0,0,0,0|1,0,2]=3 111 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,0,0,0,0,0|2,0,2]=4 113 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,0,0,0,0,0|1,0,2]=3 115 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,0,0,0,0,0|1,0,2]=3 116 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,0,0,0,0,0|1,0,2]=3 117 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [0,0,0,0,0,0|2,0,2]=4 118 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,0,0,0,0,0|2,0,2]=4 119 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,0,0,0,0,0|2,0,2]=4 120 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,0,0,0,0,0|2,0,2]=4 122 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,0,0,0,0,0|2,0,2]=4 123 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,0,0,0,0,0|2,0,2]=4 124 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,0,0,0,0,0|2,0,2]=4 125 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,0,0,0,0,0|2,0,2]=4 126 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,0,0,0,0,0|1,0,2]=3 127 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,0,0,0,0,0|2,0,2]=4 128 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,0,0,0,0,0|1,0,2]=3 129 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,0,0,0,0,0|1,0,2]=3 130 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,0,0,0,0,0|1,0,2]=3 131 B8R0.6 CC#CCNC(=O)CO 527a_100000685387_100000210174 [0,0,0,0,0,0|2,0,2]=4 132 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,0,0,0,0,0|2,0,2]=4 135 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,0,0,0,0,0|2,0,2]=4 136 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,0,0,0,0|0,0,2]=2 138 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,0,0,0,0,0|1,0,2]=3 139 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,0,0,0,0,0|1,0,2]=3 140 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 141 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 142 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 143 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,0,0,0,0|0,0,2]=2 144 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,0,0,0,0,0|1,0,2]=3 145 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [0,0,0,0,0,0|2,0,2]=4 146 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [0,0,0,0,0,0|2,0,2]=4 147 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,0,0,0,0,0|0,0,2]=2 148 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,0,0,0,0,0|1,0,2]=3 149 B8R0.6 CCC#CCN(C)CC 2230a_100000225621_100009813939 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,0,0,0,0,0|1,0,2]=3 151 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,0,0,0,0,0|1,0,2]=3 152 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,0,0,0,0,0|1,0,1]=2 153 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,0,0,0,0,0|1,0,1]=2 154 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,0,0,0,0|1,0,0]=1 155 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,0,0,0,0|1,0,0]=1 156 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,0,0,0,0|1,0,0]=1 157 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,0,0,0,0,0|1,0,0]=1 158 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,0,0,0,0,0|1,0,0]=1 159 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,0,0,0,0,0|1,0,0]=1 160 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,0,0,0,0,0|3,0,0]=3 161 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,0,0,0,0,0|2,0,1]=3 162 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,0,0,0,0|2,0,0]=2 163 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,0,0,0,0|2,0,0]=2 164 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,0,0,0,0|2,0,0]=2 165 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,0,0,0,0,0|2,0,0]=2 166 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,0,0,0,0,0|2,0,1]=3 167 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,0,0,0,0,0|2,0,1]=3 168 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,0,0,0,0,0|2,0,1]=3 169 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,0,0,0,0,0|2,0,1]=3 170 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,0,0,0,0,0|2,0,1]=3 171 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,0,0,0,0|2,0,0]=2 172 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,0,0,0,0|2,0,0]=2 173 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,0,0,0,0|2,0,0]=2 174 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,0,0,0,0|2,0,0]=2 175 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,0,0,0,0|2,0,0]=2 176 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,0,0,0,0|2,0,0]=2 177 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,0,0,0,0|2,0,0]=2 178 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,0,0,0,0|2,0,0]=2 179 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,0,0,0,0,0|2,0,1]=3 180 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,0,0,0,0,0|2,0,1]=3 181 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,0,0,0,0,0|2,0,1]=3 182 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,0,0,0,0,0|2,0,1]=3 183 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,0,0,0,0|2,0,0]=2 184 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,0,0,0,0|2,0,0]=2 185 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,0,0,0,0|2,0,0]=2 186 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,0,0,0,0|2,0,0]=2 187 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,0,0,0,0|2,0,0]=2 188 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,0,0,0,0|2,0,0]=2 189 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,0,0,0,0,0|2,0,0]=2 190 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,0,0,0,0,0|2,0,0]=2 191 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,0,0,0,0,0|2,0,0]=2 192 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,0,0,0,0,0|2,0,0]=2 193 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,0,0,0,0,0|2,0,0]=2 194 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,0,0,0,0,0|2,0,0]=2 195 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,0,0,0,0,0|2,0,0]=2 196 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,0,0,0,0,0|2,0,0]=2 197 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,0,0,0,0,0|2,0,0]=2 198 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,0,0,0,0,0|2,0,0]=2 199 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,0,0,0,0,0|2,0,0]=2 200 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,0,0,0,0,0|2,0,0]=2 201 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,0,0,0,0,0|2,0,0]=2 202 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,0,0,0,0,0|3,0,0]=3 203 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,0,0,0,0,0|2,0,0]=2 204 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,0,0,0,0,0|2,0,0]=2 205 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,0,0,0,0,0|2,0,1]=3 206 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,0,0,0,0,0|2,0,1]=3 207 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,0,0,0,0,0|3,0,1]=4 208 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,0,0,0,0,0|3,0,1]=4 209 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,0,0,0,0,0|3,0,1]=4 210 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,0,0,0,0,0|3,0,1]=4 211 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,0,0,0,0,0|3,0,1]=4 212 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,0,0,0,0,0|3,0,1]=4 213 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,0,0,0,0,0|3,0,1]=4 214 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,0,0,0,0,0|3,0,1]=4 215 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,0,0,0,0,0|3,0,1]=4 216 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,0,0,0,0,0|3,0,1]=4 218 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,0,0,0,0,0|3,0,1]=4 220 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,0,0,0,0,0|3,0,1]=4 221 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,0,0,0,0,0|3,0,1]=4 222 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,0,0,0,0,0|3,0,1]=4 224 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,0,0,0,0,0|3,0,1]=4 234 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,0,0,0,0,0|3,0,1]=4 237 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,0,0,0,0,0|3,0,1]=4 238 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,0,0,0,0,0|3,0,1]=4 239 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,0,0,0,0,0|3,0,1]=4 240 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,0,0,0,0,0|3,0,1]=4 241 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,0,0,0,0,0|3,0,1]=4 242 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,0,0,0,0,0|2,0,2]=4 254 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,0,0,0,0,0|2,0,2]=4 255 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,0,0,0,0,0|2,0,2]=4 256 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,0,0,0,0,0|2,0,2]=4 257 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,0,0,0,0,0|2,0,2]=4 258 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,0,0,0,0,0|2,0,2]=4 259 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,0,0,0,0,0|2,0,2]=4 260 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,0,0,0,0,0|2,0,2]=4 261 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,0,0,0,0,0|2,0,2]=4 262 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,0,0,0,0,0|2,0,2]=4 263 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,0,0,0,0,0|2,0,2]=4 264 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,0,0,0,0,0|2,0,2]=4 265 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,0,0,0,0,0|2,0,2]=4 266 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,0,0,0,0,0|2,0,2]=4 267 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,0,0,0,0,0|2,0,2]=4 268 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,0,0,0,0,0|2,0,2]=4 269 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,0,0,0,0,0|2,0,2]=4 270 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,0,0,0,0,0|2,0,1]=3 271 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,0,0,0,0|0,0,2]=2 272 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,0,0,0,0,0|1,0,2]=3 273 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,0,0,0,0,0|1,0,2]=3 274 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,0,0,0,0|0,0,2]=2 275 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,0,0,0,0,0|1,0,2]=3 276 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,0,0,0,0,0|1,0,2]=3 277 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,0,0,0,0,0|1,0,2]=3 278 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,0,0,0,0,0|1,0,2]=3 279 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,0,0,0,0|0,0,0]=0 280 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,0,0,0,0|0,0,0]=0 281 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,0,0,0,0|1,0,0]=1 282 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,0,0,0,0|1,0,0]=1 283 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,0,0,0,0|1,0,0]=1 284 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,0,0,0,0|1,0,0]=1 285 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,0,0,0,0|1,0,0]=1 286 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,0,0,0,0|1,0,0]=1 287 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,0,0,0,0,0|2,0,1]=3 288 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,0,0,0,0,0|2,0,1]=3 289 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,0,0,0,0,0|2,0,1]=3 290 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,0,0,0,0,0|2,0,1]=3 291 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,0,0,0,0,0|2,0,1]=3 292 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,0,0,0,0,0|2,0,1]=3 293 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,0,0,0,0,0|2,0,1]=3 294 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,0,0,0,0,0|2,0,1]=3 295 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,0,0,0,0,0|2,0,1]=3 296 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,0,0,0,0,0|2,0,1]=3 297 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,0,0,0,0,0|2,0,1]=3 298 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,0,0,0,0,0|2,0,1]=3 299 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,0,0,0,0,0|2,0,1]=3 300 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,0,0,0,0,0|2,0,1]=3 301 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,0,0,0,0,0|2,0,1]=3 302 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,0,0,0,0,0|2,0,0]=2 303 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,0,0,0,0,0|2,0,0]=2 304 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,0,0,0,0,0|2,0,0]=2 305 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,0,0,0,0,0|2,0,0]=2 306 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,0,0,0,0,0|3,0,0]=3 307 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,0,0,0,0|1,0,0]=1 308 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,0,0,0,0|1,0,0]=1 309 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,0,0,0,0|1,0,0]=1 310 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,0,0,0,0|1,0,0]=1 311 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,0,0,0,0|2,0,0]=2 312 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,0,0,0,0|2,0,0]=2 313 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,0,0,0,0,0|2,0,0]=2 314 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,0,0,0,0,0|2,0,0]=2 315 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,0,0,0,0,0|2,0,0]=2 316 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,0,0,0,0,0|2,0,0]=2 317 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,0,0,0,0,0|2,0,0]=2 318 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,0,0,0,0,0|2,0,0]=2 319 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,0,0,0,0,0|2,0,1]=3 320 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,0,0,0,0,0|2,0,1]=3 321 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,0,0,0,0,0|2,0,1]=3 322 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,0,0,0,0,0|3,0,1]=4 323 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,0,0,0,0,0|3,0,1]=4 324 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,0,0,0,0,0|3,0,1]=4 325 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,0,0,0,0,0|2,0,1]=3 326 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,0,0,0,0,0|2,0,1]=3 327 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,0,0,0,0,0|2,0,1]=3 328 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,0,0,0,0,0|3,0,1]=4 329 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,0,0,0,0,0|3,0,1]=4 330 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,0,0,0,0,0|3,0,1]=4 331 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,0,0,0,0,0|3,0,1]=4 332 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,0,0,0,0,0|3,0,1]=4 333 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,0,0,0,0,0|2,0,1]=3 334 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,0,0,0,0,0|2,0,1]=3 335 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,0,0,0,0,0|3,0,1]=4 336 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,0,0,0,0,0|3,0,1]=4 337 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,0,0,0,0,0|3,0,1]=4 338 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,0,0,0,0,0|3,0,1]=4 339 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,0,0,0,0,0|3,0,1]=4 340 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,0,0,0,0,0|2,0,0]=2 341 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,0,0,0,0,0|2,0,1]=3 342 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,0,0,0,0,0|2,0,1]=3 343 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,0,0,0,0,0|3,0,1]=4 344 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,0,0,0,0,0|1,0,2]=3 345 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,0,0,0,0,0|3,0,1]=4 346 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,0,0,0,0,0|3,0,1]=4 347 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,0,0,0,0,0|2,0,2]=4 348 B8R0.6 CCCNN=C(C)CF 4a_100000740057_100000039719 [0,0,0,0,0,0|4,0,0]=4 349 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,0,0,0,0,0|4,0,0]=4 350 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,0,0,0,0|2,0,0]=2 351 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,0,0,0,0,0|3,0,0]=3 352 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,0,0,0,0,0|3,0,0]=3 353 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,0,0,0,0,0|3,0,0]=3 354 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,0,0,0,0,0|3,0,0]=3 355 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,0,0,0,0|1,0,0]=1 356 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,0,0,0,0|1,0,0]=1 357 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,0,0,0,0,0|2,0,0]=2 358 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,0,0,0,0,0|2,0,0]=2 359 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,0,0,0,0,0|2,0,0]=2 360 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,0,0,0,0,0|2,0,0]=2 361 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,0,0,0,0,0|2,0,0]=2 362 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,0,0,0,0,0|2,0,0]=2 363 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,0,0,0,0,0|2,0,0]=2 364 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,0,0,0,0,0|2,0,0]=2 365 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,0,0,0,0,0|2,0,1]=3 366 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,0,0,0,0,0|3,0,1]=4 367 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,0,0,0,0,0|3,0,1]=4 368 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,0,0,0,0,0|3,0,1]=4 369 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,0,0,0,0,0|1,0,2]=3 370 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,0,0,0,0,0|2,0,2]=4 371 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,0,0,0,0,0|2,0,1]=3 372 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,0,0,0,0,0|2,0,1]=3 373 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,0,0,0,0,0|3,0,1]=4 374 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,0,0,0,0,0|2,0,2]=4 375 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,0,0,0,0,0|2,0,2]=4 376 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,0,0,0,0,0|3,0,1]=4 377 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,0,0,0,0|1,0,0]=1 378 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,0,0,0,0|1,0,0]=1 379 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,0,0,0,0|1,0,0]=1 380 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,0,0,0,0|2,0,0]=2 381 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,0,0,0,0|2,0,0]=2 382 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,0,0,0,0|2,0,0]=2 383 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,0,0,0,0|2,0,0]=2 384 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,0,0,0,0|2,0,0]=2 385 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,0,0,0,0|2,0,0]=2 386 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,0,0,0,0|2,0,0]=2 387 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,0,0,0,0|2,0,0]=2 388 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,0,0,0,0|2,0,0]=2 389 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,0,0,0,0,0|2,0,1]=3 390 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,0,0,0,0,0|2,0,1]=3 391 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,0,0,0,0,0|3,0,1]=4 392 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,0,0,0,0,0|1,0,2]=3 393 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,0,0,0,0,0|1,0,2]=3 394 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,0,0,0,0,0|2,0,2]=4 395 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,0,0,0,0,0|2,0,2]=4 396 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,0,0,0,0,0|2,0,1]=3 397 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,0,0,0,0,0|2,0,1]=3 398 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,0,0,0,0,0|3,0,1]=4 399 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,0,0,0,0,0|3,0,1]=4 400 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,0,0,0,0,0|2,0,2]=4 401 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,0,0,0,0,0|2,0,2]=4 402 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,0,0,0,0,0|2,0,2]=4 403 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,0,0,0,0,0|2,0,2]=4 404 B8R0.6 CCN(C)CCCC#N 2230a_100000225621_100000687738 [0,0,0,0,0,0|3,0,1]=4 405 B8R0.6 CCN(C)CCCC#N 269982a_100000225621_100000687738 [0,0,0,0,0,0|3,0,1]=4 406 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,0,0,0,0,0|3,0,1]=4 407 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,0,0,0,0,0|3,0,1]=4 408 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,0,0,0,0,0|3,0,0]=3 409 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,0,0,0,0,0|3,0,0]=3 410 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,0,0,0,0,0|3,0,0]=3 411 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,0,0,0,0,0|3,0,0]=3 412 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,0,0,0,0,0|3,0,0]=3 413 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,0,0,0,0,0|3,0,0]=3 414 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,0,0,0,0,0|3,0,0]=3 415 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,0,0,0,0,0|3,0,0]=3 416 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,0,0,0,0,0|3,0,0]=3 417 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,0,0,0,0,0|3,0,0]=3 418 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,0,0,0,0,0|3,0,0]=3 419 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,0,0,0,0,0|3,0,0]=3 420 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,0,0,0,0,0|3,0,0]=3 421 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,0,0,0,0,0|3,0,0]=3 422 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,0,0,0,0,0|3,0,0]=3 423 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,0,0,0,0,0|3,0,0]=3 424 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,0,0,0,0,0|3,0,0]=3 425 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,0,0,0,0,0|3,0,0]=3 426 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,0,0,0,0,0|2,0,0]=2 427 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,0,0,0,0,0|2,0,0]=2 428 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,0,0,0,0,0|2,0,0]=2 429 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,0,0,0,0,0|2,0,0]=2 430 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,0,0,0,0,0|2,0,1]=3 431 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,0,0,0,0,0|3,0,1]=4 432 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,0,0,0,0,0|3,0,1]=4 433 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,0,0,0,0,0|3,0,1]=4 434 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,0,0,0,0,0|1,0,2]=3 435 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,0,0,0,0,0|2,0,2]=4 436 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,0,0,0,0,0|2,0,2]=4 437 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,0,0,0,0,0|2,0,2]=4 438 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,0,0,0,0,0|2,0,2]=4 439 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,0,0,0,0,0|4,0,0]=4 440 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,0,0,0,0|1,0,0]=1 441 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,0,0,0,0|1,0,0]=1 442 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,0,0,0,0,0|2,0,0]=2 443 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,0,0,0,0,0|2,0,0]=2 444 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,0,0,0,0,0|2,0,0]=2 445 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,0,0,0,0,0|2,0,0]=2 446 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,0,0,0,0,0|2,0,0]=2 447 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,0,0,0,0,0|2,0,0]=2 448 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,0,0,0,0,0|2,0,0]=2 449 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,0,0,0,0,0|2,0,0]=2 450 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,0,0,0,0,0|2,0,0]=2 451 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,0,0,0,0,0|2,0,1]=3 452 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,0,0,0,0,0|3,0,1]=4 453 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,0,0,0,0,0|3,0,1]=4 454 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,0,0,0,0,0|3,0,0]=3 455 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,0,0,0,0,0|3,0,0]=3 456 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,0,0,0,0,0|3,0,1]=4 457 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,0,0,0,0,0|3,0,1]=4 458 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,0,0,0,0|1,0,0]=1 459 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,0,0,0,0|1,0,0]=1 460 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,0,0,0,0,0|2,0,0]=2 461 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,0,0,0,0,0|2,0,0]=2 462 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,0,0,0,0,0|2,0,0]=2 463 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,0,0,0,0,0|2,0,0]=2 464 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,0,0,0,0,0|2,0,0]=2 465 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,0,0,0,0,0|2,0,0]=2 466 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,0,0,0,0,0|2,0,0]=2 467 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,0,0,0,0,0|2,0,0]=2 468 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,0,0,0,0,0|2,0,0]=2 469 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,0,0,0,0,0|2,0,0]=2 470 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,0,0,0,0,0|3,0,0]=3 471 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,0,0,0,0,0|3,0,0]=3 472 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,0,0,0,0,0|3,0,0]=3 473 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,0,0,0,0,0|3,0,1]=4 474 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,0,0,0,0,0|3,0,1]=4 475 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,0,0,0,0,0|3,0,1]=4 476 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,0,0,0,0,0|3,0,1]=4 477 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,0,0,0,0,0|3,0,1]=4 478 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,0,0,0,0,0|3,0,1]=4 479 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,0,0,0,0,0|3,0,1]=4 480 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,0,0,0,0,0|3,0,1]=4 481 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,0,0,0,0,0|3,0,1]=4 482 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,0,0,0,0,0|3,0,1]=4 483 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,0,0,0,0,0|3,0,1]=4 484 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,0,0,0,0,0|3,0,1]=4 485 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,0,0,0,0,0|3,0,1]=4 486 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,0,0,0,0,0|3,0,1]=4 487 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,0,0,0,0,0|3,0,1]=4 488 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,0,0,0,0,0|4,0,0]=4 489 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,0,0,0,0,0|2,0,2]=4 490 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,0,0,0,0,0|2,0,2]=4 491 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,0,0,0,0,0|2,0,2]=4 492 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,0,0,0,0,0|2,0,1]=3 493 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,0,0,0,0,0|2,0,1]=3 494 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,0,0,0,0,0|2,0,1]=3 495 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,0,0,0,0,0|2,0,1]=3 496 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,0,0,0,0,0|2,0,0]=2 497 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,0,0,0,0,0|2,0,0]=2 498 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,0,0,0,0,0|2,0,0]=2 499 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,0,0,0,0,0|2,0,0]=2 500 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,0,0,0,0,0|2,0,0]=2 501 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,0,0,0,0,0|2,0,0]=2 502 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,0,0,0,0,0|2,0,0]=2 503 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,0,0,0,0,0|2,0,0]=2 504 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,0,0,0,0,0|2,0,0]=2 505 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,0,0,0,0,0|2,0,0]=2 506 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,0,0,0,0,0|2,0,0]=2 507 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,0,0,0,0,0|2,0,0]=2 508 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,0,0,0,0,0|2,0,0]=2 509 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,0,0,0,0,0|2,0,0]=2 510 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,0,0,0,0,0|2,0,0]=2 511 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,0,0,0,0,0|2,0,0]=2 512 B8R0.6 CNC(=O)CCN=[N+]=[N-] 11a_106832991635_100000688302 [0,0,0,0,0,0|4,0,0]=4 513 B8R0.6 CNC(=O)CCN=[N+]=[N-] 240690a_100102657272_100000688302 [0,0,0,0,0,0|4,0,0]=4 514 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,0,0,0,0,0|3,0,0]=3 515 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,0,0,0,0,0|3,0,0]=3 516 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,0,0,0,0,0|3,0,0]=3 517 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,0,0,0,0,0|3,0,0]=3 518 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,0,0,0,0,0|3,0,1]=4 519 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,0,0,0,0,0|3,0,1]=4 520 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,0,0,0,0,0|3,0,0]=3 521 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,0,0,0,0,0|3,0,0]=3 522 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,0,0,0,0,0|3,0,0]=3 523 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,0,0,0,0,0|3,0,0]=3 524 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,0,0,0,0,0|3,0,0]=3 525 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,0,0,0,0,0|3,0,0]=3 526 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,0,0,0,0,0|3,0,0]=3 527 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,0,0,0,0,0|3,0,1]=4 528 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,0,0,0,0,0|3,0,0]=3 529 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,0,0,0,0,0|3,0,0]=3 530 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,0,0,0,0,0|3,0,0]=3 531 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,0,0,0,0,0|3,0,0]=3 532 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,0,0,0,0,0|3,0,0]=3 533 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,0,0,0,0,0|3,0,0]=3 534 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,0,0,0,0,0|3,0,0]=3 535 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,0,0,0,0,0|3,0,1]=4 536 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,0,0,0,0,0|3,0,1]=4 537 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,0,0,0,0,0|3,0,1]=4 538 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,0,0,0,0,0|3,0,1]=4 539 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,0,0,0,0,0|3,0,1]=4 540 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,0,0,0,0,0|3,0,1]=4 541 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,0,0,0,0,0|3,0,1]=4 542 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,0,0,0,0,0|3,0,0]=3 543 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,0,0,0,0,0|3,0,0]=3 544 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,0,0,0,0,0|3,0,0]=3 545 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,0,0,0,0,0|3,0,0]=3 546 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,0,0,0,0,0|3,0,0]=3 547 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,0,0,0,0,0|3,0,0]=3 548 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,0,0,0,0,0|3,0,0]=3 549 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,0,0,0,0,0|3,0,0]=3 550 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,0,0,0,0,0|3,0,1]=4 551 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,0,0,0,0,0|3,0,1]=4 552 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,0,0,0,0,0|3,0,1]=4 553 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,0,0,0,0,0|3,0,1]=4 554 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,0,0,0,0,0|3,0,1]=4 555 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,0,0,0,0,0|3,0,1]=4 556 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,0,0,0,0,0|3,0,0]=3 557 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,0,0,0,0,0|3,0,0]=3 558 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,0,0,0,0,0|3,0,0]=3 559 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,0,0,0,0,0|3,0,0]=3 560 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,0,0,0,0,0|3,0,0]=3 561 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,0,0,0,0,0|3,0,0]=3 562 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,0,0,0,0,0|3,0,0]=3 563 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,0,0,0,0,0|3,0,0]=3 564 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,0,0,0,0,0|3,0,0]=3 565 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,0,0,0,0,0|3,0,0]=3 566 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,0,0,0,0,0|3,0,0]=3 567 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,0,0,0,0,0|3,0,0]=3 568 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,0,0,0,0,0|3,0,0]=3 569 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,0,0,0,0,0|3,0,0]=3 570 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,0,0,0,0,0|3,0,0]=3 571 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,0,0,0,0,0|3,0,0]=3 572 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,0,0,0,0,0|3,0,0]=3 573 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,0,0,0,0,0|3,0,0]=3 574 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,0,0,0,0,0|3,0,0]=3 575 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,0,0,0,0,0|3,0,0]=3 576 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,0,0,0,0,0|4,0,0]=4 577 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,0,0,0,0,0|4,0,0]=4 578 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,0,0,0,0,0|3,0,0]=3 579 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,0,0,0,0,0|3,0,0]=3 580 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,0,0,0,0,0|3,0,0]=3 581 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,0,0,0,0,0|3,0,0]=3 582 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,0,0,0,0,0|3,0,0]=3 583 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,0,0,0,0,0|3,0,1]=4 584 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,0,0,0,0,0|2,0,2]=4 585 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,0,0,0,0,0|2,0,2]=4 586 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,0,0,0,0,0|2,0,2]=4 587 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,0,0,0,0,0|2,0,0]=2 588 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,0,0,0,0,0|2,0,0]=2 589 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,0,0,0,0,0|2,0,0]=2 590 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,0,0,0,0,0|2,0,0]=2 591 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,0,0,0,0,0|2,0,0]=2 592 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,0,0,0,0,0|2,0,0]=2 593 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,0,0,0,0,0|2,0,0]=2 594 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,0,0,0,0,0|2,0,0]=2 595 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,0,0,0,0,0|3,0,0]=3 596 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,0,0,0,0,0|3,0,0]=3 597 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,0,0,0,0,0|3,0,0]=3 598 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,0,0,0,0,0|2,0,2]=4 599 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,0,0,0,0,0|2,0,2]=4 600 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,0,0,0,0,0|2,0,2]=4 601 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,0,0,0,0,0|2,0,2]=4 602 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,0,0,0,0,0|2,0,0]=2 603 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,0,0,0,0,0|2,0,0]=2 604 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,0,0,0,0,0|2,0,0]=2 605 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,0,0,0,0,0|2,0,0]=2 606 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,0,0,0,0,0|3,0,0]=3 607 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,0,0,0,0,0|3,0,0]=3 608 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,0,0,0,0,0|3,0,0]=3 609 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,0,0,0,0,0|3,0,0]=3 610 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,0,0,0,0,0|3,0,0]=3 611 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,0,0,0,0,0|3,0,0]=3 612 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,0,0,0,0,0|3,0,0]=3 613 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,0,0,0,0,0|3,0,1]=4 614 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,0,0,0,0,0|3,0,1]=4 615 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,0,0,0,0,0|3,0,1]=4 616 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,0,0,0,0,0|3,0,1]=4 617 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,0,0,0,0,0|3,0,0]=3 618 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,0,0,0,0,0|3,0,0]=3 619 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,0,0,0,0,0|3,0,0]=3 620 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,0,0,0,0,0|3,0,0]=3 621 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,0,0,0,0,0|3,0,0]=3 622 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,0,0,0,0,0|3,0,0]=3 623 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,0,0,0,0,0|3,0,0]=3 624 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,0,0,0,0,0|3,0,0]=3 625 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,0,0,0,0,0|4,0,0]=4 626 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,0,0,0,0,0|2,0,2]=4 627 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,0,0,0,0,0|2,0,2]=4 628 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,0,0,0,0,0|2,0,0]=2 629 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,0,0,0,0,0|2,0,0]=2 630 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,0,0,0,0,0|3,0,0]=3 631 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,0,0,0,0,0|2,0,0]=2 632 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,0,0,0,0,0|3,0,1]=4 633 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,0,0,0,0,0|3,0,1]=4 634 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,0,0,0,0,0|3,0,1]=4 635 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,0,0,0,0,0|3,0,1]=4 636 B8R0.6 COCCCN(C)CF 269982a_100000224831_100015361967 [0,0,0,0,0,0|4,0,0]=4 637 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,0,0,0,0,0|3,0,1]=4 638 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,0,0,0,0,0|3,0,0]=3 639 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,0,0,0,0,0|3,0,0]=3 640 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,0,0,0,0,0|3,0,0]=3 641 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,0,0,0,0,0|3,0,0]=3 642 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,0,0,0,0,0|3,0,0]=3 643 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,0,0,0,0,0|3,0,0]=3 644 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,0,0,0,0,0|2,0,0]=2 645 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,0,0,0,0,0|3,0,0]=3 646 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,0,0,0,0,0|3,0,0]=3 647 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,0,0,0,0,0|3,0,1]=4 648 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,0,0,0,0,0|2,0,1]=3 649 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,0,0,0,0,0|2,0,1]=3 650 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,0,0,0,0,0|3,0,1]=4 651 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,0,0,0,0,0|3,0,1]=4 652 B8R0.6 N#CCSCC(=O)CF 1458a_100000150266_100015361967 [0,0,0,0,0,0|3,0,1]=4 653 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,0,0,0,0,0|2,0,0]=2 654 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,0,0,0,0,0|3,0,0]=3 655 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,0,0,0,0,0|2,0,2]=4 656 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,0,0,0,0,0|2,0,0]=2 657 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,0,0,0,0|2,0,0]=2 658 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,0,0,0,0,0|3,0,0]=3 659 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,0,0,0,0,0|3,0,0]=3 660 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,0,0,0,0,0|3,0,0]=3 661 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,0,0,0,0,0|3,0,0]=3 662 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,0,0,0,0,0|4,0,0]=4 663 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,0,0,0,0,0|3,0,0]=3 664 B8R0.6 [N-]=[N+]=NCCC(=O)CF 1458a_100000688302_100015361967 [0,0,0,0,0,0|4,0,0]=4 665 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|1,0,2]=4 666 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|1,0,2]=4 667 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 668 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 669 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 670 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|1,0,2]=4 671 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|1,0,2]=4 672 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,1]=3 673 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,0,0,0,0,0|2,0,1]=4 674 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,0,0,0,0,0|2,0,1]=4 675 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|2,0,1]=4 676 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 677 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,1]=3 679 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,0,0,0,0,0|2,0,1]=4 680 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|2,0,1]=4 681 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|2,0,1]=4 683 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,1]=3 684 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,1]=3 685 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,0,0,0,0,0|2,0,1]=4 686 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,0,0,0,0,0|2,0,1]=4 687 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 688 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|2,0,1]=4 691 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|2,0,1]=4 692 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|2,0,1]=4 693 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 694 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,2]=4 695 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 696 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 697 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,2]=4 698 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 699 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,2]=4 700 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,2]=4 701 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|1,0,2]=4 702 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 703 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 704 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|1,0,2]=4 705 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|1,0,2]=4 706 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,0,0,0,0,0|1,0,2]=4 707 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,0,0,0,0,0|1,0,2]=4 708 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|1,0,1]=3 709 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|1,0,1]=3 710 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|1,0,1]=3 711 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,0,1]=3 712 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,0,1]=3 713 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,0,1]=3 714 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,0,1]=3 715 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,0,1]=3 716 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,1]=3 717 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,1]=3 718 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,1]=3 719 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,1]=3 720 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|1,0,1]=3 721 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|1,0,1]=3 722 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|1,0,1]=3 723 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,0,0,0,0,0|2,0,1]=4 724 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|1,0,1]=3 725 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|1,0,1]=3 726 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,0,0,0,0,0|2,0,1]=4 727 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,0,0,0,0,0|2,0,1]=4 728 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,1]=3 729 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,1]=3 730 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,0,0,0,0,0|2,0,1]=4 731 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|2,0,1]=4 732 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|2,0,1]=4 733 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 734 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,1]=3 735 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|2,0,1]=4 736 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,1]=3 737 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,1]=3 738 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,0,0,0,0,0|2,0,1]=4 739 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,0,0,0,0,0|2,0,1]=4 740 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|2,0,1]=4 741 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 742 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|2,0,1]=4 743 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|2,0,1]=4 744 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|2,0,1]=4 745 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|2,0,1]=4 746 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,1]=4 747 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 748 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 749 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 750 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 751 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [1,0,0,0,0,0|1,0,2]=4 752 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [1,0,0,0,0,0|1,0,2]=4 753 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [1,0,0,0,0,0|1,0,2]=4 754 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [1,0,0,0,0,0|1,0,2]=4 755 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [1,0,0,0,0,0|1,0,2]=4 756 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|2,0,0]=3 757 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [1,0,0,0,0,0|3,0,0]=4 758 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,0,0,0,0,0|2,0,1]=4 759 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,1]=3 760 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 761 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,1]=3 762 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 763 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,1]=3 764 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 765 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,1]=3 766 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 767 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 768 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 769 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,1]=3 770 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,1]=3 771 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,1]=3 772 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,1]=3 773 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,0]=2 774 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,0]=2 775 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,0]=2 776 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,0]=2 777 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,0]=2 778 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 779 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 780 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,0]=2 781 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,0]=2 782 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,0]=3 783 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,0]=3 784 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,1]=3 785 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,1]=3 786 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,1]=4 787 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,1]=4 788 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,1]=4 789 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|2,0,1]=4 790 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|2,0,1]=4 791 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|2,0,1]=4 792 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|2,0,1]=4 793 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,1]=4 794 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 795 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 796 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,1]=3 797 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,1]=3 798 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,1]=3 799 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 800 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 801 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,1]=4 802 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|2,0,1]=4 803 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|2,0,1]=4 804 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,1]=4 805 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,1]=4 806 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,1]=4 807 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 811 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 812 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,1]=3 813 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,1]=3 814 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,1]=4 815 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,1]=4 816 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|2,0,1]=4 817 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 818 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,1]=4 819 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,1]=4 820 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 821 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 822 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 823 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,1]=4 827 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,1]=4 828 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,1]=4 829 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,1]=4 830 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,1]=4 831 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|2,0,1]=4 832 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 833 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 834 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,1]=4 835 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 836 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 837 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 838 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 839 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,1]=4 840 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,1]=4 841 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 842 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,1]=4 843 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 844 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 845 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 846 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,1]=4 847 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 848 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,1]=4 849 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,1]=4 850 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 851 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,1]=4 852 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,1]=4 853 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,1]=4 854 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,1]=4 855 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|2,0,1]=4 856 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|2,0,1]=4 857 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,1]=4 858 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,1]=4 859 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 860 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,1]=4 861 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,1]=4 862 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 863 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 864 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 865 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,1]=4 866 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,1]=4 867 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,0]=3 868 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,0]=3 869 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 870 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|2,0,1]=4 871 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,0]=3 872 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 873 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|2,0,0]=3 874 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 875 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,0]=3 876 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,0]=3 877 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,0]=3 878 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,0]=3 879 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,0]=3 880 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,0]=3 881 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,0,0,0,0|2,0,0]=3 882 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,0,0,0,0|2,0,0]=3 883 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,0]=3 884 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 885 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 886 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 887 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,0]=3 888 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 889 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,0]=3 890 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 891 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|2,0,0]=3 892 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 893 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 894 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 895 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,0]=3 896 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,0]=3 897 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 898 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 899 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 900 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,0]=3 901 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 902 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,0]=3 903 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,0]=3 904 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 905 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 906 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 907 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 908 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,0]=3 909 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,0]=3 910 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 911 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,0]=3 912 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,0]=3 913 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,0,0,0,0,0|3,0,0]=4 914 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,0]=3 915 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,0]=3 916 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,0]=3 917 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 918 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 919 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,0]=3 920 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,0]=3 921 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,0]=3 922 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,0]=3 923 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,0]=3 924 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,0,0,0,0,0|3,0,0]=4 925 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,0,0,0,0,0|3,0,0]=4 926 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,0,0,0,0,0|3,0,0]=4 927 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,0,0,0,0,0|3,0,0]=4 928 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,0,0,0,0,0|3,0,0]=4 929 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,0,0,0,0,0|3,0,0]=4 930 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|3,0,0]=4 931 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|3,0,0]=4 932 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|3,0,0]=4 933 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|3,0,0]=4 934 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 935 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 936 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|2,0,1]=4 937 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|2,0,1]=4 938 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,0]=3 939 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,0]=3 940 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|2,0,0]=3 941 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 942 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 943 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,0]=3 944 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,0]=3 945 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 946 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 947 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 948 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 949 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 950 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,0,0,0,0|2,0,0]=3 951 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,0,0,0,0|2,0,0]=3 952 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,0,0,0,0,0|3,0,0]=4 953 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,0,0,0,0,0|3,0,0]=4 954 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 955 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,1]=4 956 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 957 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 958 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|2,0,1]=4 959 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 960 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|2,0,1]=4 961 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|2,0,1]=4 962 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,0,1]=4 963 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,0,1]=4 964 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,0,1]=4 965 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|3,0,0]=4 966 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 967 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 968 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 969 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 970 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,1]=4 971 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 972 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 973 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 974 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|2,0,1]=4 975 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,0,1]=4 976 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,0,1]=4 977 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,0,1]=4 978 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 979 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,1]=4 980 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,1]=4 981 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 982 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,1]=4 983 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,1]=4 984 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|3,0,0]=4 985 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|3,0,0]=4 986 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|3,0,0]=4 987 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|3,0,0]=4 988 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,1]=4 989 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,1]=4 990 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 991 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|2,0,1]=4 992 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 993 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 994 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 995 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 996 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 997 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 998 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,0,0,0,0,0|3,0,0]=4 999 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,0,0,0,0,0|3,0,0]=4 1000 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,0,0,0,0,0|3,0,0]=4 1001 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1002 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1003 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,0,0,0,0,0|3,0,0]=4 1004 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,0,0,0,0,0|3,0,0]=4 1005 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,0,0,0,0,0|3,0,0]=4 1006 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1007 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,0,0,0,0,0|3,0,0]=4 1008 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 1009 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 1010 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 1011 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 1012 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 1013 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 1014 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 1015 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 1016 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 1017 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,1]=4 1018 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,1]=4 1019 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 1020 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|2,0,1]=4 1021 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|0,0,2]=3 1022 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,0,0,0,0,0|1,0,2]=4 1023 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|1,0,2]=4 1024 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|1,0,2]=4 1025 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|1,0,2]=4 1026 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|0,0,2]=3 1027 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|0,0,2]=3 1028 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,0,0,0,0,0|1,0,2]=4 1029 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,0,0,0,0,0|1,0,2]=4 1030 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|1,0,2]=4 1031 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 1032 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 1033 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 1034 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 1035 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 1036 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 1037 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 1038 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|0,0,2]=3 1039 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,0,0,0,0|1,0,2]=4 1040 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|0,0,2]=3 1041 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|1,0,2]=4 1042 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,2]=4 1043 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|1,0,2]=4 1044 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|1,0,2]=4 1045 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,2]=4 1046 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,2]=4 1047 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|0,0,2]=3 1048 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|0,0,2]=3 1049 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,0,0,0,0,0|1,0,2]=4 1050 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|1,0,2]=4 1051 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|1,0,2]=4 1052 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 1053 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 1054 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 1055 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 1056 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 1057 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 1058 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|0,0,2]=3 1059 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,0,0,0,0,0|1,0,2]=4 1060 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|0,0,2]=3 1061 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|0,0,2]=3 1062 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,0,0,0,0,0|1,0,2]=4 1063 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,0,0,0,0|1,0,2]=4 1064 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,2]=4 1065 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 1066 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 1067 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 1068 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|2,0,1]=4 1069 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|0,0,2]=3 1070 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,0,0,0,0,0|1,0,2]=4 1071 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,0,0,0,0,0|1,0,2]=4 1072 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|1,0,2]=4 1073 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|1,0,1]=3 1074 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|1,0,1]=3 1075 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|1,0,0]=2 1076 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,0]=2 1077 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,0,0]=2 1078 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,0,0]=2 1079 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,0]=2 1080 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,0]=2 1081 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|2,0,0]=3 1082 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|2,0,0]=3 1083 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|2,0,0]=3 1084 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 1085 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 1086 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 1087 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 1088 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 1089 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 1090 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,0,0]=3 1091 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,0,0]=3 1092 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,0,0,0,0,0|2,0,1]=4 1093 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,0,0,0,0,0|2,0,1]=4 1094 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,0,0,0,0,0|2,0,1]=4 1095 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,0,0,0,0,0|2,0,1]=4 1096 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|0,0,2]=3 1097 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,0,0,0,0|1,0,2]=4 1098 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|1,0,2]=4 1099 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 1100 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 1101 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|0,0,0]=1 1102 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|0,0,0]=1 1103 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|1,0,0]=2 1104 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,0]=2 1105 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,0]=2 1106 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 1107 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 1108 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 1109 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,1]=4 1110 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 1111 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,1]=4 1112 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,1]=4 1113 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 1114 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,1]=4 1115 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 1116 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,1]=4 1117 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 1118 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 1119 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 1120 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|2,0,1]=4 1121 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|2,0,1]=4 1122 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|2,0,1]=4 1123 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|2,0,1]=4 1124 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|2,0,0]=3 1125 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|2,0,0]=3 1126 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|2,0,0]=3 1127 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|2,0,0]=3 1128 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|2,0,0]=3 1129 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|2,0,0]=3 1130 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [1,0,0,0,0,0|3,0,0]=4 1131 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|2,0,0]=3 1132 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|2,0,0]=3 1133 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 1134 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 1135 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 1136 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 1137 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|2,0,0]=3 1138 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|2,0,0]=3 1139 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 1140 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 1141 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 1142 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 1143 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 1144 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 1145 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,0,0,0,0|2,0,1]=4 1146 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,0,0,0,0|2,0,1]=4 1147 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,0,0,0,0|2,0,1]=4 1148 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,0,0,0,0|2,0,1]=4 1149 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,0,0,0,0|2,0,1]=4 1150 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,0,0,0,0,0|3,0,0]=4 1151 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,0,0,0,0,0|3,0,0]=4 1152 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,0,0,0,0,0|3,0,0]=4 1153 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,0,0,0,0,0|3,0,0]=4 1154 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,0,0,0,0,0|3,0,0]=4 1155 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,0,0,0,0,0|3,0,0]=4 1156 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,0,0,0,0,0|3,0,0]=4 1157 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1158 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,0,0,0,0,0|3,0,0]=4 1159 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,0,0,0,0,0|3,0,0]=4 1160 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1161 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,0,0,0,0,0|3,0,0]=4 1162 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,0,0,0,0,0|3,0,0]=4 1163 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,0,0,0,0,0|3,0,0]=4 1164 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,0,0,0,0,0|3,0,0]=4 1165 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,0,0,0,0,0|3,0,0]=4 1166 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1167 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1168 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,0]=3 1169 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,0]=3 1170 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|2,0,0]=3 1171 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,0,0,0,0,0|2,0,1]=4 1172 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,0,0,0,0,0|2,0,1]=4 1173 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,0,0,0,0,0|2,0,1]=4 1174 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,0,0,0,0,0|1,0,2]=4 1175 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,0,0,0,0,0|1,0,2]=4 1176 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,0,0,0,0,0|2,0,1]=4 1177 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|2,0,0]=3 1178 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,0,0,0,0,0|3,0,0]=4 1179 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 1180 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 1181 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 1182 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,0]=2 1183 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,0]=2 1184 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|2,0,0]=3 1185 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,0]=3 1186 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 1187 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 1188 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,0]=3 1189 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,0]=3 1190 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 1191 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|2,0,0]=3 1192 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,0,0,0,0,0|2,0,1]=4 1193 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,0,0,0,0,0|1,0,2]=4 1194 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,0,0,0,0,0|3,0,0]=4 1195 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,0,0,0,0,0|2,0,1]=4 1196 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,0,0,0,0,0|2,0,1]=4 1197 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|1,0,0]=2 1198 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|1,0,0]=2 1199 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|1,0,0]=2 1200 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|2,0,0]=3 1201 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,0]=3 1202 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 1203 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 1204 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 1205 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,0]=3 1206 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,0]=3 1207 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|2,0,0]=3 1208 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|2,0,0]=3 1209 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,0,0,0,0,0|2,0,1]=4 1210 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,0,0,0,0,0|2,0,1]=4 1211 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,0,0,0,0,0|1,0,2]=4 1212 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,0,0,0,0,0|1,0,2]=4 1213 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,0,0,0,0,0|2,0,1]=4 1214 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,0,0,0,0,0|2,0,1]=4 1215 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|2,0,1]=4 1216 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 1217 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 1218 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 1219 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 1220 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 1221 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,0]=3 1222 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 1223 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 1224 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,0]=3 1225 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,0]=3 1226 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 1227 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,0]=3 1228 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,0]=3 1229 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 1230 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 1231 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 1232 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,0]=3 1233 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,0]=3 1234 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,0]=3 1235 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,0]=3 1236 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,0,0,0,0,0|3,0,0]=4 1237 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,0,0,0,0,0|3,0,0]=4 1238 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,0,0,0,0,0|3,0,0]=4 1239 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 1240 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 1241 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 1242 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 1243 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 1244 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|3,0,0]=4 1245 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 1246 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|3,0,0]=4 1247 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 1248 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 1249 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 1250 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,0]=3 1251 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 1252 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|2,0,0]=3 1253 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|2,0,0]=3 1254 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|2,0,0]=3 1255 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|2,0,0]=3 1256 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|2,0,0]=3 1257 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|2,0,0]=3 1258 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|2,0,0]=3 1259 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|3,0,0]=4 1260 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|3,0,0]=4 1261 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|3,0,0]=4 1262 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|3,0,0]=4 1263 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|2,0,0]=3 1264 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|2,0,0]=3 1265 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|2,0,0]=3 1266 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|2,0,0]=3 1267 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|2,0,0]=3 1268 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,0,0,0,0,0|2,0,1]=4 1269 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,0,0,0,0,0|2,0,1]=4 1270 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,0]=3 1271 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|2,0,0]=3 1272 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,0,0,0,0,0|3,0,0]=4 1273 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,0,0,0,0,0|3,0,0]=4 1274 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,0,0,0,0|3,0,0]=4 1275 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,0,0,0,0|3,0,0]=4 1276 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|0,0,2]=3 1277 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|0,0,2]=3 1278 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|0,0,2]=3 1279 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1280 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1281 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1282 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|1,0,2]=4 1283 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,0,0,0,0,0|1,0,2]=4 1284 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,0,0,0,0,0|1,0,2]=4 1285 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,0,0,0,0,0|1,0,2]=4 1286 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|2,0,1]=4 1287 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,0]=3 1288 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,0]=3 1289 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,0]=3 1290 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [1,0,0,0,0,0|3,0,0]=4 1291 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,0]=3 1292 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,0]=3 1293 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,0,0,0,0,0|3,0,0]=4 1294 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,0,0,0,0,0|3,0,0]=4 1295 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [1,0,0,0,0,0|3,0,0]=4 1296 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,0,0,0,0|3,0,0]=4 1297 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,0,0,0,0|3,0,0]=4 1298 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,0,0,0,0,0|3,0,0]=4 1299 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,0]=3 1300 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,0]=3 1301 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,0,0,0,0,0|3,0,0]=4 1302 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,0,0,0,0,0|3,0,0]=4 1303 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,0,0,0,0,0|3,0,0]=4 1304 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,0,0,0,0,0|3,0,0]=4 1305 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,0]=3 1306 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,0]=3 1307 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,0,0,0,0,0|3,0,0]=4 1308 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,0,0,0,0,0|3,0,0]=4 1309 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,0,0,0,0,0|3,0,0]=4 1310 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,0,0,0,0,0|3,0,0]=4 1311 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,0,0,0,0,0|3,0,0]=4 1312 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,0,0,0,0,0|3,0,0]=4 1313 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,0,0,0,0,0|3,0,0]=4 1314 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,0,0,0,0,0|3,0,0]=4 1315 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|2,0,1]=4 1316 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|2,0,1]=4 1317 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|2,0,1]=4 1318 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|2,0,1]=4 1319 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|0,0,2]=3 1320 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|0,0,2]=3 1321 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|0,0,2]=3 1322 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1323 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1324 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1325 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,2]=4 1326 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,0,0,0,0|1,0,2]=4 1327 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,0,0,0,0|1,0,2]=4 1328 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,0,0,0,0|1,0,2]=4 1329 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|1,0,2]=4 1330 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 1331 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 1332 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|1,0,2]=4 1333 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|2,0,1]=4 1334 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|2,0,1]=4 1335 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,0,0,0,0,0|1,0,2]=4 1336 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|1,0,1]=3 1337 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|1,0,1]=3 1338 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,0]=2 1339 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,0]=2 1340 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,0]=2 1341 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,0]=2 1342 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,0]=2 1343 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,0]=2 1344 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,0]=2 1345 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,0,0,0,0,0|3,0,0]=4 1346 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|2,0,0]=3 1347 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|2,0,0]=3 1348 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|2,0,0]=3 1349 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|2,0,0]=3 1350 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|2,0,1]=4 1351 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1352 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,0]=3 1353 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,0]=3 1354 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,0,0,0,0,0|2,0,1]=4 1355 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1356 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1357 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1358 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|2,0,1]=4 1359 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1360 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1361 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1362 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,0]=3 1363 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 1364 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 1365 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,0]=3 1366 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,0]=3 1367 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,0]=3 1368 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,0]=3 1369 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 1370 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|2,0,0]=3 1371 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|2,0,0]=3 1372 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,0,0,0,0|3,0,0]=4 1373 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,0,0,0,0|3,0,0]=4 1374 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 1375 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 1376 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 1377 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 1378 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,1]=4 1379 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,1]=4 1380 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|1,0,2]=4 1381 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|1,0,2]=4 1382 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|0,0,2]=3 1383 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|0,0,2]=3 1384 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|0,0,2]=3 1385 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|0,0,2]=3 1386 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 1387 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|0,0,2]=3 1388 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|0,0,2]=3 1389 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|0,0,2]=3 1390 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|0,0,2]=3 1391 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,0]=1 1392 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,0]=1 1393 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,0]=1 1394 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1395 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,0]=3 1396 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1397 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,0]=3 1398 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1399 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1400 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1401 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1402 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1403 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,0]=2 1404 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 1405 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 1406 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 1407 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 1408 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 1409 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,1]=4 1410 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 1411 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,1]=4 1412 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,1]=4 1413 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 1414 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,0]=3 1415 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 1416 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,1]=4 1417 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 1418 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|1,0,2]=4 1419 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|1,0,2]=4 1420 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,0]=3 1421 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,0]=2 1422 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,0]=2 1423 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 1424 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,0]=2 1425 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|2,0,0]=3 1426 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|2,0,1]=4 1427 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,1]=4 1428 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,1]=4 1429 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|2,0,1]=4 1430 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|1,0,2]=4 1431 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|2,0,1]=4 1432 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|2,0,1]=4 1433 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|1,0,2]=4 1434 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|3,0,0]=4 1435 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,0]=2 1436 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 1437 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 1438 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,0]=2 1439 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|2,0,0]=3 1440 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|2,0,0]=3 1441 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,1]=4 1442 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,1]=4 1443 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|1,0,2]=4 1444 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|1,0,2]=4 1445 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|1,0,2]=4 1446 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|1,0,2]=4 1447 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|3,0,0]=4 1448 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|2,0,1]=4 1449 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|2,0,1]=4 1450 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 1451 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|2,0,1]=4 1452 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|2,0,1]=4 1453 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|1,0,2]=4 1454 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|1,0,2]=4 1455 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|3,0,0]=4 1456 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|1,0,2]=4 1457 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|1,0,2]=4 1458 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|2,0,1]=4 1459 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|2,0,1]=4 1460 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,0]=2 1461 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,0]=2 1462 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,0]=2 1463 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,0]=2 1464 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1465 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 1466 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1467 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,0]=2 1468 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|2,0,1]=4 1469 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 1470 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|2,0,1]=4 1471 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 1472 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,2]=4 1473 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1474 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1475 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,1]=4 1476 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|2,0,0]=3 1477 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|2,0,1]=4 1478 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|2,0,1]=4 1479 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,0]=2 1480 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,0]=2 1481 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,0]=2 1482 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,0]=2 1483 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 1484 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 1485 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,0]=2 1486 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|2,0,1]=4 1487 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|2,0,1]=4 1488 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,0,2]=4 1489 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,0,2]=4 1490 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1491 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1492 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|3,0,0]=4 1493 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|2,0,0]=3 1494 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|2,0,0]=3 1495 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1496 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1497 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1498 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1499 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1500 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1501 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|3,0,0]=4 1502 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1503 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1504 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 1505 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,1]=4 1506 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 1507 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,0]=2 1508 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,0]=2 1509 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1510 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1511 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 1512 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 1513 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 1514 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,1]=4 1515 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 1516 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 1517 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 1518 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,2]=4 1519 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 1520 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 1521 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,0]=3 1522 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,0]=3 1523 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 1524 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 1525 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1526 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 1527 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1528 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,0]=3 1529 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,0]=3 1530 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1531 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 1532 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,0,2]=4 1533 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,0,2]=4 1534 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|2,0,1]=4 1535 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,0]=2 1536 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,0]=2 1537 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,0]=2 1538 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,0]=2 1539 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,0]=2 1540 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 1541 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,0]=2 1542 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 1543 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,1]=4 1544 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 1545 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|1,0,2]=4 1546 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1547 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1548 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1549 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1550 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1551 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1552 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|3,0,0]=4 1553 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 1554 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 1555 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,0]=3 1556 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,0]=3 1557 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 1558 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|2,0,0]=3 1559 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 1560 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 1561 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 1562 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|3,0,0]=4 1563 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 1564 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 1565 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|3,0,0]=4 1566 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|3,0,0]=4 1567 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,0]=3 1568 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|2,0,1]=4 1569 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|2,0,1]=4 1570 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,0]=2 1571 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,0]=2 1572 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,0]=2 1573 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 1574 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 1575 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,0]=2 1576 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,1]=4 1577 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,1]=4 1578 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|1,0,2]=4 1579 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|1,0,2]=4 1580 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|3,0,0]=4 1581 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1582 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1583 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1584 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,0]=3 1585 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,0]=3 1586 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,0]=3 1587 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 1588 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 1589 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|2,0,0]=3 1590 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|2,0,0]=3 1591 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 1592 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 1593 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 1594 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|3,0,0]=4 1595 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,0]=3 1596 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 1597 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 1598 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|3,0,0]=4 1599 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|3,0,0]=4 1600 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1601 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1602 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 1603 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 1604 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 1605 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 1606 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 1607 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 1608 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 1609 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 1610 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 1611 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 1612 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 1613 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 1614 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 1615 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|3,0,0]=4 1616 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|3,0,0]=4 1617 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|3,0,0]=4 1618 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|3,0,0]=4 1619 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|3,0,0]=4 1620 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|3,0,0]=4 1621 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|3,0,0]=4 1622 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|3,0,0]=4 1623 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|3,0,0]=4 1624 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|3,0,0]=4 1625 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|1,0,1]=3 1626 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,0]=2 1627 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,0,0,0,0,0|3,0,0]=4 1628 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,0]=3 1629 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,0,0,0,0,0|2,0,1]=4 1630 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1631 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 1632 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|3,0,0]=4 1633 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 1634 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 1635 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 1636 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 1637 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 1638 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 1639 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 1640 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 1641 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,0,0,0,0|0,0,3]=4 1642 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,1,0,0,0,0|0,0,2]=3 1643 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,0|0,0,2]=3 1644 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,1,0,0,0,0|1,0,2]=4 1645 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,1,0,0,0,0|1,0,2]=4 1646 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,1,0,0,0,0|1,0,2]=4 1647 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,1,0,0,0,0|2,0,1]=4 1648 B9R0.1 C=C(C)CNNC(=O)CC 22a_100000729518_100000210414 [0,1,0,0,0,0|2,0,1]=4 1649 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,1,0,0,0,0|1,0,1]=3 1650 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,1,0,0,0,0|2,0,1]=4 1651 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,1,0,0,0,0|1,0,1]=3 1654 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,1,0,0,0,0|1,0,1]=3 1655 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,1,0,0,0,0|2,0,1]=4 1656 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,1,0,0,0,0|2,0,1]=4 1657 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,0|2,0,1]=4 1658 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,0|2,0,1]=4 1659 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [0,1,0,0,0,0|1,0,2]=4 1660 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [0,1,0,0,0,0|1,0,2]=4 1661 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [0,1,0,0,0,0|1,0,2]=4 1662 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|0,0,3]=4 1663 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,0|0,0,2]=3 1664 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|0,0,2]=3 1665 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,1,0,0,0,0|1,0,2]=4 1666 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,0|1,0,2]=4 1667 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,0,0,0,0|1,0,2]=4 1668 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,1,0,0,0,0|1,0,2]=4 1669 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,1,0,0,0,0|1,0,2]=4 1670 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,1,0,0,0,0|1,0,2]=4 1671 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,0|1,0,2]=4 1672 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|1,0,1]=3 1673 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,1,0,0,0,0|2,0,1]=4 1674 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,0|2,0,1]=4 1675 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|2,0,1]=4 1676 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,1,0,0,0,0|2,0,1]=4 1677 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,0|1,0,2]=4 1678 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|1,0,0]=2 1679 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|1,0,0]=2 1680 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|2,0,1]=4 1681 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|2,0,1]=4 1682 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|2,0,1]=4 1683 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,0|2,0,0]=3 1684 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,0|2,0,0]=3 1685 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,1,0,0,0,0|3,0,0]=4 1686 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,1,0,0,0,0|2,0,0]=3 1687 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,0|2,0,0]=3 1688 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,0|2,0,0]=3 1689 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|1,0,0]=2 1690 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,0|2,0,0]=3 1691 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,0|2,0,0]=3 1692 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,1,0,0,0,0|3,0,0]=4 1693 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,0|0,0,2]=3 1694 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,1,0,0,0,0|1,0,2]=4 1695 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|0,0,2]=3 1696 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [0,1,0,0,0,0|1,0,2]=4 1697 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|0,0,1]=2 1698 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,0|1,0,1]=3 1699 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|0,0,0]=1 1700 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|0,0,0]=1 1701 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|0,0,0]=1 1702 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|1,0,0]=2 1703 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,1,0,0,0,0|2,0,0]=3 1704 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [0,1,0,0,0,0|2,0,1]=4 1705 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|1,0,1]=3 1706 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|1,0,1]=3 1707 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,1,0,0,0,0|2,0,1]=4 1709 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|1,0,1]=3 1710 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,1,0,0,0,0|2,0,1]=4 1711 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|1,0,0]=2 1712 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|1,0,1]=3 1713 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|1,0,0]=2 1714 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,1,0,0,0,0|2,0,1]=4 1717 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,1,0,0,0,0|2,0,1]=4 1718 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|1,0,0]=2 1719 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|1,0,0]=2 1720 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|1,0,0]=2 1721 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [0,1,0,0,0,0|2,0,0]=3 1722 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|1,0,0]=2 1723 B9R0.1 CCC(=O)COC[N+](=O)[O-] 34a_100000725409_100000761209 [0,1,0,0,0,0|3,0,0]=4 1724 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,1,0,0,0,0|2,0,1]=4 1725 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,1,0,0,0,0|2,0,1]=4 1726 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|1,0,0]=2 1729 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|1,0,0]=2 1730 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|1,0,0]=2 1731 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|1,0,0]=2 1732 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [0,1,0,0,0,0|2,0,0]=3 1733 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [0,1,0,0,0,0|2,0,0]=3 1734 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|1,0,0]=2 1735 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|1,0,0]=2 1736 B9R0.1 CCC(=O)CSC[N+](=O)[O-] 62a_100000747405_100000761209 [0,1,0,0,0,0|3,0,0]=4 1737 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 1738 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 1739 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 1740 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 1741 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 1742 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 1743 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|1,0,0]=2 1744 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|1,0,0]=2 1745 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|1,0,0]=2 1746 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|1,0,0]=2 1747 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|1,0,0]=2 1748 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|1,0,0]=2 1749 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,0,0,0,0|2,0,0]=3 1750 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,0,0,0,0|2,0,0]=3 1751 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,1,0,0,0,0|2,0,1]=4 1752 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,0,0,0,0|2,0,0]=3 1753 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,0,0,0,0|2,0,0]=3 1754 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,0,0,0,0|2,0,1]=4 1762 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,0,0,0,0|2,0,1]=4 1763 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,0,0,0,0|2,0,1]=4 1766 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,1,0,0,0,0|2,0,1]=4 1767 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,1,0,0,0,0|2,0,1]=4 1768 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,1,0,0,0,0|2,0,1]=4 1769 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,1,0,0,0,0|2,0,1]=4 1770 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,1,0,0,0,0|2,0,1]=4 1771 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,1,0,0,0,0|2,0,1]=4 1772 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,1,0,0,0,0|2,0,1]=4 1773 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,0|2,0,1]=4 1774 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,0|2,0,1]=4 1775 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,0|2,0,1]=4 1776 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,0|2,0,1]=4 1777 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,1,0,0,0,0|2,0,1]=4 1778 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,1,0,0,0,0|2,0,1]=4 1779 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,0,0,0,0|2,0,1]=4 1780 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,0,0,0,0|2,0,1]=4 1781 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,1,0,0,0,0|2,0,1]=4 1782 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,0,0,0,0|2,0,1]=4 1783 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,1,0,0,0,0|2,0,1]=4 1789 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,0|2,0,1]=4 1790 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,0|2,0,1]=4 1791 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,0,0,0,0|1,0,2]=4 1792 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,0,0,0,0|1,0,2]=4 1793 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,0,0,0,0|1,0,2]=4 1794 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,0,0,0,0|1,0,2]=4 1795 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,1,0,0,0,0|1,0,2]=4 1796 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,1,0,0,0,0|1,0,2]=4 1797 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,1,0,0,0,0|1,0,2]=4 1798 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,1,0,0,0,0|1,0,2]=4 1799 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,1,0,0,0,0|1,0,2]=4 1800 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,0|1,0,2]=4 1801 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,1,0,0,0,0|1,0,2]=4 1802 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,1,0,0,0,0|1,0,2]=4 1803 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,1,0,0,0,0|1,0,2]=4 1804 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,0|1,0,2]=4 1805 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,0|1,0,2]=4 1806 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,1,0,0,0,0|1,0,2]=4 1807 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,1,0,0,0,0|1,0,2]=4 1808 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,1,0,0,0,0|1,0,2]=4 1809 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,1,0,0,0,0|1,0,2]=4 1810 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,1,0,0,0,0|2,0,0]=3 1813 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,1,0,0,0,0|2,0,0]=3 1814 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,1,0,0,0,0|2,0,0]=3 1815 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,1,0,0,0,0|2,0,0]=3 1816 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [0,1,0,0,0,0|3,0,0]=4 1817 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [0,1,0,0,0,0|3,0,0]=4 1818 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [0,1,0,0,0,0|3,0,0]=4 1819 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [0,1,0,0,0,0|3,0,0]=4 1820 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [0,1,0,0,0,0|3,0,0]=4 1821 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [0,1,0,0,0,0|3,0,0]=4 1822 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [0,1,0,0,0,0|3,0,0]=4 1823 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [0,1,0,0,0,0|3,0,0]=4 1824 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [0,1,0,0,0,0|3,0,0]=4 1825 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [0,1,0,0,0,0|3,0,0]=4 1826 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,0,0,0,0|2,0,1]=4 1830 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,1,0,0,0,0|2,0,1]=4 1831 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,1,0,0,0,0|2,0,1]=4 1832 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,1,0,0,0,0|2,0,1]=4 1833 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,1,0,0,0,0|2,0,1]=4 1834 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,1,0,0,0,0|2,0,1]=4 1837 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,0|2,0,1]=4 1838 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,1,0,0,0,0|2,0,1]=4 1840 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,0|2,0,1]=4 1841 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,0|2,0,1]=4 1842 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,0|2,0,1]=4 1843 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,0|2,0,1]=4 1844 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,0|2,0,0]=3 1845 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,1,0,0,0,0|3,0,0]=4 1846 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,1,0,0,0,0|3,0,0]=4 1847 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,0|1,0,2]=4 1848 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 1849 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 1850 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|1,0,1]=3 1851 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|1,0,0]=2 1852 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1853 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1854 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1855 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|1,0,0]=2 1856 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|1,0,0]=2 1857 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,0|2,0,0]=3 1858 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 1859 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,0|2,0,0]=3 1860 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 1861 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,1,0,0,0,0|3,0,0]=4 1862 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1863 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1864 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1865 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,0|2,0,1]=4 1867 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1868 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 1869 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1870 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,0|2,0,1]=4 1871 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1872 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,0|2,0,0]=3 1873 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,0|2,0,0]=3 1874 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,0|2,0,0]=3 1875 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,0|2,0,0]=3 1876 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,0|2,0,0]=3 1877 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,0|2,0,0]=3 1878 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,0,0,0,0|2,0,1]=4 1879 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,0,0,0,0|2,0,1]=4 1880 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,0|2,0,0]=3 1881 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,0|2,0,0]=3 1882 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,0|2,0,0]=3 1883 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,0|2,0,0]=3 1884 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,0|2,0,0]=3 1885 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,0|2,0,0]=3 1886 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|2,0,0]=3 1887 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|2,0,0]=3 1888 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|2,0,0]=3 1889 B9R0.1 CNC(=O)CNCC(F)F 2230a_100000693194_100011934356 [0,1,0,0,0,0|3,0,0]=4 1890 B9R0.1 CNC(=O)CNCC(F)F 34a_100000765723_100000183359 [0,1,0,0,0,0|3,0,0]=4 1891 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|2,0,0]=3 1892 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,1,0,0,0,0|2,0,1]=4 1893 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,0|2,0,0]=3 1894 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,0|2,0,0]=3 1895 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1896 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1897 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,0|2,0,0]=3 1898 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,0|2,0,0]=3 1899 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1900 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,0|2,0,0]=3 1901 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|2,0,0]=3 1902 B9R0.1 CNC(=O)COCC(F)F 34a_100000743014_100000183359 [0,1,0,0,0,0|3,0,0]=4 1903 B9R0.1 CNC(=O)COCC(F)F 34a_100000750040_100011934356 [0,1,0,0,0,0|3,0,0]=4 1904 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,0|2,0,0]=3 1905 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,0|2,0,0]=3 1906 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|2,0,0]=3 1907 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,0|2,0,0]=3 1908 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,0|2,0,0]=3 1909 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|2,0,0]=3 1910 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|2,0,0]=3 1911 B9R0.1 CNC(=O)CSCC(F)F 62a_100000183359_100011934356 [0,1,0,0,0,0|3,0,0]=4 1912 B9R0.1 CNC(=O)CSCC(F)F 62a_100011934356_100000183359 [0,1,0,0,0,0|3,0,0]=4 1913 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|2,0,0]=3 1914 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|2,0,0]=3 1915 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|2,0,0]=3 1916 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|2,0,0]=3 1917 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|2,0,0]=3 1918 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|2,0,0]=3 1919 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|2,0,0]=3 1920 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|2,0,0]=3 1921 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|2,0,0]=3 1922 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|2,0,0]=3 1923 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|2,0,0]=3 1924 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|2,0,0]=3 1925 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,1,0,0,0,0|3,0,0]=4 1926 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,1,0,0,0,0|3,0,0]=4 1927 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,1,0,0,0,0|3,0,0]=4 1928 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,1,0,0,0,0|3,0,0]=4 1929 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,1,0,0,0,0|3,0,0]=4 1930 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,1,0,0,0,0|3,0,0]=4 1931 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,1,0,0,0,0|3,0,0]=4 1932 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,1,0,0,0,0|3,0,0]=4 1933 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,1,0,0,0,0|3,0,0]=4 1934 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,0,0,0,0|2,0,1]=4 1935 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,0,0,0,0|3,0,0]=4 1936 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|2,0,1]=4 1937 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|2,0,1]=4 1938 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|1,0,1]=3 1939 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|1,0,1]=3 1940 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|1,0,1]=3 1941 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,0|2,0,0]=3 1942 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,0|2,0,0]=3 1943 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,0|2,0,0]=3 1944 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,0|2,0,0]=3 1945 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,0|2,0,0]=3 1947 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,0|2,0,0]=3 1948 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,0|2,0,0]=3 1949 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,0|2,0,0]=3 1950 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,0|2,0,0]=3 1951 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,0|2,0,0]=3 1952 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,0|2,0,0]=3 1953 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|2,0,0]=3 1954 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,0]=3 1955 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,1,0,0,0,0|3,0,0]=4 1956 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,0|2,0,1]=4 1957 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,0|2,0,0]=3 1958 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,0|2,0,0]=3 1959 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,1,0,0,0,0|3,0,0]=4 1961 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,0|2,0,0]=3 1962 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,0|2,0,0]=3 1963 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,0|2,0,1]=4 1964 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,0|2,0,1]=4 1965 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,0|2,0,0]=3 1966 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,0|2,0,0]=3 1967 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|2,0,0]=3 1968 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|2,0,0]=3 1969 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,1,0,0,0,0|3,0,0]=4 1970 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,1,0,0,0,0|3,0,0]=4 1971 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|2,0,0]=3 1972 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|2,0,0]=3 1973 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,0|3,0,0]=4 1974 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|2,0,1]=4 1975 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|2,0,1]=4 1976 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,0,0,0,0|2,0,1]=4 1977 B9R0.1 O=C(CF)CCC[N+](=O)[O-] 1458a_100016109205_100015361967 [0,1,0,0,0,0|3,0,0]=4 1978 B9R0.5 C#CCC(=O)C#CCCC 1458a_200011218047_100000184674 [0,1,0,0,0,0|0,0,3]=4 1979 B9R0.5 C#CCC(=O)C/C=C/CC 1458a_100016274230_100000184674 [0,1,0,0,0,0|0,0,3]=4 1980 B9R0.5 C#CCC(=O)C/C=C\CC 1458a_100011220946_100103147603 [0,1,0,0,0,0|0,0,3]=4 1981 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [0,1,0,0,0,0|0,0,3]=4 1982 B9R0.5 C#CCC(=O)CC#CCC 1458a_100011220946_100009813939 [0,1,0,0,0,0|0,0,3]=4 1983 B9R0.5 C#CCC(=O)CCCC#N 1458a_100000075515_100000184674 [0,1,0,0,0,0|1,0,2]=4 1984 B9R0.5 C#CCC(=O)CCCC#N 1458a_100011220946_100000211468 [0,1,0,0,0,0|1,0,2]=4 1985 B9R0.5 C#CCC(=O)CCCC=C 1458a_100000766728_100000184674 [0,1,0,0,0,0|0,0,3]=4 1986 B9R0.5 C#CCC(=O)CCCC=C 1458a_100011220946_100000757094 [0,1,0,0,0,0|0,0,3]=4 1987 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|0,0,1]=2 1988 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|0,0,1]=2 1989 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,1,0,0,0,0|1,0,1]=3 1990 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,1,0,0,0,0|1,0,1]=3 1991 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,1,0,0,0,0|1,0,1]=3 1992 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,1,0,0,0,0|1,0,1]=3 1993 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,1,0,0,0,0|1,0,1]=3 1994 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,1,0,0,0,0|1,0,1]=3 1995 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,1,0,0,0,0|1,0,1]=3 1996 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,1,0,0,0,0|1,0,1]=3 1997 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,1,0,0,0,0|1,0,1]=3 1998 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,1,0,0,0,0|1,0,1]=3 1999 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,1,0,0,0,0|1,0,1]=3 2000 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,1,0,0,0,0|2,0,1]=4 2001 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,1,0,0,0,0|1,0,1]=3 2002 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,1,0,0,0,0|1,0,1]=3 2003 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,1,0,0,0,0|1,0,1]=3 2004 B9R0.5 C#CCC(=O)NCCCF 1626a_100015189416_100011220946 [0,1,0,0,0,0|2,0,1]=4 2005 B9R0.5 C#CCC(=O)NCCCF 527a_100015189416_100011220946 [0,1,0,0,0,0|2,0,1]=4 2006 B9R0.5 C#CCC(=O)NCCCO 527a_100000182051_100011220946 [0,1,0,0,0,0|2,0,1]=4 2007 B9R0.5 C#CCC(=O)NCCOC 1626a_100000209980_100011220946 [0,1,0,0,0,0|2,0,1]=4 2008 B9R0.5 C#CCC(=O)NCCOC 527a_100000209980_100011220946 [0,1,0,0,0,0|2,0,1]=4 2009 B9R0.5 C#CCC(=O)NCCSC 1626a_100020590264_100011220946 [0,1,0,0,0,0|2,0,1]=4 2010 B9R0.5 C#CCC(=O)NCCSC 527a_100020590264_100011220946 [0,1,0,0,0,0|2,0,1]=4 2011 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,1,0,0,0,0|0,0,3]=4 2012 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,1,0,0,0,0|0,0,3]=4 2013 B9R0.5 C#CCCCC(=O)CC#C 1458a_100000690238_100000184674 [0,1,0,0,0,0|0,0,3]=4 2014 B9R0.5 C#CCCCC(=O)CC#C 1458a_100011220946_100000731252 [0,1,0,0,0,0|0,0,3]=4 2015 B9R0.5 C#CCCCC(=O)CC#N 1458a_100000690238_100011214920 [0,1,0,0,0,0|0,0,3]=4 2016 B9R0.5 C#CCCCC(=O)CC#N 1458a_100051588842_100000731252 [0,1,0,0,0,0|0,0,3]=4 2017 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000210193_100000731252 [0,1,0,0,0,0|0,0,3]=4 2018 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000690238_100000210623 [0,1,0,0,0,0|0,0,3]=4 2019 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|0,0,2]=3 2020 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|0,0,2]=3 2021 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,1,0,0,0,0|0,0,2]=3 2022 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,1,0,0,0,0|0,0,2]=3 2023 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,1,0,0,0,0|0,0,2]=3 2024 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,1,0,0,0,0|0,0,2]=3 2025 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,1,0,0,0,0|0,0,2]=3 2026 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,1,0,0,0,0|0,0,2]=3 2027 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,1,0,0,0,0|0,0,2]=3 2028 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,1,0,0,0,0|0,0,2]=3 2029 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,1,0,0,0,0|1,0,2]=4 2030 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,1,0,0,0,0|1,0,2]=4 2031 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,1,0,0,0,0|1,0,2]=4 2032 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,1,0,0,0,0|1,0,2]=4 2033 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,1,0,0,0,0|1,0,2]=4 2034 B9R0.5 C#CCCNC(=O)CCO 240690a_100000755551_100011216618 [0,1,0,0,0,0|1,0,2]=4 2035 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,1,0,0,0,0|1,0,2]=4 2036 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,1,0,0,0,0|1,0,2]=4 2037 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,1,0,0,0,0|1,0,2]=4 2038 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,1,0,0,0,0|1,0,2]=4 2039 B9R0.5 C#CCCNC(=O)CSC 11a_100000755551_100000184570 [0,1,0,0,0,0|1,0,2]=4 2040 B9R0.5 C#CCCNC(=O)CSC 1626a_100000755551_100000184570 [0,1,0,0,0,0|1,0,2]=4 2041 B9R0.5 C#CCCNC(=O)CSC 240690a_100000755551_100000184570 [0,1,0,0,0,0|1,0,2]=4 2042 B9R0.5 C#CCCNC(=O)CSC 527a_100000755551_100000184570 [0,1,0,0,0,0|1,0,2]=4 2043 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,1,0,0,0,0|1,0,2]=4 2044 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,1,0,0,0,0|1,0,2]=4 2045 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,1,0,0,0,0|1,0,2]=4 2046 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,1,0,0,0,0|1,0,2]=4 2047 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,1,0,0,0,0|1,0,2]=4 2048 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,1,0,0,0,0|1,0,2]=4 2049 B9R0.5 C#CCN(C)CCCCC 2230a_100000223495_100000038162 [0,1,0,0,0,0|2,0,1]=4 2050 B9R0.5 C#CCN(C)CCCCC 2230a_100000225692_100000210326 [0,1,0,0,0,0|2,0,1]=4 2051 B9R0.5 C#CCN(C)CCCCC 34a_100000225692_100000718602 [0,1,0,0,0,0|2,0,1]=4 2052 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,1,0,0,0,0|1,0,2]=4 2053 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,1,0,0,0,0|1,0,2]=4 2054 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,1,0,0,0,0|1,0,2]=4 2055 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,1,0,0,0,0|1,0,2]=4 2056 B9R0.5 C#CCOCC(=O)CCF 1458a_100011251226_100011217306 [0,1,0,0,0,0|1,0,2]=4 2057 B9R0.5 C#CCOCC(=O)CCO 1458a_100011251226_100000211926 [0,1,0,0,0,0|1,0,2]=4 2058 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,1,0,0,0,0|1,0,2]=4 2059 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,1,0,0,0,0|1,0,2]=4 2060 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,1,0,0,0,0|1,0,2]=4 2061 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,1,0,0,0,0|1,0,2]=4 2062 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,1,0,0,0,0|1,0,2]=4 2063 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,1,0,0,0,0|1,0,2]=4 2064 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,1,0,0,0,0|1,0,2]=4 2065 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [0,1,0,0,0,0|0,0,3]=4 2066 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,1,0,0,0,0|0,0,3]=4 2067 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,1,0,0,0,0|0,0,3]=4 2068 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,1,0,0,0,0|0,0,3]=4 2069 B9R0.5 C=CCC(=O)CC#CCC 1458a_100000210193_100009813939 [0,1,0,0,0,0|0,0,3]=4 2070 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000075515_100000210623 [0,1,0,0,0,0|1,0,2]=4 2071 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000210193_100000211468 [0,1,0,0,0,0|1,0,2]=4 2072 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|0,0,1]=2 2073 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|0,0,1]=2 2074 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,0,0,0,0|1,0,1]=3 2075 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,0,0,0,0|1,0,1]=3 2076 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,0,0,0,0|1,0,1]=3 2077 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,0,0,0,0|1,0,1]=3 2078 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,0,0,0,0|1,0,1]=3 2079 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|1,0,1]=3 2080 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,0,0,0,0|1,0,1]=3 2081 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,0,0,0,0|1,0,1]=3 2082 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,0,0,0,0|1,0,1]=3 2083 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,0,0,0,0|1,0,1]=3 2084 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,0,0,0,0|1,0,1]=3 2085 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,1,0,0,0,0|2,0,1]=4 2086 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,0,0,0,0|1,0,1]=3 2087 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,0,0,0,0|1,0,1]=3 2088 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,0,0,0,0|1,0,1]=3 2089 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,0,0,0,0|1,0,1]=3 2090 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,0,0,0,0|1,0,1]=3 2091 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [0,1,0,0,0,0|2,0,1]=4 2092 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [0,1,0,0,0,0|2,0,1]=4 2093 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [0,1,0,0,0,0|2,0,1]=4 2094 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [0,1,0,0,0,0|2,0,1]=4 2095 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,1,0,0,0,0|2,0,1]=4 2096 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,1,0,0,0,0|2,0,1]=4 2097 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [0,1,0,0,0,0|2,0,1]=4 2098 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [0,1,0,0,0,0|2,0,1]=4 2099 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [0,1,0,0,0,0|2,0,1]=4 2100 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,1,0,0,0,0|2,0,1]=4 2101 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,1,0,0,0,0|2,0,1]=4 2102 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,1,0,0,0,0|2,0,1]=4 2103 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,1,0,0,0,0|2,0,1]=4 2104 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [0,1,0,0,0,0|2,0,1]=4 2105 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,1,0,0,0,0|0,0,3]=4 2106 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,1,0,0,0,0|0,0,3]=4 2107 B9R0.5 C=CCCCC(=O)CC#N 1458a_100000766728_100011214920 [0,1,0,0,0,0|0,0,3]=4 2108 B9R0.5 C=CCCCC(=O)CC#N 1458a_100051588842_100000757094 [0,1,0,0,0,0|0,0,3]=4 2109 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,1,0,0,0,0|0,0,3]=4 2110 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,1,0,0,0,0|0,0,3]=4 2111 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|0,0,2]=3 2112 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|0,0,2]=3 2113 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,1,0,0,0,0|0,0,2]=3 2114 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,1,0,0,0,0|0,0,2]=3 2115 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,1,0,0,0,0|0,0,2]=3 2116 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,1,0,0,0,0|0,0,2]=3 2117 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,1,0,0,0,0|0,0,2]=3 2118 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,0,0,0,0|0,0,2]=3 2119 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,0,0,0,0|0,0,2]=3 2120 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,0,0,0,0|0,0,2]=3 2121 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,1,0,0,0,0|1,0,2]=4 2122 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,1,0,0,0,0|1,0,2]=4 2123 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,1,0,0,0,0|1,0,2]=4 2124 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,1,0,0,0,0|1,0,2]=4 2125 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,1,0,0,0,0|1,0,2]=4 2126 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [0,1,0,0,0,0|1,0,2]=4 2127 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,1,0,0,0,0|1,0,2]=4 2128 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,1,0,0,0,0|1,0,2]=4 2129 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,1,0,0,0,0|1,0,2]=4 2130 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,1,0,0,0,0|1,0,2]=4 2131 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [0,1,0,0,0,0|1,0,2]=4 2132 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [0,1,0,0,0,0|1,0,2]=4 2133 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [0,1,0,0,0,0|1,0,2]=4 2134 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [0,1,0,0,0,0|1,0,2]=4 2135 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,1,0,0,0,0|1,0,2]=4 2136 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,1,0,0,0,0|1,0,2]=4 2137 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,1,0,0,0,0|1,0,2]=4 2138 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,1,0,0,0,0|1,0,2]=4 2139 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,1,0,0,0,0|1,0,2]=4 2140 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,1,0,0,0,0|1,0,2]=4 2141 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,1,0,0,0,0|2,0,1]=4 2142 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,1,0,0,0,0|2,0,1]=4 2143 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,1,0,0,0,0|2,0,1]=4 2144 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,1,0,0,0,0|2,0,1]=4 2145 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,1,0,0,0,0|1,0,2]=4 2146 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,1,0,0,0,0|1,0,2]=4 2147 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,1,0,0,0,0|1,0,2]=4 2148 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,1,0,0,0,0|1,0,2]=4 2149 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,1,0,0,0,0|1,0,2]=4 2150 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,1,0,0,0,0|1,0,2]=4 2151 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,1,0,0,0,0|1,0,2]=4 2152 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,1,0,0,0,0|1,0,2]=4 2153 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,1,0,0,0,0|1,0,2]=4 2154 B9R0.5 C=CCSCC(=O)CCF 1458a_100000230395_100011217306 [0,1,0,0,0,0|1,0,2]=4 2155 B9R0.5 C=CCSCC(=O)CCO 1458a_100000230395_100000211926 [0,1,0,0,0,0|1,0,2]=4 2156 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,1,0,0,0,0|1,0,2]=4 2157 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,1,0,0,0,0|1,0,2]=4 2158 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,1,0,0,0,0|1,0,2]=4 2159 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,1,0,0,0,0|1,0,2]=4 2160 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,1,0,0,0,0|1,0,2]=4 2161 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,1,0,0,0,0|1,0,2]=4 2162 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,1,0,0,0,0|1,0,2]=4 2163 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|1,0,2]=4 2164 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|1,0,2]=4 2165 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|1,0,2]=4 2166 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,1,0,0,0,0|1,0,2]=4 2167 B9R0.5 C=COCCC(=O)CCO 1458a_100011216618_100000039644 [0,1,0,0,0,0|1,0,2]=4 2168 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,1,0,0,0,0|1,0,2]=4 2169 B9R0.5 C=COCCC(=O)CSC 1458a_100000184570_100000039644 [0,1,0,0,0,0|1,0,2]=4 2170 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,1,0,0,0,0|0,0,3]=4 2171 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,1,0,0,0,0|0,0,3]=4 2172 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,1,0,0,0,0|1,0,2]=4 2173 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|0,0,1]=2 2174 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,1,0,0,0,0|1,0,1]=3 2175 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,1,0,0,0,0|1,0,1]=3 2176 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,1,0,0,0,0|1,0,1]=3 2177 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,1,0,0,0,0|1,0,1]=3 2178 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,1,0,0,0,0|1,0,1]=3 2179 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,1,0,0,0,0|2,0,1]=4 2180 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,1,0,0,0,0|1,0,2]=4 2181 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,1,0,0,0,0|1,0,2]=4 2182 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,1,0,0,0,0|1,0,2]=4 2183 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,1,0,0,0,0|1,0,2]=4 2184 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,1,0,0,0,0|1,0,2]=4 2185 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,1,0,0,0,0|1,0,2]=4 2186 B9R0.5 CC#CCNC(=O)CSC 11a_100000685387_100000184570 [0,1,0,0,0,0|1,0,2]=4 2187 B9R0.5 CC#CCNC(=O)CSC 1626a_100000685387_100000184570 [0,1,0,0,0,0|1,0,2]=4 2188 B9R0.5 CC#CCNC(=O)CSC 527a_100000685387_100000184570 [0,1,0,0,0,0|1,0,2]=4 2189 B9R0.5 CC#CCNC(=O)NCC 2708a_100015525214_100000685387 [0,1,0,0,0,0|1,0,2]=4 2190 B9R0.5 CC#CCNC(=O)NCC 273464a_100000685387_100015525214 [0,1,0,0,0,0|1,0,2]=4 2191 B9R0.5 CC#CCNC(=O)NCC 273464a_100015525214_100000685387 [0,1,0,0,0,0|1,0,2]=4 2192 B9R0.5 CC#CCNC(=O)NCC 512a_100000685387_100015525214 [0,1,0,0,0,0|1,0,2]=4 2193 B9R0.5 CC#CCNC(=O)NCC 512a_100015525214_100000685387 [0,1,0,0,0,0|1,0,2]=4 2194 B9R0.5 CC/C=C/CC(=O)CC#N 1458a_100016274230_100011214920 [0,1,0,0,0,0|0,0,3]=4 2195 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|0,0,2]=3 2196 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,1,0,0,0,0|0,0,2]=3 2197 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,1,0,0,0,0|0,0,2]=3 2198 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|0,0,2]=3 2199 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|0,0,2]=3 2200 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|0,0,2]=3 2201 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,1,0,0,0,0|1,0,2]=4 2202 B9R0.5 CC/C=C\CC(=O)CC#N 1458a_100051588842_100103147603 [0,1,0,0,0,0|0,0,3]=4 2203 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|0,0,2]=3 2204 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,1,0,0,0,0|0,0,2]=3 2205 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,0,0,0,0|0,0,2]=3 2206 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,1,0,0,0,0|0,0,2]=3 2207 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,1,0,0,0,0|0,0,3]=4 2208 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,1,0,0,0,0|0,0,3]=4 2209 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,1,0,0,0,0|1,0,2]=4 2210 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|0,0,1]=2 2211 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|1,0,1]=3 2212 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|1,0,1]=3 2213 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|1,0,1]=3 2214 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|1,0,1]=3 2215 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|1,0,1]=3 2216 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|1,0,1]=3 2217 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|1,0,1]=3 2218 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|1,0,1]=3 2219 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,1,0,0,0,0|2,0,1]=4 2220 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,1,0,0,0,0|2,0,1]=4 2221 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,1,0,0,0,0|2,0,1]=4 2222 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,1,0,0,0,0|2,0,1]=4 2223 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,1,0,0,0,0|2,0,1]=4 2224 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,1,0,0,0,0|2,0,1]=4 2225 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,1,0,0,0,0|2,0,1]=4 2226 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,1,0,0,0,0|2,0,1]=4 2227 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,1,0,0,0,0|2,0,1]=4 2228 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,1,0,0,0,0|2,0,1]=4 2229 B9R0.5 CCC#CCC(=O)CC#N 1458a_100051588842_100009813939 [0,1,0,0,0,0|0,0,3]=4 2230 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,1,0,0,0,0|0,0,2]=3 2231 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,1,0,0,0,0|0,0,2]=3 2232 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,1,0,0,0,0|0,0,2]=3 2233 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,1,0,0,0,0|0,0,2]=3 2234 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,1,0,0,0,0|2,0,1]=4 2235 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,1,0,0,0,0|2,0,1]=4 2236 B9R0.5 CCCC#CC(=O)CC#N 1458a_200011218047_100011214920 [0,1,0,0,0,0|0,0,3]=4 2237 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,1,0,0,0,0|0,0,2]=3 2238 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,1,0,0,0,0|0,0,2]=3 2239 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,1,0,0,0,0|0,0,2]=3 2240 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,1,0,0,0,0|0,0,2]=3 2241 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,1,0,0,0,0|1,0,2]=4 2242 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,1,0,0,0,0|1,0,2]=4 2243 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,1,0,0,0,0|1,0,2]=4 2244 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,1,0,0,0,0|1,0,2]=4 2245 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|1,0,1]=3 2246 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|1,0,1]=3 2247 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|1,0,0]=2 2248 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|1,0,0]=2 2249 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|1,0,0]=2 2250 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|1,0,0]=2 2251 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|1,0,0]=2 2252 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|1,0,0]=2 2253 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|1,0,0]=2 2255 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|1,0,0]=2 2256 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|1,0,0]=2 2257 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|1,0,0]=2 2258 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,1,0,0,0,0|2,0,0]=3 2259 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,1,0,0,0,0|2,0,0]=3 2260 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,1,0,0,0,0|2,0,1]=4 2261 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,1,0,0,0,0|2,0,1]=4 2262 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,1,0,0,0,0|2,0,1]=4 2263 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,1,0,0,0,0|2,0,1]=4 2264 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,1,0,0,0,0|2,0,1]=4 2265 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,1,0,0,0,0|2,0,0]=3 2266 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,1,0,0,0,0|2,0,0]=3 2267 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,0,0,0,0|2,0,0]=3 2268 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,0,0,0,0|2,0,0]=3 2269 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,1,0,0,0,0|2,0,0]=3 2270 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,1,0,0,0,0|2,0,0]=3 2271 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,1,0,0,0,0|2,0,0]=3 2272 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,1,0,0,0,0|2,0,0]=3 2273 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,1,0,0,0,0|2,0,1]=4 2274 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,1,0,0,0,0|2,0,1]=4 2275 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,1,0,0,0,0|2,0,1]=4 2276 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,1,0,0,0,0|2,0,1]=4 2277 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,1,0,0,0,0|2,0,0]=3 2278 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,1,0,0,0,0|2,0,0]=3 2279 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,1,0,0,0,0|2,0,0]=3 2280 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,1,0,0,0,0|2,0,0]=3 2281 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,1,0,0,0,0|2,0,0]=3 2282 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,1,0,0,0,0|2,0,0]=3 2283 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,1,0,0,0,0|2,0,0]=3 2284 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,1,0,0,0,0|2,0,0]=3 2285 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,1,0,0,0,0|2,0,0]=3 2286 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,1,0,0,0,0|2,0,0]=3 2287 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,1,0,0,0,0|2,0,0]=3 2288 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,1,0,0,0,0|2,0,0]=3 2289 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,1,0,0,0,0|2,0,0]=3 2290 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,1,0,0,0,0|3,0,0]=4 2291 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,1,0,0,0,0|2,0,0]=3 2292 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,1,0,0,0,0|2,0,0]=3 2293 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,1,0,0,0,0|2,0,0]=3 2294 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,1,0,0,0,0|3,0,0]=4 2295 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,1,0,0,0,0|2,0,1]=4 2296 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,1,0,0,0,0|2,0,1]=4 2298 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,1,0,0,0,0|2,0,1]=4 2299 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,1,0,0,0,0|2,0,1]=4 2300 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,1,0,0,0,0|2,0,1]=4 2301 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [0,1,0,0,0,0|0,0,3]=4 2302 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,0,0,0,0|0,0,2]=3 2303 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,1,0,0,0,0|0,0,2]=3 2304 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,0,0,0,0|0,0,2]=3 2305 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,0,0,0,0|0,0,2]=3 2306 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,0,0,0,0|0,0,2]=3 2307 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,1,0,0,0,0|1,0,2]=4 2308 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|0,0,2]=3 2309 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|0,0,2]=3 2310 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|0,0,2]=3 2311 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|0,0,1]=2 2312 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|0,0,1]=2 2313 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|0,0,0]=1 2314 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|0,0,0]=1 2315 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|0,0,0]=1 2316 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|0,0,0]=1 2317 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|0,0,0]=1 2318 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|0,0,0]=1 2319 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|0,0,0]=1 2320 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|0,0,0]=1 2321 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|0,0,0]=1 2322 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|0,0,0]=1 2323 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|0,0,0]=1 2324 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|0,0,0]=1 2325 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|0,0,0]=1 2326 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|0,0,0]=1 2327 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|0,0,0]=1 2328 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|0,0,0]=1 2329 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|0,0,0]=1 2330 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|0,0,0]=1 2331 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|1,0,0]=2 2332 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,0,0,0,0|1,0,1]=3 2333 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,0,0,0,0|1,0,1]=3 2334 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,0,0,0,0|1,0,1]=3 2335 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|1,0,1]=3 2336 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|1,0,1]=3 2337 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|1,0,1]=3 2338 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 2339 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 2340 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,0,0,0,0|1,0,1]=3 2341 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,0,0,0,0|1,0,1]=3 2342 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,1,0,0,0,0|2,0,1]=4 2343 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,1,0,0,0,0|2,0,1]=4 2344 B9R0.5 CCCCCN(C)CC#N 2230a_100000223495_100011215382 [0,1,0,0,0,0|2,0,1]=4 2345 B9R0.5 CCCCCN(C)CC#N 2230a_100000748184_100000210326 [0,1,0,0,0,0|2,0,1]=4 2346 B9R0.5 CCCCCN(C)CC#N 269982a_100000223495_100011214920 [0,1,0,0,0,0|2,0,1]=4 2347 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,0,0,0,0|2,0,1]=4 2348 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,0,0,0,0|2,0,1]=4 2349 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,1,0,0,0,0|2,0,0]=3 2350 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,1,0,0,0,0|2,0,0]=3 2351 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,1,0,0,0,0|2,0,0]=3 2352 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,1,0,0,0,0|2,0,0]=3 2353 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,1,0,0,0,0|2,0,0]=3 2354 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,1,0,0,0,0|2,0,0]=3 2355 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,1,0,0,0,0|2,0,0]=3 2356 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,1,0,0,0,0|2,0,0]=3 2357 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,1,0,0,0,0|2,0,0]=3 2358 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,1,0,0,0,0|2,0,0]=3 2359 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,1,0,0,0,0|2,0,0]=3 2360 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,1,0,0,0,0|2,0,0]=3 2361 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,1,0,0,0,0|2,0,0]=3 2362 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,1,0,0,0,0|2,0,0]=3 2363 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,1,0,0,0,0|2,0,0]=3 2364 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,1,0,0,0,0|2,0,0]=3 2365 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [0,1,0,0,0,0|2,0,0]=3 2366 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [0,1,0,0,0,0|2,0,0]=3 2367 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,1,0,0,0,0|2,0,0]=3 2368 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,1,0,0,0,0|2,0,0]=3 2369 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,1,0,0,0,0|2,0,0]=3 2370 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,1,0,0,0,0|2,0,0]=3 2371 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,1,0,0,0,0|1,0,2]=4 2372 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,1,0,0,0,0|1,0,2]=4 2373 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,1,0,0,0,0|1,0,2]=4 2374 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,1,0,0,0,0|1,0,2]=4 2375 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,1,0,0,0,0|1,0,2]=4 2376 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,1,0,0,0,0|1,0,2]=4 2377 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,1,0,0,0,0|1,0,1]=3 2378 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,1,0,0,0,0|1,0,1]=3 2379 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|1,0,0]=2 2380 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|1,0,0]=2 2381 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|1,0,0]=2 2382 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|1,0,0]=2 2383 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|1,0,0]=2 2384 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|1,0,0]=2 2385 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|1,0,0]=2 2386 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|1,0,0]=2 2387 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|1,0,0]=2 2388 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|1,0,0]=2 2389 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|1,0,0]=2 2390 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|1,0,0]=2 2391 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|1,0,0]=2 2392 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|1,0,0]=2 2393 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|1,0,0]=2 2394 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|1,0,0]=2 2395 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|1,0,0]=2 2396 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|1,0,0]=2 2397 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|1,0,0]=2 2398 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|1,0,0]=2 2399 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|1,0,0]=2 2400 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|1,0,0]=2 2401 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|1,0,0]=2 2402 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|1,0,0]=2 2403 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|1,0,0]=2 2404 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|1,0,0]=2 2405 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|1,0,0]=2 2406 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,1,0,0,0,0|2,0,0]=3 2407 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,1,0,0,0,0|2,0,0]=3 2408 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,1,0,0,0,0|2,0,0]=3 2409 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,1,0,0,0,0|2,0,1]=4 2410 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,1,0,0,0,0|2,0,1]=4 2411 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,1,0,0,0,0|2,0,1]=4 2412 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,1,0,0,0,0|2,0,1]=4 2413 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,1,0,0,0,0|2,0,1]=4 2414 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,1,0,0,0,0|2,0,1]=4 2415 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,1,0,0,0,0|2,0,1]=4 2416 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,1,0,0,0,0|2,0,1]=4 2417 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,1,0,0,0,0|2,0,1]=4 2418 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,1,0,0,0,0|2,0,1]=4 2419 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,1,0,0,0,0|2,0,1]=4 2420 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,1,0,0,0,0|2,0,1]=4 2421 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,1,0,0,0,0|2,0,1]=4 2422 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|1,0,0]=2 2423 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|1,0,0]=2 2424 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|1,0,0]=2 2425 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|1,0,0]=2 2426 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|1,0,0]=2 2427 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|1,0,0]=2 2428 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|1,0,0]=2 2429 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|1,0,0]=2 2430 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,1,0,0,0,0|2,0,1]=4 2431 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,1,0,0,0,0|2,0,1]=4 2432 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,1,0,0,0,0|2,0,1]=4 2433 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,1,0,0,0,0|2,0,1]=4 2434 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,1,0,0,0,0|2,0,1]=4 2435 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,1,0,0,0,0|2,0,1]=4 2436 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,1,0,0,0,0|2,0,1]=4 2437 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,1,0,0,0,0|2,0,1]=4 2438 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,1,0,0,0,0|2,0,1]=4 2439 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,1,0,0,0,0|2,0,1]=4 2440 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,1,0,0,0,0|2,0,1]=4 2441 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,1,0,0,0,0|2,0,1]=4 2442 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,1,0,0,0,0|2,0,1]=4 2443 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,1,0,0,0,0|2,0,1]=4 2444 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,1,0,0,0,0|2,0,1]=4 2445 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,1,0,0,0,0|2,0,1]=4 2446 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,1,0,0,0,0|3,0,0]=4 2447 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,1,0,0,0,0|3,0,0]=4 2448 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,1,0,0,0,0|3,0,0]=4 2449 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,1,0,0,0,0|3,0,0]=4 2450 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,1,0,0,0,0|3,0,0]=4 2451 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,1,0,0,0,0|3,0,0]=4 2452 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 2453 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 2454 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 2455 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 2456 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,1,0,0,0,0|3,0,0]=4 2457 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,1,0,0,0,0|3,0,0]=4 2458 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 2459 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 2460 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|1,0,0]=2 2461 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,1,0,0,0,0|2,0,1]=4 2462 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,0,0,0,0|1,0,2]=4 2463 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,0,0,0,0|1,0,2]=4 2464 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [0,1,0,0,0,0|3,0,0]=4 2465 B9R0.5 CCCNN=C(C)COC 4a_100000740057_100000749346 [0,1,0,0,0,0|3,0,0]=4 2466 B9R0.5 CCCNN=C(C)CSC 4a_100000740057_100011216314 [0,1,0,0,0,0|3,0,0]=4 2467 B9R0.5 CCCNNC(=O)CC#N 22a_100000740057_100051588842 [0,1,0,0,0,0|2,0,1]=4 2468 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,1,0,0,0,0|2,0,0]=3 2469 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,1,0,0,0,0|2,0,0]=3 2470 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,1,0,0,0,0|2,0,0]=3 2471 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,1,0,0,0,0|2,0,0]=3 2472 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,1,0,0,0,0|2,0,0]=3 2473 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,1,0,0,0,0|2,0,0]=3 2474 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,1,0,0,0,0|2,0,0]=3 2475 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,1,0,0,0,0|3,0,0]=4 2476 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,1,0,0,0,0|3,0,0]=4 2477 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,1,0,0,0,0|1,0,1]=3 2478 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|1,0,0]=2 2479 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|1,0,0]=2 2480 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|1,0,0]=2 2481 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|1,0,0]=2 2482 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|1,0,0]=2 2483 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|1,0,0]=2 2484 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|1,0,0]=2 2485 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|2,0,0]=3 2486 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,1,0,0,0,0|2,0,0]=3 2487 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,0]=2 2488 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,1,0,0,0,0|2,0,1]=4 2489 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,1,0,0,0,0|2,0,1]=4 2490 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,1,0,0,0,0|2,0,1]=4 2491 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 2492 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,0,0,0,0|2,0,1]=4 2493 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,0,0,0,0|1,0,2]=4 2494 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,1,0,0,0,0|2,0,1]=4 2495 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,1,0,0,0,0|1,0,1]=3 2496 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|1,0,0]=2 2497 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|1,0,0]=2 2498 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|1,0,0]=2 2499 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|1,0,0]=2 2500 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|1,0,0]=2 2501 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|1,0,0]=2 2502 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|1,0,0]=2 2503 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|1,0,0]=2 2504 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|1,0,0]=2 2505 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|1,0,0]=2 2506 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|2,0,0]=3 2507 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|2,0,0]=3 2508 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,1,0,0,0,0|2,0,0]=3 2509 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,0,0]=2 2510 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,0,0]=2 2511 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,1,0,0,0,0|2,0,1]=4 2512 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,1,0,0,0,0|2,0,1]=4 2513 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,1,0,0,0,0|2,0,1]=4 2514 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,0,0,0,0|1,0,2]=4 2515 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,0,0,0,0|1,0,2]=4 2516 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,1,0,0,0,0|2,0,1]=4 2517 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,1,0,0,0,0|1,0,2]=4 2518 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,1,0,0,0,0|1,0,2]=4 2519 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,1,0,0,0,0|1,0,2]=4 2520 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,1,0,0,0,0|1,0,2]=4 2521 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,1,0,0,0,0|1,0,1]=3 2522 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,1,0,0,0,0|1,0,1]=3 2523 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,1,0,0,0,0|1,0,1]=3 2524 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|1,0,0]=2 2525 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|1,0,0]=2 2526 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|1,0,0]=2 2527 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 2528 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 2529 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 2530 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,1,0,0,0,0|3,0,0]=4 2531 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,1,0,0,0,0|3,0,0]=4 2532 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,1,0,0,0,0|2,0,0]=3 2533 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|1,0,0]=2 2534 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|1,0,0]=2 2535 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|1,0,0]=2 2536 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|1,0,0]=2 2537 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|1,0,0]=2 2538 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|1,0,0]=2 2539 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|1,0,0]=2 2540 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|1,0,0]=2 2541 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,1,0,0,0,0|2,0,0]=3 2542 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,1,0,0,0,0|2,0,0]=3 2543 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,1,0,0,0,0|2,0,1]=4 2544 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,1,0,0,0,0|2,0,1]=4 2545 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,1,0,0,0,0|2,0,0]=3 2546 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,1,0,0,0,0|2,0,0]=3 2547 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,1,0,0,0,0|2,0,0]=3 2548 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,1,0,0,0,0|2,0,0]=3 2549 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,1,0,0,0,0|2,0,0]=3 2550 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,1,0,0,0,0|2,0,0]=3 2551 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,0,0,0,0|2,0,0]=3 2552 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,1,0,0,0,0|2,0,0]=3 2553 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,1,0,0,0,0|2,0,0]=3 2554 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,1,0,0,0,0|2,0,0]=3 2555 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,1,0,0,0,0|2,0,1]=4 2556 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,1,0,0,0,0|2,0,1]=4 2557 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,1,0,0,0,0|2,0,1]=4 2558 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,1,0,0,0,0|2,0,1]=4 2559 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,1,0,0,0,0|2,0,1]=4 2560 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,1,0,0,0,0|2,0,1]=4 2561 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,1,0,0,0,0|2,0,0]=3 2562 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,1,0,0,0,0|2,0,0]=3 2563 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,0,0,0,0|2,0,0]=3 2564 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,0,0,0,0|2,0,0]=3 2565 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,1,0,0,0,0|2,0,0]=3 2566 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,1,0,0,0,0|2,0,0]=3 2567 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,0,0,0,0|2,0,0]=3 2568 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,0,0,0,0|2,0,0]=3 2569 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 2570 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 2571 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 2572 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 2573 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 2574 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 2575 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,1,0,0,0,0|2,0,0]=3 2576 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,1,0,0,0,0|2,0,0]=3 2577 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,1,0,0,0,0|2,0,0]=3 2578 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,1,0,0,0,0|2,0,0]=3 2579 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,1,0,0,0,0|2,0,0]=3 2580 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,1,0,0,0,0|2,0,0]=3 2581 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,0,0,0,0|2,0,0]=3 2582 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,0,0,0,0|2,0,0]=3 2583 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,0,0,0,0|2,0,0]=3 2584 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,0,0,0,0|2,0,0]=3 2585 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,1,0,0,0,0|2,0,0]=3 2586 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,1,0,0,0,0|2,0,0]=3 2587 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,1,0,0,0,0|2,0,0]=3 2588 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 2589 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 2590 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 2591 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 2592 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 2593 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 2594 B9R0.5 CCNC(=O)NNCCO 273464a_100015525214_100000210001 [0,1,0,0,0,0|3,0,0]=4 2595 B9R0.5 CCNC(=O)NNCCO 512a_100015525214_100000210001 [0,1,0,0,0,0|3,0,0]=4 2596 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,0,0,0,0|2,0,1]=4 2597 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,1,0,0,0,0|2,0,1]=4 2598 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|1,0,0]=2 2599 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|1,0,0]=2 2600 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|1,0,0]=2 2601 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,1,0,0,0,0|2,0,1]=4 2602 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,0,0,0,0|1,0,2]=4 2603 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,0,0,0,0|1,0,2]=4 2604 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,0,0,0,0|1,0,2]=4 2605 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,0,0,0,0|1,0,2]=4 2606 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,0,0,0,0|1,0,2]=4 2607 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,0,0,0,0|1,0,2]=4 2608 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,0,0,0,0|1,0,2]=4 2609 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,0,0,0,0|1,0,2]=4 2610 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,0]=2 2611 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,0]=2 2612 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,0]=2 2613 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|1,0,0]=2 2614 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|1,0,0]=2 2615 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|1,0,0]=2 2616 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|1,0,0]=2 2617 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|1,0,0]=2 2618 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|1,0,0]=2 2619 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|1,0,0]=2 2620 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|1,0,0]=2 2621 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|1,0,0]=2 2622 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,1,0,0,0,0|2,0,0]=3 2623 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,1,0,0,0,0|2,0,0]=3 2624 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|2,0,0]=3 2625 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|2,0,0]=3 2626 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|2,0,0]=3 2627 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|2,0,0]=3 2628 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|2,0,0]=3 2629 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,1,0,0,0,0|2,0,1]=4 2630 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,1,0,0,0,0|2,0,1]=4 2631 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,1,0,0,0,0|2,0,1]=4 2632 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,1,0,0,0,0|2,0,1]=4 2633 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|2,0,0]=3 2634 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|2,0,0]=3 2635 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|2,0,0]=3 2636 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|2,0,0]=3 2637 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|2,0,0]=3 2638 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|2,0,0]=3 2639 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|2,0,0]=3 2640 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|2,0,0]=3 2641 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|2,0,0]=3 2642 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|2,0,0]=3 2643 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|2,0,0]=3 2644 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|2,0,0]=3 2645 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|2,0,0]=3 2646 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|2,0,0]=3 2647 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,1,0,0,0,0|3,0,0]=4 2648 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|2,0,1]=4 2649 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|2,0,1]=4 2650 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,1,0,0,0,0|1,0,2]=4 2651 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,1,0,0,0,0|1,0,2]=4 2652 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,0,0,0,0|1,0,2]=4 2653 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,0,0,0,0|1,0,2]=4 2654 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,0,0,0,0|1,0,2]=4 2655 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,1,0,0,0,0|1,0,1]=3 2656 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,1,0,0,0,0|1,0,1]=3 2657 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|1,0,0]=2 2658 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|1,0,0]=2 2659 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|1,0,0]=2 2660 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|1,0,0]=2 2661 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,1,0,0,0,0|1,0,0]=2 2662 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,1,0,0,0,0|2,0,0]=3 2663 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|1,0,0]=2 2664 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [0,1,0,0,0,0|3,0,0]=4 2665 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [0,1,0,0,0,0|3,0,0]=4 2666 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,0,0,0,0|1,0,2]=4 2667 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,0,0,0,0|1,0,2]=4 2668 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,0,0,0,0|1,0,2]=4 2669 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,1,0,0,0,0|1,0,1]=3 2670 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,1,0,0,0,0|1,0,1]=3 2671 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|1,0,0]=2 2672 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|1,0,0]=2 2673 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|1,0,0]=2 2674 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|1,0,0]=2 2675 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,1,0,0,0,0|1,0,0]=2 2676 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,1,0,0,0,0|2,0,0]=3 2677 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [0,1,0,0,0,0|3,0,0]=4 2678 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [0,1,0,0,0,0|3,0,0]=4 2679 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [0,1,0,0,0,0|3,0,0]=4 2680 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [0,1,0,0,0,0|3,0,0]=4 2681 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [0,1,0,0,0,0|3,0,0]=4 2682 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [0,1,0,0,0,0|3,0,0]=4 2683 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,1,0,0,0,0|3,0,0]=4 2684 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,1,0,0,0,0|3,0,0]=4 2685 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,1,0,0,0,0|3,0,0]=4 2686 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,1,0,0,0,0|3,0,0]=4 2687 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,1,0,0,0,0|2,0,0]=3 2688 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,1,0,0,0,0|2,0,0]=3 2689 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,1,0,0,0,0|2,0,0]=3 2690 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,1,0,0,0,0|2,0,0]=3 2691 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,1,0,0,0,0|2,0,0]=3 2692 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,1,0,0,0,0|2,0,0]=3 2693 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,1,0,0,0,0|2,0,0]=3 2694 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,1,0,0,0,0|2,0,1]=4 2695 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,1,0,0,0,0|2,0,0]=3 2696 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,1,0,0,0,0|2,0,0]=3 2697 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,1,0,0,0,0|3,0,0]=4 2698 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,1,0,0,0,0|3,0,0]=4 2699 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,1,0,0,0,0|3,0,0]=4 2700 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,1,0,0,0,0|3,0,0]=4 2701 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,1,0,0,0,0|3,0,0]=4 2702 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,1,0,0,0,0|3,0,0]=4 2703 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,1,0,0,0,0|3,0,0]=4 2704 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,1,0,0,0,0|3,0,0]=4 2705 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,1,0,0,0,0|3,0,0]=4 2706 B9R0.5 COCC(=O)CC#CCO 1458a_100000210968_200000047223 [0,1,0,0,0,0|1,0,2]=4 2707 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,1,0,0,0,0|1,0,1]=3 2708 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|1,0,0]=2 2709 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|1,0,0]=2 2710 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 2711 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 2712 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 2713 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 2714 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 2715 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 2716 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 2717 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 2718 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,1,0,0,0,0|2,0,0]=3 2719 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,1,0,0,0,0|2,0,0]=3 2720 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 2721 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 2722 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 2723 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 2724 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,1,0,0,0,0|3,0,0]=4 2725 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,1,0,0,0,0|1,0,2]=4 2726 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,1,0,0,0,0|1,0,2]=4 2727 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,0,0,0,0|1,0,2]=4 2728 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,0,0,0,0|1,0,2]=4 2729 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,0,0,0,0|1,0,2]=4 2730 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,1,0,0,0,0|1,0,1]=3 2731 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,1,0,0,0,0|1,0,1]=3 2732 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|1,0,0]=2 2733 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|1,0,0]=2 2734 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|1,0,0]=2 2735 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|1,0,0]=2 2736 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|1,0,0]=2 2737 B9R0.5 COCCCN(C)CCF 2230a_100000224831_100011217306 [0,1,0,0,0,0|3,0,0]=4 2738 B9R0.5 COCCCN(C)CCF 269982a_100000224831_100011217306 [0,1,0,0,0,0|3,0,0]=4 2739 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [0,1,0,0,0,0|3,0,0]=4 2740 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [0,1,0,0,0,0|3,0,0]=4 2741 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [0,1,0,0,0,0|3,0,0]=4 2742 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [0,1,0,0,0,0|3,0,0]=4 2743 B9R0.5 COCCCN(C)COC 2230a_100000224831_100000766300 [0,1,0,0,0,0|3,0,0]=4 2744 B9R0.5 COCCCN(C)COC 269982a_100000224831_100000766300 [0,1,0,0,0,0|3,0,0]=4 2745 B9R0.5 COCCCN(C)CSC 2230a_100000224831_100011218213 [0,1,0,0,0,0|3,0,0]=4 2746 B9R0.5 COCCCN(C)CSC 269982a_100000224831_100011218213 [0,1,0,0,0,0|3,0,0]=4 2747 B9R0.5 COCCNC(=O)CC#N 1626a_100000209980_100051588842 [0,1,0,0,0,0|2,0,1]=4 2748 B9R0.5 COCCNC(=O)CC#N 240690a_100000209980_100051588842 [0,1,0,0,0,0|2,0,1]=4 2749 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,1,0,0,0,0|2,0,0]=3 2750 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,1,0,0,0,0|2,0,0]=3 2751 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2752 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2753 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,1,0,0,0,0|2,0,0]=3 2754 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2755 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,1,0,0,0,0|2,0,0]=3 2756 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,1,0,0,0,0|2,0,0]=3 2757 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,1,0,0,0,0|2,0,0]=3 2758 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,1,0,0,0,0|2,0,0]=3 2759 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,1,0,0,0,0|2,0,0]=3 2760 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,1,0,0,0,0|2,0,0]=3 2761 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,1,0,0,0,0|2,0,0]=3 2762 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,1,0,0,0,0|2,0,0]=3 2763 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,1,0,0,0,0|2,0,0]=3 2764 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,1,0,0,0,0|2,0,0]=3 2765 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,1,0,0,0,0|2,0,0]=3 2766 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,1,0,0,0,0|2,0,0]=3 2767 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,1,0,0,0,0|3,0,0]=4 2768 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,1,0,0,0,0|3,0,0]=4 2769 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,1,0,0,0,0|3,0,0]=4 2770 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,1,0,0,0,0|3,0,0]=4 2771 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,1,0,0,0,0|2,0,1]=4 2772 B9R0.5 CSCC(=O)CC#CCO 1458a_100000184570_200000047223 [0,1,0,0,0,0|1,0,2]=4 2773 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,1,0,0,0,0|1,0,1]=3 2774 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|1,0,0]=2 2775 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|1,0,0]=2 2776 B9R0.5 CSCC(=O)NCCC#N 11a_100000720768_100000184570 [0,1,0,0,0,0|2,0,1]=4 2777 B9R0.5 CSCC(=O)NCCC#N 1626a_100000720768_100000184570 [0,1,0,0,0,0|2,0,1]=4 2778 B9R0.5 CSCC(=O)NCCC#N 240690a_100000720768_100000184570 [0,1,0,0,0,0|2,0,1]=4 2779 B9R0.5 CSCC(=O)NCCC#N 527a_100000720768_100000184570 [0,1,0,0,0,0|2,0,1]=4 2780 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,1,0,0,0,0|2,0,0]=3 2781 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,1,0,0,0,0|2,0,0]=3 2782 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,1,0,0,0,0|2,0,0]=3 2783 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,1,0,0,0,0|2,0,0]=3 2784 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,1,0,0,0,0|2,0,0]=3 2785 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,1,0,0,0,0|2,0,0]=3 2786 B9R0.5 CSCC(=O)NNCCO 22a_100000210001_100000184570 [0,1,0,0,0,0|3,0,0]=4 2787 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,1,0,0,0,0|1,0,1]=3 2788 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|1,0,0]=2 2789 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|1,0,0]=2 2790 B9R0.5 CSCCNC(=O)CC#N 1626a_100020590264_100051588842 [0,1,0,0,0,0|2,0,1]=4 2791 B9R0.5 CSCCNC(=O)CC#N 240690a_100020590264_100051588842 [0,1,0,0,0,0|2,0,1]=4 2792 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,1,0,0,0,0|2,0,0]=3 2793 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 2794 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 2795 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 2796 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 2797 B9R0.5 CSCN(C)CCCCO 2230a_100000717598_100011218213 [0,1,0,0,0,0|3,0,0]=4 2798 B9R0.5 CSCN(C)CCCCO 269982a_100000717598_100011218213 [0,1,0,0,0,0|3,0,0]=4 2799 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,1,0,0,0,0|3,0,0]=4 2800 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,1,0,0,0,0|3,0,0]=4 2801 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,1,0,0,0,0|1,0,1]=3 2802 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,1,0,0,0,0|1,0,1]=3 2803 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,1,0,0,0,0|1,0,1]=3 2804 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,1,0,0,0,0|2,0,1]=4 2805 B9R0.5 N#CCC(=O)NCCCF 1626a_100015189416_100051588842 [0,1,0,0,0,0|2,0,1]=4 2806 B9R0.5 N#CCC(=O)NCCCF 240690a_100015189416_100051588842 [0,1,0,0,0,0|2,0,1]=4 2807 B9R0.5 N#CCC(=O)NCCCO 240690a_100000182051_100051588842 [0,1,0,0,0,0|2,0,1]=4 2808 B9R0.5 N#CCCCC(=O)CC#N 1458a_100000075515_100011214920 [0,1,0,0,0,0|1,0,2]=4 2809 B9R0.5 N#CCCCC(=O)CC#N 1458a_100051588842_100000211468 [0,1,0,0,0,0|1,0,2]=4 2810 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,1,0,0,0,0|1,0,1]=3 2811 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,1,0,0,0,0|1,0,1]=3 2812 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,1,0,0,0,0|1,0,1]=3 2813 B9R0.5 N#CCCNC(=O)CCO 240690a_100000720768_100011216618 [0,1,0,0,0,0|2,0,1]=4 2814 B9R0.5 N#CCSCC(=O)CCF 1458a_100000150266_100011217306 [0,1,0,0,0,0|2,0,1]=4 2815 B9R0.5 N#CCSCC(=O)CCO 1458a_100000150266_100000211926 [0,1,0,0,0,0|2,0,1]=4 2816 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,1,0,0,0,0|3,0,0]=4 2817 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,1,0,0,0,0|1,0,2]=4 2818 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,1,0,0,0,0|1,0,2]=4 2819 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,1,0,0,0,0|1,0,2]=4 2820 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,1,0,0,0,0|1,0,2]=4 2821 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,1,0,0,0,0|1,0,2]=4 2822 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,1,0,0,0,0|1,0,2]=4 2823 B9R0.5 O=C(CC#CCO)CCO 1458a_100011216618_200000047223 [0,1,0,0,0,0|1,0,2]=4 2824 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|1,0,0]=2 2825 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,1,0,0,0,0|2,0,0]=3 2826 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|1,0,0]=2 2827 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|1,0,0]=2 2828 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|1,0,0]=2 2829 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,1,0,0,0,0|2,0,0]=3 2830 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,1,0,0,0,0|2,0,0]=3 2831 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,1,0,0,0,0|2,0,0]=3 2832 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,1,0,0,0,0|3,0,0]=4 2833 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,1,0,0,0,0|3,0,0]=4 2834 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,1,0,0,0,0|3,0,0]=4 2835 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,1,0,0,0,0|3,0,0]=4 2836 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,1,0,0,0,0|3,0,0]=4 2837 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,1,0,0,0,0|3,0,0]=4 2838 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,1,0,0,0,0|3,0,0]=4 2839 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,1,0,0,0,0|3,0,0]=4 2840 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,1,0,0,0,0|3,0,0]=4 2841 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,1,0,0,0,0|2,0,1]=4 2842 B9R0.5 [N-]=[N+]=NCCC(=O)CCF 1458a_100000688302_100011217306 [0,1,0,0,0,0|3,0,0]=4 2843 B9R0.5 [N-]=[N+]=NCCC(=O)CCO 1458a_100000688302_100000211926 [0,1,0,0,0,0|3,0,0]=4 2844 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,0,0,0,0|0,0,2]=3 2845 B9R0.8 C#CCSC(C)C(=O)CC 62a_100000038162_100000742827 [0,1,0,0,0,0|1,0,2]=4 2846 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|1,0,2]=4 2847 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,1,0,0,0,0|2,0,1]=4 2848 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|2,0,1]=4 2849 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|2,0,1]=4 2850 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|2,0,1]=4 2851 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|0,0,2]=3 2852 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,0,0,0,0|1,0,2]=4 2853 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,0,0,0,0|1,0,2]=4 2854 B9R0.8 C=CCCN(C)C(=O)CC 11a_100020639649_100000210414 [0,1,0,0,0,0|1,0,2]=4 2855 B9R0.8 C=CCCN(C)C(=O)CC 1626a_100020639649_100000210414 [0,1,0,0,0,0|1,0,2]=4 2856 B9R0.8 C=CCCN(C)C(=O)CC 240690a_100020639649_100000210414 [0,1,0,0,0,0|1,0,2]=4 2857 B9R0.8 C=CCCN(C)C(=O)CC 527a_100020639649_100000210414 [0,1,0,0,0,0|1,0,2]=4 2858 B9R0.8 C=CCNC(C)C(=O)CC 2230a_100020586998_100000742827 [0,1,0,0,0,0|1,0,2]=4 2859 B9R0.8 C=CCSC(C)C(=O)CC 1458a_100000230602_100000210202 [0,1,0,0,0,0|1,0,2]=4 2860 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000210623_100000742827 [0,1,0,0,0,0|1,0,2]=4 2861 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000742827_100000210623 [0,1,0,0,0,0|1,0,2]=4 2862 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,1,0,0,0,0|2,0,0]=3 2863 B9R0.8 CCC(=O)C(C)SCC#N 62a_100000742827_100011215382 [0,1,0,0,0,0|2,0,1]=4 2864 B9R0.8 CCC(=O)C(C)SCC#N 62a_100011215382_100000742827 [0,1,0,0,0,0|2,0,1]=4 2865 B9R0.8 CCC(=O)C(C)SCC=O 62a_100000742827_200015260668 [0,1,0,0,0,0|2,0,1]=4 2866 B9R0.8 CCC(=O)C(C)SCC=O 62a_200015260668_100000742827 [0,1,0,0,0,0|2,0,1]=4 2867 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,1,0,0,0,0|2,0,0]=3 2868 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,1,0,0,0,0|2,0,0]=3 2869 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,1,0,0,0,0|2,0,0]=3 2870 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,1,0,0,0,0|2,0,0]=3 2871 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,1,0,0,0,0|2,0,0]=3 2872 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,1,0,0,0,0|2,0,0]=3 2873 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,1,0,0,0,0|2,0,0]=3 2874 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,1,0,0,0,0|2,0,0]=3 2875 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|1,0,0]=2 2876 B9R0.8 CCC(=O)N(C)CCC#N 11a_100000184479_100000210414 [0,1,0,0,0,0|2,0,1]=4 2877 B9R0.8 CCC(=O)N(C)CCC#N 1626a_100000184479_100000210414 [0,1,0,0,0,0|2,0,1]=4 2878 B9R0.8 CCC(=O)N(C)CCC#N 240690a_100000184479_100000210414 [0,1,0,0,0,0|2,0,1]=4 2879 B9R0.8 CCC(=O)N(C)CCC#N 527a_100000184479_100000210414 [0,1,0,0,0,0|2,0,1]=4 2880 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,1,0,0,0,0|2,0,0]=3 2881 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,1,0,0,0,0|2,0,0]=3 2882 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,1,0,0,0,0|2,0,0]=3 2883 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,1,0,0,0,0|2,0,0]=3 2884 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,1,0,0,0,0|2,0,0]=3 2885 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,1,0,0,0,0|2,0,0]=3 2886 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,0,0,0,0|2,0,0]=3 2887 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,0,0,0,0|2,0,0]=3 2888 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,0,0,0,0|2,0,0]=3 2889 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,0,0,0,0|2,0,0]=3 2890 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,0,0,0,0|0,0,2]=3 2891 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,1,0,0,0,0|1,0,2]=4 2892 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,0,0,0,0|1,0,2]=4 2893 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,0,0,0,0|1,0,2]=4 2894 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,0,0,0,0|1,0,2]=4 2895 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|1,0,1]=3 2896 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|1,0,2]=4 2897 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|1,0,2]=4 2898 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|0,0,3]=4 2899 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|2,0,1]=4 2900 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|2,0,1]=4 2901 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|2,0,1]=4 2902 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|2,0,1]=4 2903 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|0,0,0]=1 2904 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|0,0,0]=1 2905 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|1,0,0]=2 2906 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|1,0,0]=2 2907 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|1,0,0]=2 2908 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 2909 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 2910 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 2911 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,1,0,0,0,0|2,0,0]=3 2912 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,1,0,0,0,0|2,0,0]=3 2913 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|0,0,0]=1 2914 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|1,0,0]=2 2915 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|1,0,0]=2 2916 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|1,0,0]=2 2917 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|1,0,0]=2 2918 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|1,0,0]=2 2919 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|1,0,0]=2 2920 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|1,0,0]=2 2921 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|2,0,0]=3 2922 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|2,0,0]=3 2923 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|2,0,0]=3 2924 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|2,0,0]=3 2925 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,1,0,0,0,0|2,0,1]=4 2926 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,1,0,0,0,0|2,0,1]=4 2927 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,1,0,0,0,0|2,0,1]=4 2928 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,1,0,0,0,0|2,0,1]=4 2929 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,1,0,0,0,0|2,0,1]=4 2930 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,1,0,0,0,0|2,0,1]=4 2931 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,1,0,0,0,0|2,0,1]=4 2932 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,1,0,0,0,0|2,0,1]=4 2933 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|1,0,1]=3 2934 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|2,0,1]=4 2935 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2936 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2937 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2938 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2939 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2940 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2941 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 2942 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 2943 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 2944 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 2945 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,1,0,0,0,0|2,0,1]=4 2946 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,1,0,0,0,0|2,0,1]=4 2947 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,0,0,0,0|2,0,0]=3 2948 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,0,0,0,0|2,0,0]=3 2949 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,0,0,0,0|2,0,0]=3 2950 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,1,0,0,0,0|3,0,0]=4 2951 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|2,0,0]=3 2952 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|2,0,0]=3 2953 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,1,0,0,0,0|2,0,1]=4 2954 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,1,0,0,0,0|2,0,0]=3 2955 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|1,0,0]=2 2956 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|1,0,0]=2 2957 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,0,0,0,0|2,0,0]=3 2958 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,0,0,0,0|2,0,0]=3 2959 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|2,0,0]=3 2960 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|2,0,0]=3 2961 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,0,0,0,0|2,0,0]=3 2962 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,0,0,0,0|2,0,0]=3 2963 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,0,0,0,0|2,0,0]=3 2964 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,0,0,0,0|2,0,0]=3 2965 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,1]=4 2966 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|2,0,0]=3 2967 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|2,0,0]=3 2968 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|2,0,0]=3 2969 B9R0.8 CCOCC(C)N(C)CC 7a_100000732741_100000210202 [0,1,0,0,0,0|3,0,0]=4 2970 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|2,0,0]=3 2971 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,1,0,0,0,0|3,0,0]=4 2972 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|2,0,0]=3 2973 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|2,0,1]=4 2974 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|2,0,1]=4 2975 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|2,0,0]=3 2976 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|2,0,0]=3 2977 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,1,0,0,0,0|3,0,0]=4 2978 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,1,0,0,0,0|3,0,0]=4 2979 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,0,0,0,0|2,0,1]=4 2980 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|2,0,1]=4 2981 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|2,0,1]=4 2982 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|2,0,1]=4 2983 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,1,0,0,0,0|3,0,0]=4 2984 B9R0.8 CNC(=O)C(C)NCCF 34a_100000724931_100000731044 [0,1,0,0,0,0|3,0,0]=4 2985 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,1,0,0,0,0|3,0,0]=4 2986 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,1,0,0,0,0|3,0,0]=4 2987 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,1,0,0,0,0|3,0,0]=4 2988 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,1,0,0,0,0|3,0,0]=4 2989 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [0,1,0,0,0,0|3,0,0]=4 2990 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [0,1,0,0,0,0|3,0,0]=4 2991 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,1,0,0,0,0|3,0,0]=4 2992 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,1,0,0,0,0|3,0,0]=4 2993 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,1,0,0,0,0|3,0,0]=4 2994 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,1,0,0,0,0|3,0,0]=4 2995 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,1,0,0,0,0|3,0,0]=4 2996 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,1,0,0,0,0|3,0,0]=4 2997 B9R0.8 CNC(=O)C(F)NCCF 34a_100000724931_100009813575 [0,1,0,0,0,0|3,0,0]=4 2998 B9R0.8 CNC(=O)C(F)NCCO 2230a_100016997473_100009813575 [0,1,0,0,0,0|3,0,0]=4 2999 B9R0.8 CNC(=O)C(F)NCCO 34a_100016990907_100009813575 [0,1,0,0,0,0|3,0,0]=4 3000 B9R0.8 CNC(=O)C(F)OCCBr 34a_100000211926_100009813575 [0,1,0,0,0,0|3,0,0]=4 3001 B9R0.8 CNC(=O)C(F)OCCN 34a_100000210304_100009813575 [0,1,0,0,0,0|3,0,0]=4 3002 B9R0.8 CNC(=O)C(F)SCCF 62a_100009813575_100011217306 [0,1,0,0,0,0|3,0,0]=4 3003 B9R0.8 CNC(=O)C(F)SCCF 62a_100011217306_100009813575 [0,1,0,0,0,0|3,0,0]=4 3004 B9R0.8 CNC(=O)C(F)SCCO 62a_100000211926_100009813575 [0,1,0,0,0,0|3,0,0]=4 3005 B9R0.8 CNC(=O)C(F)SCCO 62a_100009813575_100000211926 [0,1,0,0,0,0|3,0,0]=4 3006 B9R0.8 CNC(=O)C(F)SCOC 62a_100000766300_100009813575 [0,1,0,0,0,0|3,0,0]=4 3007 B9R0.8 CNC(=O)C(F)SCOC 62a_100009813575_100000766300 [0,1,0,0,0,0|3,0,0]=4 3008 B9R0.8 CNC(=O)C(F)SCSC 62a_100009813575_100011218213 [0,1,0,0,0,0|3,0,0]=4 3009 B9R0.8 CNC(=O)C(F)SCSC 62a_100011218213_100009813575 [0,1,0,0,0,0|3,0,0]=4 3010 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,1,0,0,0,0|2,0,0]=3 3011 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 3012 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 3013 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,1,0,0,0,0|3,0,0]=4 3014 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,1,0,0,0,0|3,0,0]=4 3015 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 3016 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 3017 B9R0.8 CNC(=O)[C@@H](C)NCCF 2230a_100000684985_100011217306 [0,1,0,0,0,0|3,0,0]=4 3018 B9R0.8 CNC(=O)[C@@H](C)NCCF 34a_100000684985_100011217306 [0,1,0,0,0,0|3,0,0]=4 3019 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,1,0,0,0,0|3,0,0]=4 3020 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,1,0,0,0,0|3,0,0]=4 3021 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,1,0,0,0,0|3,0,0]=4 3022 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,1,0,0,0,0|3,0,0]=4 3023 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,1,0,0,0,0|3,0,0]=4 3024 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|2,0,0]=3 3025 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|2,0,0]=3 3026 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|2,0,0]=3 3027 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|2,0,0]=3 3028 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|2,0,0]=3 3029 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|2,0,0]=3 3030 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|2,0,0]=3 3031 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,1,0,0,0,0|3,0,0]=4 3032 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,1,0,0,0,0|3,0,0]=4 3033 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,1,0,0,0,0|3,0,0]=4 3034 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,1,0,0,0,0|3,0,0]=4 3035 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,0,0,0,0|3,0,0]=4 3036 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,0,0,0,0|3,0,0]=4 3037 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,0,0,0,0|3,0,0]=4 3038 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,0,0,0,0|3,0,0]=4 3039 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,0,0,0,0|3,0,0]=4 3040 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,0,0,0,0|3,0,0]=4 3041 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,0,0,0,0|3,0,0]=4 3042 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,1,0,0,0,0|3,0,0]=4 3043 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,0,0,0,0|3,0,0]=4 3044 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,0,0,0,0|3,0,0]=4 3045 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,0,0,0,0|3,0,0]=4 3046 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,0,0,0,0|3,0,0]=4 3047 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,0,0,0,0|3,0,0]=4 3048 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,0,0,0,0|3,0,0]=4 3049 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,1,0,0,0,0|3,0,0]=4 3050 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,1,0,0,0,0|3,0,0]=4 3051 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|2,0,0]=3 3052 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,1,0,0,0,0|3,0,0]=4 3053 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,1,0,0,0,0|3,0,0]=4 3054 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,1,0,0,0,0|3,0,0]=4 3055 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,1,0,0,0,0|3,0,0]=4 3056 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,1,0,0,0,0|2,0,0]=3 3057 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,1,0,0,0,0|3,0,0]=4 3058 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,1,0,0,0,0|3,0,0]=4 3059 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [0,1,0,0,0,0|2,0,0]=3 3060 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [0,1,0,0,0,0|2,0,0]=3 3061 B9R0.20 CCCCNC(C)(C)CC 2230a_100000211385_100000210211 [0,1,0,0,0,0|2,0,1]=4 3062 B9R0.20 CCCCNC(C)(C)CC 7a_106832991798_100000210677 [0,1,0,0,0,0|2,0,1]=4 3063 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [0,1,0,0,0,0|2,0,0]=3 3064 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [0,1,0,0,0,0|2,0,0]=3 3065 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [0,1,0,0,0,0|2,0,0]=3 3066 B9R0.20 CCCCNS(=O)(=O)CCl 270084a_100000102301_100000031410 [0,1,0,0,0,0|3,0,0]=4 3067 B9R0.20 CCCCNS(=O)(=O)CCl 274078a_100000102301_100000031410 [0,1,0,0,0,0|3,0,0]=4 3068 B9R0.20 CCCCOC(C)(C)CC 7a_100000210227_100000210677 [0,1,0,0,0,0|2,0,1]=4 3069 B9R0.20 CCCCOC(C)(C)CC 7a_100000210230_100000210211 [0,1,0,0,0,0|2,0,1]=4 3070 B9R0.20 CCCCSC(C)(C)CC 62a_100000032637_100000210210 [0,1,0,0,0,0|2,0,1]=4 3071 B9R0.20 CCCCSC(C)(C)CC 62a_100000210211_100000032637 [0,1,0,0,0,0|2,0,1]=4 3072 B9R0.20 CCCNNS(=O)(=O)CC 40a_100000740057_100000053943 [0,1,0,0,0,0|3,0,0]=4 3073 B9R0.20 CCCOCC(C)(C)CC 7a_100000765029_100000210303 [0,1,0,0,0,0|2,0,1]=4 3074 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [0,1,0,0,0,0|2,0,0]=3 3075 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [0,1,0,0,0,0|2,0,0]=3 3076 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [0,1,0,0,0,0|2,0,0]=3 3077 B9R0.20 CCNCCS(=O)(=O)NC 2230a_100000710037_100000210202 [0,1,0,0,0,0|3,0,0]=4 3078 B9R0.20 CCNCCS(=O)(=O)NC 34a_100000710037_100000210202 [0,1,0,0,0,0|3,0,0]=4 3079 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [0,1,0,0,0,0|2,0,0]=3 3080 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [0,1,0,0,0,0|2,0,0]=3 3081 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [0,1,0,0,0,0|2,0,0]=3 3082 B9R0.20 CCOCCS(=O)(=O)NC 270084a_100102657272_100000747040 [0,1,0,0,0,0|3,0,0]=4 3083 B9R0.20 CCOCCS(=O)(=O)NC 274078a_100102657272_100000747040 [0,1,0,0,0,0|3,0,0]=4 3084 B9R0.20 CCS(=O)(=O)CCNCF 34a_100000751051_100015361967 [0,1,0,0,0,0|3,0,0]=4 3085 B9R0.20 CCS(=O)(=O)CCOCF 34a_200011216379_100015361967 [0,1,0,0,0,0|3,0,0]=4 3086 B9R0.20 CCS(=O)(=O)CCOCF 7a_200011216379_100015361967 [0,1,0,0,0,0|3,0,0]=4 3087 B9R0.20 CCS(=O)(=O)CCSCF 62a_100000756660_100015361967 [0,1,0,0,0,0|3,0,0]=4 3088 B9R0.20 CCS(=O)(=O)CCSCF 62a_100015361967_100000756660 [0,1,0,0,0,0|3,0,0]=4 3089 B9R0.20 CCS(=O)(=O)NCCCF 270084a_100015189416_100000211323 [0,1,0,0,0,0|3,0,0]=4 3090 B9R0.20 CCS(=O)(=O)NCCCF 274078a_100015189416_100000211323 [0,1,0,0,0,0|3,0,0]=4 3091 B9R0.20 CCS(=O)(=O)NCCCF 40a_100015189416_100000053943 [0,1,0,0,0,0|3,0,0]=4 3092 B9R0.20 CCS(=O)(=O)NCCCO 270084a_100000182051_100000211323 [0,1,0,0,0,0|3,0,0]=4 3093 B9R0.20 CCS(=O)(=O)NCCCO 274078a_100000182051_100000211323 [0,1,0,0,0,0|3,0,0]=4 3094 B9R0.20 CCS(=O)(=O)NCCCO 40a_100000182051_100000053943 [0,1,0,0,0,0|3,0,0]=4 3095 B9R0.20 CCS(=O)(=O)NCCOC 270084a_100000209980_100000211323 [0,1,0,0,0,0|3,0,0]=4 3096 B9R0.20 CCS(=O)(=O)NCCOC 274078a_100000209980_100000211323 [0,1,0,0,0,0|3,0,0]=4 3097 B9R0.20 CCS(=O)(=O)NCCOC 40a_100000209980_100000053943 [0,1,0,0,0,0|3,0,0]=4 3098 B9R0.20 CCS(=O)(=O)NCCSC 270084a_100020590264_100000211323 [0,1,0,0,0,0|3,0,0]=4 3099 B9R0.20 CCS(=O)(=O)NCCSC 274078a_100020590264_100000211323 [0,1,0,0,0,0|3,0,0]=4 3100 B9R0.20 CCS(=O)(=O)NCCSC 40a_100020590264_100000053943 [0,1,0,0,0,0|3,0,0]=4 3101 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [0,1,0,0,0,0|2,0,0]=3 3102 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [0,1,0,0,0,0|2,0,0]=3 3103 B9R0.20 CNS(=O)(=O)CCCCCl 270084a_100102657272_100000021705 [0,1,0,0,0,0|3,0,0]=4 3104 B9R0.24 C#CC(C)OCC(=O)CC 34a_100000725409_200000035995 [0,1,0,0,0,0|1,0,2]=4 3105 B9R0.24 C#CC(C)SCC(=O)CC 62a_200000035995_100000747405 [0,1,0,0,0,0|1,0,2]=4 3106 B9R0.24 C#C[C@@H](C)OCC(=O)CC 7a_100009815206_100000747405 [0,1,0,0,0,0|1,0,2]=4 3107 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,1,0,0,0,0|1,0,2]=4 3108 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,1,0,0,0,0|1,0,2]=4 3109 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,1,0,0,0,0|1,0,2]=4 3110 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [0,1,0,0,0,0|1,0,2]=4 3111 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,1,0,0,0,0|3,0,0]=4 3112 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,1,0,0,0,0|3,0,0]=4 3113 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,0,0,0,0|1,0,1]=3 3114 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|1,0,1]=3 3115 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,0|0,0,0]=1 3116 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,0,0,0,0|1,0,0]=2 3117 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,0,0,0,0|1,0,0]=2 3118 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,1,0,0,0,0|1,0,1]=3 3119 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,0|2,0,1]=4 3120 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,0|1,0,0]=2 3121 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,0|1,0,0]=2 3122 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,1,0,0,0,0|2,0,0]=3 3123 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,1,0,0,0,0|2,0,0]=3 3124 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000703298_100000747405 [0,1,0,0,0,0|2,0,1]=4 3125 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000747405_100000703298 [0,1,0,0,0,0|2,0,1]=4 3126 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,0|1,0,0]=2 3127 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,0|1,0,0]=2 3128 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,1,0,0,0,0|2,0,0]=3 3129 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,1,0,0,0,0|2,0,0]=3 3130 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,1,0,0,0,0|2,0,0]=3 3131 B9R0.24 CCC(=O)CSC(F)C#N 62a_100000747405_200000117898 [0,1,0,0,0,0|2,0,1]=4 3132 B9R0.24 CCC(=O)CSC(F)C#N 62a_200000117898_100000747405 [0,1,0,0,0,0|2,0,1]=4 3133 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,1,0,0,0,0|2,0,0]=3 3134 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,1,0,0,0,0|2,0,0]=3 3135 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,1,0,0,0,0|2,0,1]=4 3136 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,1,0,0,0,0|2,0,1]=4 3137 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,1,0,0,0,0|2,0,1]=4 3138 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,1,0,0,0,0|2,0,1]=4 3139 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,1,0,0,0,0|2,0,1]=4 3140 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,1,0,0,0,0|2,0,1]=4 3141 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,1,0,0,0,0|2,0,1]=4 3142 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,1,0,0,0,0|2,0,1]=4 3143 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,0|2,0,1]=4 3144 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,0|1,0,0]=2 3145 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,0|1,0,0]=2 3146 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,0|1,0,0]=2 3147 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,0|1,0,0]=2 3148 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,1,0,0,0,0|2,0,0]=3 3149 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,1,0,0,0,0|2,0,0]=3 3150 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,0,0,0,0|1,0,0]=2 3151 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,0,0,0,0|1,0,0]=2 3152 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,0,0,0,0|1,0,0]=2 3153 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,1,0,0,0,0|2,0,0]=3 3154 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,1,0,0,0,0|2,0,0]=3 3155 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,1,0,0,0,0|2,0,0]=3 3156 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,1,0,0,0,0|2,0,0]=3 3157 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,1,0,0,0,0|2,0,0]=3 3158 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,1,0,0,0,0|2,0,0]=3 3159 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,1,0,0,0,0|2,0,0]=3 3160 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,1,0,0,0,0|2,0,0]=3 3161 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [0,1,0,0,0,0|2,0,1]=4 3162 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,1,0,0,0,0|2,0,0]=3 3163 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,0|1,0,0]=2 3164 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,0|1,0,0]=2 3165 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,0|1,0,0]=2 3166 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,0|1,0,0]=2 3167 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,0|1,0,0]=2 3168 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,1,0,0,0,0|2,0,1]=4 3169 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,1,0,0,0,0|2,0,1]=4 3170 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,1,0,0,0,0|2,0,0]=3 3171 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,1,0,0,0,0|2,0,0]=3 3172 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,0,0,0,0|2,0,0]=3 3173 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,0,0,0,0|2,0,0]=3 3174 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,0,0,0,0|2,0,0]=3 3175 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,0,0,0,0|2,0,0]=3 3176 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,0,0,0,0|2,0,0]=3 3177 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,0,0,0,0|2,0,0]=3 3178 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [0,1,0,0,0,0|2,0,1]=4 3179 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [0,1,0,0,0,0|2,0,1]=4 3180 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [0,1,0,0,0,0|2,0,1]=4 3181 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,1,0,0,0,0|2,0,1]=4 3182 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,1,0,0,0,0|2,0,1]=4 3183 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,1,0,0,0,0|2,0,1]=4 3184 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,1,0,0,0,0|2,0,0]=3 3185 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,1,0,0,0,0|2,0,0]=3 3186 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,0|2,0,0]=3 3187 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [0,1,0,0,0,0|2,0,1]=4 3188 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,1,0,0,0,0|3,0,0]=4 3189 B9R0.24 CCC(C)NNC(=O)NC 273464a_100102657272_100000718999 [0,1,0,0,0,0|3,0,0]=4 3190 B9R0.24 CCC(C)NNC(=O)NC 512a_100000718999_100102657272 [0,1,0,0,0,0|3,0,0]=4 3191 B9R0.24 CCC(C)NNC(=O)NC 512a_106832991638_100000718999 [0,1,0,0,0,0|3,0,0]=4 3192 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,1,0,0,0,0|2,0,0]=3 3193 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,1,0,0,0,0|2,0,0]=3 3194 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,0|2,0,0]=3 3195 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,1,0,0,0,0|2,0,1]=4 3196 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,1,0,0,0,0|2,0,1]=4 3197 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,1,0,0,0,0|2,0,0]=3 3198 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,1,0,0,0,0|2,0,0]=3 3199 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,0|2,0,0]=3 3200 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,0|2,0,0]=3 3201 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,1,0,0,0,0|2,0,1]=4 3202 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,1,0,0,0,0|2,0,1]=4 3203 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,0|1,0,0]=2 3204 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,0|1,0,0]=2 3205 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,0,0,0,0|2,0,0]=3 3206 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,0,0,0,0|2,0,0]=3 3207 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,0,0,0,0|2,0,0]=3 3208 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,0,0,0,0|2,0,0]=3 3209 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,0,0,0,0|2,0,0]=3 3210 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,0,0,0,0|2,0,0]=3 3211 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,1,0,0,0,0|1,0,2]=4 3212 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,1,0,0,0,0|1,0,2]=4 3213 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,1,0,0,0,0|1,0,2]=4 3214 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,1,0,0,0,0|1,0,2]=4 3215 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,1,0,0,0,0|1,0,2]=4 3216 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,1,0,0,0,0|2,0,0]=3 3217 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,1,0,0,0,0|2,0,0]=3 3218 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,1,0,0,0,0|2,0,0]=3 3219 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,1,0,0,0,0|2,0,0]=3 3220 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,1,0,0,0,0|2,0,0]=3 3221 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,1,0,0,0,0|2,0,0]=3 3222 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,0|2,0,0]=3 3223 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,0|2,0,0]=3 3224 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,0|2,0,0]=3 3225 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,0|2,0,0]=3 3226 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,0|2,0,0]=3 3227 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,0|2,0,0]=3 3228 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,0|2,0,0]=3 3229 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,1,0,0,0,0|2,0,0]=3 3230 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,1,0,0,0,0|2,0,0]=3 3231 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 3232 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 3233 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 3234 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,1,0,0,0,0|2,0,1]=4 3235 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,1,0,0,0,0|2,0,1]=4 3236 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 3237 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 3238 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 3239 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,1,0,0,0,0|2,0,1]=4 3240 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,1,0,0,0,0|2,0,1]=4 3241 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,1,0,0,0,0|2,0,1]=4 3242 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,1,0,0,0,0|2,0,1]=4 3243 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,1,0,0,0,0|3,0,0]=4 3244 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,1,0,0,0,0|3,0,0]=4 3245 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,1,0,0,0,0|3,0,0]=4 3246 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,1,0,0,0,0|3,0,0]=4 3247 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,1,0,0,0,0|3,0,0]=4 3248 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,1,0,0,0,0|3,0,0]=4 3249 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,1,0,0,0,0|3,0,0]=4 3250 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,1,0,0,0,0|3,0,0]=4 3251 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,1,0,0,0,0|3,0,0]=4 3252 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,1,0,0,0,0|3,0,0]=4 3253 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,1,0,0,0,0|3,0,0]=4 3254 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,1,0,0,0,0|3,0,0]=4 3255 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,1,0,0,0,0|3,0,0]=4 3256 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,1,0,0,0,0|3,0,0]=4 3257 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,1,0,0,0,0|3,0,0]=4 3258 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,1,0,0,0,0|3,0,0]=4 3259 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,1,0,0,0,0|3,0,0]=4 3260 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,1,0,0,0,0|3,0,0]=4 3261 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,1,0,0,0,0|3,0,0]=4 3262 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,1,0,0,0,0|3,0,0]=4 3263 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,1,0,0,0,0|3,0,0]=4 3264 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,1,0,0,0,0|3,0,0]=4 3265 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,1,0,0,0,0|3,0,0]=4 3266 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,1,0,0,0,0|3,0,0]=4 3267 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,1,0,0,0,0|3,0,0]=4 3268 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,1,0,0,0,0|3,0,0]=4 3269 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,1,0,0,0,0|3,0,0]=4 3270 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,1,0,0,0,0|3,0,0]=4 3271 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,1,0,0,0,0|3,0,0]=4 3272 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,1,0,0,0,0|3,0,0]=4 3273 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,1,0,0,0,0|3,0,0]=4 3274 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,1,0,0,0,0|2,0,1]=4 3275 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,1,0,0,0,0|3,0,0]=4 3276 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,1,0,0,0,0|3,0,0]=4 3277 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,1,0,0,0,0|3,0,0]=4 3278 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,1,0,0,0,0|3,0,0]=4 3279 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,0|3,0,0]=4 3280 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,1,0,0,0,0|3,0,0]=4 3281 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,1,0,0,0,0|3,0,0]=4 3282 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,1,0,0,0,0|3,0,0]=4 3283 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,1,0,0,0,0|3,0,0]=4 3284 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,1,0,0,0,0|3,0,0]=4 3285 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,1,0,0,0,0|3,0,0]=4 3286 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,1,0,0,0,0|3,0,0]=4 3287 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,1,0,0,0,0|3,0,0]=4 3288 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,1,0,0,0,0|3,0,0]=4 3289 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,1,0,0,0,0|3,0,0]=4 3290 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,1,0,0,0,0|3,0,0]=4 3291 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,1,0,0,0,0|0,0,3]=4 3292 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,1,0,0,0,0|0,0,2]=3 3293 B9R0.34 C#CCC(=O)CC(=O)CC 1458a_100011220946_100000747405 [0,1,0,0,0,0|0,0,3]=4 3294 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,0|0,0,1]=2 3295 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,1,0,0,0,0|1,0,1]=3 3296 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,1,0,0,0,0|1,0,1]=3 3297 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,1,0,0,0,0|1,0,1]=3 3298 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,1,0,0,0,0|1,0,1]=3 3299 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,0|0,0,3]=4 3300 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,0,0,0,0|0,0,2]=3 3301 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,1,0,0,0,0|1,0,2]=4 3302 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,1,0,0,0,0|1,0,2]=4 3303 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [0,1,0,0,0,0|0,0,3]=4 3304 B9R0.34 C=CCN(C)CC(=O)CC 269982a_100000225617_100000747405 [0,1,0,0,0,0|1,0,2]=4 3305 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,1,0,0,0,0|0,0,3]=4 3306 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,1,0,0,0,0|0,0,3]=4 3307 B9R0.34 CCC(=O)CC(=O)CC#N 1458a_100051588842_100000747405 [0,1,0,0,0,0|1,0,2]=4 3308 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,1,0,0,0,0|1,0,1]=3 3309 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,0|1,0,1]=3 3310 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,0|1,0,1]=3 3311 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,1,0,0,0,0|2,0,1]=4 3312 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,1,0,0,0,0|2,0,0]=3 3313 B9R0.34 CCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210414 [0,1,0,0,0,0|2,0,1]=4 3314 B9R0.34 CCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210414 [0,1,0,0,0,0|2,0,1]=4 3315 B9R0.34 CCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210414 [0,1,0,0,0,0|2,0,1]=4 3316 B9R0.34 CCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000210414 [0,1,0,0,0,0|2,0,1]=4 3317 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,1,0,0,0,0|2,0,0]=3 3318 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,1,0,0,0,0|2,0,0]=3 3319 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,1,0,0,0,0|2,0,0]=3 3320 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,1,0,0,0,0|2,0,0]=3 3321 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,1,0,0,0,0|2,0,0]=3 3322 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,1,0,0,0,0|2,0,0]=3 3323 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,0|0,0,2]=3 3324 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,1,0,0,0,0|1,0,2]=4 3325 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,0,0,0,0|1,0,2]=4 3326 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,0,0,0,0|1,0,2]=4 3327 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,0,0,0,0|1,0,2]=4 3328 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,0,0,0,0|1,0,2]=4 3329 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|0,0,1]=2 3330 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|0,0,1]=2 3331 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,0|1,0,1]=3 3332 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|1,0,1]=3 3333 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|1,0,1]=3 3334 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|1,0,1]=3 3335 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|1,0,2]=4 3336 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|1,0,2]=4 3337 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|0,0,3]=4 3338 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|0,0,3]=4 3339 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,0|2,0,1]=4 3340 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,0|2,0,1]=4 3341 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,0|2,0,1]=4 3342 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|1,0,2]=4 3343 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,0|0,0,0]=1 3344 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,0|0,0,0]=1 3345 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,0|1,0,0]=2 3346 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,0|1,0,0]=2 3347 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,0|1,0,0]=2 3348 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,0|1,0,0]=2 3349 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,0|1,0,0]=2 3350 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,0|1,0,0]=2 3351 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,1,0,0,0,0|2,0,0]=3 3352 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,1,0,0,0,0|2,0,0]=3 3353 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,0|1,0,0]=2 3354 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,0|1,0,0]=2 3355 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,0|1,0,0]=2 3356 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,0|1,0,0]=2 3357 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,1,0,0,0,0|2,0,0]=3 3358 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,1,0,0,0,0|2,0,0]=3 3359 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,1,0,0,0,0|2,0,0]=3 3360 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,1,0,0,0,0|2,0,0]=3 3361 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,1,0,0,0,0|2,0,0]=3 3362 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,1,0,0,0,0|2,0,0]=3 3363 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,1,0,0,0,0|2,0,0]=3 3364 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,1,0,0,0,0|2,0,1]=4 3365 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,1,0,0,0,0|2,0,1]=4 3366 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,1,0,0,0,0|2,0,1]=4 3367 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,1,0,0,0,0|2,0,1]=4 3368 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,1,0,0,0,0|2,0,1]=4 3369 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,1,0,0,0,0|2,0,1]=4 3370 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,1,0,0,0,0|2,0,1]=4 3371 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,1,0,0,0,0|2,0,1]=4 3372 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,0|1,0,0]=2 3373 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,1,0,0,0,0|2,0,0]=3 3374 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,1,0,0,0,0|2,0,0]=3 3375 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,1,0,0,0,0|2,0,0]=3 3376 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,0|2,0,0]=3 3377 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,0|2,0,0]=3 3378 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,0|2,0,0]=3 3379 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,1,0,0,0,0|2,0,1]=4 3380 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,1,0,0,0,0|2,0,1]=4 3381 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,1,0,0,0,0|2,0,1]=4 3382 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,1,0,0,0,0|2,0,1]=4 3383 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,1,0,0,0,0|2,0,1]=4 3384 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,1,0,0,0,0|1,0,2]=4 3385 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,1,0,0,0,0|1,0,2]=4 3386 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,1,0,0,0,0|2,0,1]=4 3387 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,1,0,0,0,0|2,0,1]=4 3388 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,0|1,0,0]=2 3389 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,1,0,0,0,0|2,0,0]=3 3390 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,1,0,0,0,0|2,0,0]=3 3391 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 3392 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 3393 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 3394 B9R0.34 CCN(C)CC(O)COC 2230a_100000739405_100000210202 [0,1,0,0,0,0|3,0,0]=4 3395 B9R0.34 CCN(C)CC(O)COC 269982a_100000739405_100000204670 [0,1,0,0,0,0|3,0,0]=4 3396 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|1,0,1]=3 3397 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,1,0,0,0,0|2,0,1]=4 3398 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|2,0,1]=4 3399 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,0,0,0,0|2,0,0]=3 3400 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,1,0,0,0,0|2,0,1]=4 3401 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,1,0,0,0,0|2,0,1]=4 3402 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|1,0,1]=3 3403 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|1,0,1]=3 3404 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,0|2,0,1]=4 3405 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,0|2,0,1]=4 3406 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|2,0,1]=4 3407 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,0|2,0,0]=3 3408 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,1,0,0,0,0|1,0,0]=2 3409 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,1,0,0,0,0|2,0,0]=3 3410 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,1,0,0,0,0|2,0,0]=3 3411 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,1,0,0,0,0|2,0,0]=3 3412 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,1,0,0,0,0|2,0,0]=3 3413 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,1,0,0,0,0|2,0,0]=3 3414 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,0,0,0,0|2,0,0]=3 3415 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,0,0,0,0|2,0,0]=3 3416 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,1,0,0,0,0|2,0,1]=4 3417 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,1,0,0,0,0|2,0,1]=4 3418 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,1,0,0,0,0|2,0,1]=4 3419 B9R0.34 CNC(=O)CN(C)CCF 2230a_100000189611_100011217306 [0,1,0,0,0,0|3,0,0]=4 3420 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000189611_100000211926 [0,1,0,0,0,0|3,0,0]=4 3421 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000210263_100000183359 [0,1,0,0,0,0|3,0,0]=4 3422 B9R0.34 CNC(=O)CN(C)CCO 269982a_100000210263_100000183359 [0,1,0,0,0,0|3,0,0]=4 3423 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,1,0,0,0,0|3,0,0]=4 3424 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,1,0,0,0,0|3,0,0]=4 3425 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,1,0,0,0,0|3,0,0]=4 3426 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,1,0,0,0,0|3,0,0]=4 3427 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,1,0,0,0,0|3,0,0]=4 3428 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,1,0,0,0,0|3,0,0]=4 3429 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,1,0,0,0,0|3,0,0]=4 3430 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,1,0,0,0,0|3,0,0]=4 3431 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,1,0,0,0,0|3,0,0]=4 3432 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,1,0,0,0,0|3,0,0]=4 3433 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,1,0,0,0,0|3,0,0]=4 3434 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,1,0,0,0,0|3,0,0]=4 3435 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,1,0,0,0,0|2,0,0]=3 3436 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,1,0,0,0,0|2,0,0]=3 3437 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,1,0,0,0,0|2,0,1]=4 3438 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,1,0,0,0,0|2,0,1]=4 3439 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,1,0,0,0,0|2,0,1]=4 3440 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,1,0,0,0,0|2,0,1]=4 3441 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,1,0,0,0,0|2,0,1]=4 3442 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,1,0,0,0,0|2,0,1]=4 3443 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,1,0,0,0,0|2,0,1]=4 3444 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,1,0,0,0,0|2,0,1]=4 3445 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,1,0,0,0,0|3,0,0]=4 3446 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,1,0,0,0,0|3,0,0]=4 3447 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,1,0,0,0,0|3,0,0]=4 3448 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,1,0,0,0,0|3,0,0]=4 3449 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,1,0,0,0,0|3,0,0]=4 3450 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,1,0,0,0,0|3,0,0]=4 3451 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,1,0,0,0,0|3,0,0]=4 3452 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,1,0,0,0,0|2,0,0]=3 3453 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,1,0,0,0,0|2,0,0]=3 3454 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,1,0,0,0,0|2,0,0]=3 3455 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,1,0,0,0,0|2,0,0]=3 3456 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,1,0,0,0,0|2,0,1]=4 3457 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,1,0,0,0,0|3,0,0]=4 3458 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,1,0,0,0,0|3,0,0]=4 3459 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,1,0,0,0,0|3,0,0]=4 3460 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,1,0,0,0,0|2,0,0]=3 3461 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,1,0,0,0,0|3,0,0]=4 3462 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,1,0,0,0,0|3,0,0]=4 3463 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,1,0,0,0,0|0,0,3]=4 3464 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,1,0,0,0,0|0,0,3]=4 3465 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,1,0,0,0,0|0,0,3]=4 3466 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|0,0,2]=3 3467 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,1,0,0,0,0|0,0,2]=3 3468 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,0,0,0,0|0,0,2]=3 3469 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,0,0,0,0|0,0,2]=3 3470 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,1,0,0,0,0|0,0,2]=3 3471 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,0,0,0,0|0,0,2]=3 3472 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,1,0,0,0,0|1,0,2]=4 3473 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,0,0,0,0|0,0,2]=3 3474 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,1,0,0,0,0|0,0,3]=4 3475 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,1,0,0,0,0|0,0,3]=4 3476 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|0,0,1]=2 3477 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|0,0,1]=2 3478 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,1,0,0,0,0|1,0,1]=3 3479 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|1,0,1]=3 3480 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|1,0,1]=3 3481 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|1,0,1]=3 3482 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|1,0,1]=3 3483 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|1,0,1]=3 3484 B9R0.46 C#CCCCCN(C)CC 2230a_100000225621_100010269958 [0,1,0,0,0,0|2,0,1]=4 3485 B9R0.46 C#CCCCCN(C)CC 269982a_100000225621_100010269958 [0,1,0,0,0,0|2,0,1]=4 3486 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,1,0,0,0,0|0,0,2]=3 3487 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,1,0,0,0,0|0,0,2]=3 3488 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,1,0,0,0,0|0,0,2]=3 3489 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,1,0,0,0,0|0,0,2]=3 3490 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 3491 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 3492 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,1,0,0,0,0|1,0,2]=4 3493 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,1,0,0,0,0|1,0,2]=4 3494 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,1,0,0,0,0|1,0,2]=4 3495 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,1,0,0,0,0|1,0,2]=4 3496 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,1,0,0,0,0|1,0,2]=4 3497 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,1,0,0,0,0|1,0,2]=4 3498 B9R0.46 C#CCCNCC(=O)NC 2230a_100000693194_100000688953 [0,1,0,0,0,0|1,0,2]=4 3499 B9R0.46 C#CCCNCC(=O)NC 34a_100000755551_100000183359 [0,1,0,0,0,0|1,0,2]=4 3500 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,1,0,0,0,0|1,0,2]=4 3501 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,1,0,0,0,0|0,0,2]=3 3502 B9R0.46 C#CCCOCC(=O)NC 34a_100000750040_100000688953 [0,1,0,0,0,0|1,0,2]=4 3503 B9R0.46 C#CCCOCC(=O)NC 34a_100011215631_100000183359 [0,1,0,0,0,0|1,0,2]=4 3504 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,1,0,0,0,0|1,0,2]=4 3505 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,1,0,0,0,0|0,0,2]=3 3506 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,1,0,0,0,0|0,0,2]=3 3507 B9R0.46 C#CCCSCC(=O)NC 62a_100000183359_100000688953 [0,1,0,0,0,0|1,0,2]=4 3508 B9R0.46 C#CCCSCC(=O)NC 62a_100000688953_100000183359 [0,1,0,0,0,0|1,0,2]=4 3509 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,1,0,0,0,0|1,0,2]=4 3510 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,1,0,0,0,0|1,0,2]=4 3511 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,1,0,0,0,0|1,0,2]=4 3512 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,1,0,0,0,0|1,0,2]=4 3513 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,1,0,0,0,0|1,0,2]=4 3514 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,1,0,0,0,0|1,0,2]=4 3515 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,1,0,0,0,0|0,0,2]=3 3516 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,1,0,0,0,0|0,0,2]=3 3517 B9R0.46 C#CCOCCC(=O)CF 1458a_100000693358_100015361967 [0,1,0,0,0,0|1,0,2]=4 3518 B9R0.46 C#CCOCCC(=O)CO 1458a_100000210174_100010402529 [0,1,0,0,0,0|1,0,2]=4 3519 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,1,0,0,0,0|1,0,2]=4 3520 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 3521 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 3522 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,1,0,0,0,0|1,0,2]=4 3523 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,1,0,0,0,0|1,0,2]=4 3524 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 3525 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,1,0,0,0,0|1,0,2]=4 3526 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,1,0,0,0,0|1,0,2]=4 3527 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,1,0,0,0,0|1,0,2]=4 3528 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,1,0,0,0,0|0,0,2]=3 3529 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,1,0,0,0,0|1,0,2]=4 3530 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,1,0,0,0,0|1,0,2]=4 3531 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,1,0,0,0,0|1,0,2]=4 3532 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,1,0,0,0,0|0,0,2]=3 3533 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,1,0,0,0,0|0,0,2]=3 3534 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,1,0,0,0,0|1,0,2]=4 3535 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,1,0,0,0,0|1,0,2]=4 3536 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,1,0,0,0,0|1,0,2]=4 3537 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,1,0,0,0,0|1,0,2]=4 3538 B9R0.46 C=C(C#N)CNCCCC 2230a_100000102301_100000694840 [0,1,0,0,0,0|2,0,1]=4 3539 B9R0.46 C=C(C#N)COCCCC 34a_100000210227_100000694840 [0,1,0,0,0,0|2,0,1]=4 3540 B9R0.46 C=C(C#N)CSCCCC 62a_100000210211_100000694840 [0,1,0,0,0,0|2,0,1]=4 3541 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,1,0,0,0,0|0,0,3]=4 3542 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,1,0,0,0,0|0,0,3]=4 3543 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|0,0,2]=3 3544 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|0,0,2]=3 3545 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|0,0,2]=3 3546 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|0,0,2]=3 3547 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|0,0,2]=3 3548 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|0,0,2]=3 3549 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,1,0,0,0,0|1,0,2]=4 3550 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|0,0,2]=3 3551 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|0,0,2]=3 3552 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|0,0,2]=3 3553 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,1,0,0,0,0|1,0,2]=4 3554 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,1,0,0,0,0|1,0,2]=4 3555 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,1,0,0,0,0|1,0,2]=4 3556 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,1,0,0,0,0|1,0,2]=4 3557 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,1,0,0,0,0|1,0,2]=4 3558 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,1,0,0,0,0|1,0,2]=4 3559 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,1,0,0,0,0|1,0,2]=4 3560 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,1,0,0,0,0|1,0,2]=4 3561 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,1,0,0,0,0|1,0,2]=4 3562 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,1,0,0,0,0|1,0,2]=4 3563 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,1,0,0,0,0|1,0,2]=4 3564 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,1,0,0,0,0|1,0,2]=4 3565 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,0,0,0,0|1,0,2]=4 3566 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,0,0,0,0|1,0,2]=4 3567 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,0,0,0,0|1,0,2]=4 3568 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,0,0,0,0|1,0,2]=4 3569 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,0,0,0,0|0,0,3]=4 3570 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|0,0,1]=2 3571 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|0,0,1]=2 3572 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|1,0,1]=3 3573 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|1,0,1]=3 3574 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|1,0,1]=3 3575 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|1,0,1]=3 3576 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|1,0,1]=3 3577 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|1,0,1]=3 3578 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,1,0,0,0,0|2,0,1]=4 3579 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,1,0,0,0,0|2,0,1]=4 3580 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,1,0,0,0,0|2,0,1]=4 3581 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,1,0,0,0,0|2,0,1]=4 3582 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,0,0,0,0|0,0,2]=3 3583 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,0,0,0,0|0,0,2]=3 3584 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,0,0,0,0|0,0,2]=3 3585 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,0,0,0,0|0,0,2]=3 3586 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,1,0,0,0,0|1,0,2]=4 3587 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,1,0,0,0,0|1,0,2]=4 3588 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,1,0,0,0,0|1,0,2]=4 3589 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,1,0,0,0,0|1,0,2]=4 3590 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,1,0,0,0,0|1,0,2]=4 3591 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,1,0,0,0,0|1,0,2]=4 3592 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,1,0,0,0,0|1,0,2]=4 3593 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,1,0,0,0,0|1,0,2]=4 3594 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,1,0,0,0,0|1,0,2]=4 3595 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,1,0,0,0,0|1,0,2]=4 3596 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,0,0,0,0|1,0,2]=4 3597 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,1,0,0,0,0|0,0,2]=3 3598 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,1,0,0,0,0|1,0,2]=4 3599 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,1,0,0,0,0|1,0,2]=4 3600 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|1,0,2]=4 3601 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,1,0,0,0,0|0,0,2]=3 3602 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,1,0,0,0,0|0,0,2]=3 3603 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,1,0,0,0,0|1,0,2]=4 3604 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,1,0,0,0,0|1,0,2]=4 3605 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,0,0,0,0|1,0,2]=4 3606 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,0,0,0,0|1,0,2]=4 3607 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,1,0,0,0,0|1,0,2]=4 3608 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,1,0,0,0,0|1,0,2]=4 3609 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,1,0,0,0,0|1,0,2]=4 3610 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,0,0,0,0|1,0,2]=4 3611 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,1,0,0,0,0|0,0,2]=3 3612 B9R0.46 C=CCOCCC(=O)CF 1458a_200011217002_100015361967 [0,1,0,0,0,0|1,0,2]=4 3613 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,1,0,0,0,0|1,0,2]=4 3614 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 3615 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 3616 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,1,0,0,0,0|1,0,2]=4 3617 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,1,0,0,0,0|1,0,2]=4 3618 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 3619 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,0,0,0,0|1,0,2]=4 3620 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,1,0,0,0,0|1,0,2]=4 3621 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,1,0,0,0,0|1,0,2]=4 3622 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,1,0,0,0,0|1,0,2]=4 3623 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,1,0,0,0,0|1,0,2]=4 3624 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,1,0,0,0,0|1,0,2]=4 3625 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,1,0,0,0,0|1,0,2]=4 3626 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,1,0,0,0,0|1,0,2]=4 3627 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,1,0,0,0,0|1,0,2]=4 3628 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,1,0,0,0,0|1,0,2]=4 3629 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,1,0,0,0,0|0,0,2]=3 3630 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,1,0,0,0,0|1,0,2]=4 3631 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,1,0,0,0,0|1,0,2]=4 3632 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,1,0,0,0,0|1,0,2]=4 3633 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,1,0,0,0,0|0,0,2]=3 3634 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,1,0,0,0,0|0,0,2]=3 3635 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,1,0,0,0,0|1,0,2]=4 3636 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,1,0,0,0,0|1,0,2]=4 3637 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,1,0,0,0,0|1,0,2]=4 3638 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,1,0,0,0,0|1,0,2]=4 3639 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|0,0,1]=2 3640 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,0,0,0,0|1,0,1]=3 3641 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [0,1,0,0,0,0|2,0,1]=4 3642 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [0,1,0,0,0,0|2,0,1]=4 3643 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,1,0,0,0,0|1,0,2]=4 3644 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,1,0,0,0,0|0,0,2]=3 3645 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,1,0,0,0,0|1,0,2]=4 3646 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,1,0,0,0,0|0,0,2]=3 3647 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,1,0,0,0,0|0,0,2]=3 3648 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,1,0,0,0,0|1,0,2]=4 3649 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,1,0,0,0,0|1,0,2]=4 3650 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,1,0,0,0,0|1,0,2]=4 3651 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,1,0,0,0,0|1,0,2]=4 3652 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|0,0,1]=2 3653 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|0,0,0]=1 3654 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|0,0,0]=1 3655 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|0,0,0]=1 3656 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|0,0,0]=1 3657 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,1,0,0,0,0|2,0,0]=3 3658 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,1,0,0,0,0|1,0,1]=3 3659 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|1,0,0]=2 3660 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|1,0,0]=2 3661 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|1,0,0]=2 3662 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|1,0,0]=2 3663 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|1,0,0]=2 3664 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|1,0,0]=2 3665 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|1,0,0]=2 3666 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|1,0,0]=2 3667 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,1,0,0,0,0|1,0,1]=3 3668 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,1,0,0,0,0|1,0,1]=3 3669 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|1,0,0]=2 3670 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|1,0,0]=2 3671 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|1,0,0]=2 3672 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|1,0,0]=2 3673 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|1,0,0]=2 3674 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|1,0,0]=2 3675 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|1,0,0]=2 3676 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|1,0,0]=2 3677 B9R0.46 CCC(=O)CSCSC#N 62a_100000211825_100000747405 [0,1,0,0,0,0|2,0,1]=4 3678 B9R0.46 CCC(=O)CSCSC#N 62a_100000747405_100000211825 [0,1,0,0,0,0|2,0,1]=4 3679 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|1,0,0]=2 3680 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|1,0,0]=2 3681 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|1,0,0]=2 3682 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|1,0,0]=2 3683 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|1,0,0]=2 3684 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 3685 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 3686 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 3687 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 3688 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,1,0,0,0,0|2,0,0]=3 3689 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,1,0,0,0,0|2,0,0]=3 3690 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,1,0,0,0,0|2,0,0]=3 3691 B9R0.46 CCC(=O)NNCCC#N 22a_100000229987_100000210414 [0,1,0,0,0,0|2,0,1]=4 3692 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,0,0,0,0|2,0,0]=3 3693 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,1,0,0,0,0|2,0,0]=3 3694 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,1,0,0,0,0|2,0,1]=4 3695 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,1,0,0,0,0|2,0,1]=4 3696 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,1,0,0,0,0|2,0,1]=4 3697 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,1,0,0,0,0|2,0,1]=4 3698 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,1,0,0,0,0|2,0,1]=4 3699 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,1,0,0,0,0|2,0,1]=4 3700 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,1,0,0,0,0|2,0,1]=4 3701 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,1,0,0,0,0|2,0,1]=4 3702 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,1,0,0,0,0|2,0,1]=4 3703 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,1,0,0,0,0|2,0,1]=4 3704 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,1,0,0,0,0|2,0,1]=4 3705 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,1,0,0,0,0|2,0,1]=4 3706 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,1,0,0,0,0|2,0,1]=4 3707 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,1,0,0,0,0|2,0,1]=4 3708 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,1,0,0,0,0|2,0,1]=4 3709 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,1,0,0,0,0|2,0,1]=4 3710 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,1,0,0,0,0|2,0,1]=4 3711 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,1,0,0,0,0|2,0,1]=4 3712 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,1,0,0,0,0|2,0,1]=4 3713 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,1,0,0,0,0|2,0,1]=4 3714 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,1,0,0,0,0|2,0,1]=4 3715 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,1,0,0,0,0|2,0,1]=4 3716 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,1,0,0,0,0|2,0,1]=4 3717 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,1,0,0,0,0|2,0,1]=4 3718 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,1,0,0,0,0|2,0,1]=4 3719 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,1,0,0,0,0|2,0,1]=4 3720 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,1,0,0,0,0|2,0,1]=4 3721 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,1,0,0,0,0|2,0,1]=4 3722 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,1,0,0,0,0|2,0,1]=4 3723 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,1,0,0,0,0|2,0,1]=4 3724 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,1,0,0,0,0|2,0,1]=4 3725 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,1,0,0,0,0|2,0,1]=4 3726 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,1,0,0,0,0|2,0,1]=4 3727 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,1,0,0,0,0|2,0,1]=4 3728 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,1,0,0,0,0|2,0,1]=4 3729 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,1,0,0,0,0|2,0,1]=4 3730 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,1,0,0,0,0|2,0,1]=4 3731 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,1,0,0,0,0|2,0,1]=4 3732 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,1,0,0,0,0|2,0,1]=4 3733 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,1,0,0,0,0|2,0,1]=4 3734 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,1,0,0,0,0|2,0,1]=4 3735 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,1,0,0,0,0|2,0,1]=4 3736 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,1,0,0,0,0|2,0,1]=4 3737 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,1,0,0,0,0|2,0,1]=4 3738 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,1,0,0,0,0|2,0,1]=4 3739 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,1,0,0,0,0|2,0,1]=4 3740 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,1,0,0,0,0|2,0,1]=4 3741 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,1,0,0,0,0|2,0,1]=4 3742 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,1,0,0,0,0|2,0,1]=4 3743 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,1,0,0,0,0|2,0,1]=4 3744 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,1,0,0,0,0|2,0,1]=4 3745 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,0,0,0,0|2,0,1]=4 3746 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,0,0,0,0|2,0,1]=4 3747 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,1,0,0,0,0|2,0,1]=4 3748 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,1,0,0,0,0|2,0,1]=4 3749 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,1,0,0,0,0|2,0,1]=4 3750 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,1,0,0,0,0|2,0,1]=4 3751 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,1,0,0,0,0|2,0,1]=4 3752 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,1,0,0,0,0|2,0,1]=4 3753 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,1,0,0,0,0|2,0,1]=4 3754 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,1,0,0,0,0|2,0,1]=4 3755 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,1,0,0,0,0|1,0,2]=4 3756 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,1,0,0,0,0|1,0,2]=4 3757 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,1,0,0,0,0|1,0,2]=4 3758 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,0,0,0,0|1,0,2]=4 3759 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,1,0,0,0,0|1,0,2]=4 3760 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,1,0,0,0,0|1,0,2]=4 3761 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,0,0,0,0|1,0,2]=4 3762 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,0,0,0,0|1,0,2]=4 3763 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,1,0,0,0,0|1,0,2]=4 3764 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,1,0,0,0,0|1,0,2]=4 3765 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,1,0,0,0,0|1,0,2]=4 3766 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,0,0,0,0|1,0,2]=4 3767 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,0,0,0,0|1,0,2]=4 3768 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,0,0,0,0|1,0,2]=4 3769 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,0,0,0,0|1,0,2]=4 3770 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,1,0,0,0,0|1,0,2]=4 3771 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,1,0,0,0,0|1,0,2]=4 3772 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,0,0,0,0|1,0,2]=4 3773 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,0,0,0,0|1,0,2]=4 3774 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,1,0,0,0,0|1,0,2]=4 3775 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,1,0,0,0,0|1,0,2]=4 3776 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,1,0,0,0,0|1,0,2]=4 3777 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,1,0,0,0,0|1,0,2]=4 3778 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|0,0,1]=2 3779 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,1,0,0,0,0|1,0,1]=3 3780 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,0,0,0,0|1,0,1]=3 3781 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,0,0,0,0|1,0,1]=3 3782 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,0,0,0,0|1,0,1]=3 3783 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,0,0,0,0|1,0,1]=3 3784 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,1,0,0,0,0|1,0,1]=3 3785 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|0,0,1]=2 3786 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|1,0,1]=3 3787 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|1,0,1]=3 3788 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|1,0,1]=3 3789 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|1,0,1]=3 3790 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|0,0,0]=1 3791 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|0,0,0]=1 3792 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|1,0,0]=2 3793 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|1,0,0]=2 3794 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|1,0,0]=2 3795 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 3796 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 3797 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 3798 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|2,0,1]=4 3799 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|2,0,1]=4 3800 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|2,0,1]=4 3801 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|2,0,1]=4 3802 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|2,0,1]=4 3803 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|2,0,1]=4 3804 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|2,0,1]=4 3805 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|2,0,1]=4 3806 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|2,0,1]=4 3807 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|2,0,1]=4 3808 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|2,0,1]=4 3809 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|2,0,1]=4 3810 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|2,0,1]=4 3811 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|2,0,1]=4 3812 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|2,0,1]=4 3813 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|2,0,1]=4 3814 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|2,0,1]=4 3815 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|2,0,0]=3 3816 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|2,0,0]=3 3817 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|2,0,0]=3 3818 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|2,0,0]=3 3819 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|3,0,0]=4 3820 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|0,0,0]=1 3821 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|0,0,0]=1 3822 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|0,0,0]=1 3823 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|0,0,0]=1 3824 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,0]=2 3825 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,0]=2 3826 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,0]=2 3827 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,0]=2 3828 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,0]=2 3829 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,0]=2 3830 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,0]=2 3831 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,0]=2 3832 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|1,0,1]=3 3833 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|1,0,1]=3 3834 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|2,0,1]=4 3835 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|2,0,1]=4 3836 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|1,0,1]=3 3837 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|1,0,1]=3 3838 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|1,0,1]=3 3839 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,1]=4 3840 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,1]=4 3841 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,1]=4 3842 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|2,0,1]=4 3843 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|2,0,1]=4 3844 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|1,0,1]=3 3845 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|1,0,1]=3 3846 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|2,0,1]=4 3847 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|2,0,1]=4 3848 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|2,0,1]=4 3849 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|2,0,1]=4 3850 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|2,0,1]=4 3851 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|0,0,0]=1 3852 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|1,0,0]=2 3853 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|1,0,0]=2 3854 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|1,0,0]=2 3855 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|1,0,0]=2 3856 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|1,0,0]=2 3857 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|1,0,1]=3 3858 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|1,0,1]=3 3859 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|1,0,1]=3 3860 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|1,0,1]=3 3861 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,1]=4 3862 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|0,0,2]=3 3863 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|0,0,2]=3 3864 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|0,0,2]=3 3865 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,2]=4 3866 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,2]=4 3867 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|1,0,1]=3 3868 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|1,0,1]=3 3869 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|2,0,1]=4 3870 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|2,0,1]=4 3871 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|2,0,1]=4 3872 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,1]=4 3873 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,0,0,0,0|1,0,2]=4 3874 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,0,0,0,0|1,0,2]=4 3875 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,2]=4 3876 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,2]=4 3877 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,2]=4 3878 B9R0.46 CCCCNN=C(C)CF 4a_100025702795_100000039719 [0,1,0,0,0,0|3,0,0]=4 3879 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,1,0,0,0,0|3,0,0]=4 3880 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|1,0,0]=2 3881 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|2,0,0]=3 3882 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|2,0,0]=3 3883 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|2,0,0]=3 3884 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|2,0,0]=3 3885 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|0,0,0]=1 3886 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|0,0,0]=1 3887 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|0,0,0]=1 3888 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|0,0,0]=1 3889 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|1,0,0]=2 3890 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,0]=2 3891 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|1,0,0]=2 3892 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 3893 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 3894 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|1,0,0]=2 3895 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|1,0,0]=2 3896 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 3897 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|1,0,0]=2 3898 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,0]=2 3899 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,0]=2 3900 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|1,0,1]=3 3901 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|1,0,1]=3 3902 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,1]=4 3903 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|2,0,1]=4 3904 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|2,0,1]=4 3905 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|2,0,1]=4 3906 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|2,0,1]=4 3907 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|2,0,1]=4 3908 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,1,0,0,0,0|2,0,1]=4 3909 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|0,0,2]=3 3910 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|0,0,2]=3 3911 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 3912 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 3913 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,1,0,0,0,0|2,0,0]=3 3914 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,1,0,0,0,0|2,0,0]=3 3915 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|1,0,1]=3 3916 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|1,0,1]=3 3917 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|1,0,1]=3 3918 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|2,0,1]=4 3919 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|2,0,1]=4 3920 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|1,0,2]=4 3921 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|1,0,2]=4 3922 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 3923 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 3924 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,1]=4 3925 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|0,0,0]=1 3926 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|0,0,0]=1 3927 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|0,0,0]=1 3928 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|1,0,0]=2 3929 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|1,0,0]=2 3930 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 3931 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 3932 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 3933 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|1,0,0]=2 3934 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|1,0,0]=2 3935 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,0,0]=2 3936 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,0,0]=2 3937 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|1,0,1]=3 3938 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|1,0,1]=3 3939 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|0,0,2]=3 3940 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|0,0,2]=3 3941 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,2]=4 3942 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,2]=4 3943 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|1,0,1]=3 3944 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|1,0,1]=3 3945 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|2,0,1]=4 3946 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|2,0,1]=4 3947 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,1,0,0,0,0|1,0,2]=4 3948 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,1,0,0,0,0|1,0,2]=4 3949 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,2]=4 3950 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,2]=4 3951 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|1,0,0]=2 3952 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|1,0,0]=2 3953 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|1,0,1]=3 3954 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 3955 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 3956 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,0,0,0,0|2,0,1]=4 3957 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|3,0,0]=4 3958 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|0,0,0]=1 3959 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,0]=2 3960 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|1,0,0]=2 3961 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|1,0,0]=2 3962 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|1,0,0]=2 3963 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|1,0,1]=3 3964 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|2,0,1]=4 3965 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,1,0,0,0,0|2,0,0]=3 3966 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,1,0,0,0,0|2,0,0]=3 3967 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|1,0,0]=2 3968 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|1,0,0]=2 3969 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|1,0,0]=2 3970 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|1,0,0]=2 3971 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|2,0,0]=3 3972 B9R0.46 CCN(C)CCCCC#N 2230a_100000225621_100000211819 [0,1,0,0,0,0|2,0,1]=4 3973 B9R0.46 CCN(C)CCCCC#N 269982a_100000225621_100011219923 [0,1,0,0,0,0|2,0,1]=4 3974 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,1,0,0,0,0|2,0,1]=4 3975 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,1,0,0,0,0|2,0,1]=4 3976 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,1,0,0,0,0|2,0,0]=3 3977 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,1,0,0,0,0|2,0,0]=3 3978 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,1,0,0,0,0|2,0,0]=3 3979 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,1,0,0,0,0|2,0,0]=3 3980 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,1,0,0,0,0|2,0,0]=3 3981 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,1,0,0,0,0|2,0,0]=3 3982 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,1,0,0,0,0|2,0,0]=3 3983 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,1,0,0,0,0|2,0,0]=3 3984 B9R0.46 CCN(C)CCCSCF 62a_100015361967_100015186262 [0,1,0,0,0,0|3,0,0]=4 3985 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [0,1,0,0,0,0|3,0,0]=4 3986 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [0,1,0,0,0,0|3,0,0]=4 3987 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [0,1,0,0,0,0|3,0,0]=4 3988 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [0,1,0,0,0,0|3,0,0]=4 3989 B9R0.46 CCN(C)COCCOC 2230a_100000225621_100000231047 [0,1,0,0,0,0|3,0,0]=4 3990 B9R0.46 CCN(C)COCCOC 269982a_100000225621_100000231047 [0,1,0,0,0,0|3,0,0]=4 3991 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,0,0,0,0|1,0,2]=4 3992 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|1,0,0]=2 3993 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|1,0,0]=2 3994 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|1,0,0]=2 3995 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|1,0,0]=2 3996 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,1,0,0,0,0|2,0,0]=3 3997 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|1,0,0]=2 3998 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|2,0,0]=3 3999 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,1,0,0,0,0|2,0,1]=4 4000 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,0,0,0,0|1,0,2]=4 4001 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|0,0,0]=1 4002 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,0]=2 4003 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,0,0]=2 4004 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,1,0,0,0,0|2,0,0]=3 4005 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|1,0,0]=2 4006 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|1,0,1]=3 4007 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,1,0,0,0,0|2,0,0]=3 4008 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,1,0,0,0,0|2,0,0]=3 4009 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,1,0,0,0,0|2,0,1]=4 4010 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|1,0,0]=2 4011 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|1,0,0]=2 4012 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|1,0,0]=2 4013 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|1,0,0]=2 4014 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|1,0,0]=2 4015 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|1,0,0]=2 4016 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|2,0,0]=3 4017 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|2,0,0]=3 4018 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|2,0,0]=3 4019 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|2,0,0]=3 4020 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|2,0,0]=3 4021 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|2,0,0]=3 4022 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|2,0,0]=3 4023 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|2,0,0]=3 4024 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|2,0,0]=3 4025 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,1,0,0,0,0|2,0,1]=4 4026 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,1,0,0,0,0|2,0,1]=4 4027 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,1,0,0,0,0|2,0,1]=4 4028 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|1,0,0]=2 4029 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|2,0,0]=3 4030 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|2,0,0]=3 4031 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,1,0,0,0,0|2,0,1]=4 4032 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,1,0,0,0,0|2,0,1]=4 4033 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,1,0,0,0,0|2,0,1]=4 4034 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,1,0,0,0,0|2,0,1]=4 4035 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,1,0,0,0,0|2,0,1]=4 4036 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|1,0,0]=2 4037 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|1,0,0]=2 4038 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,1,0,0,0,0|2,0,0]=3 4039 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,1,0,0,0,0|2,0,0]=3 4040 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|2,0,0]=3 4041 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|2,0,0]=3 4042 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,1,0,0,0,0|2,0,1]=4 4043 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,1,0,0,0,0|2,0,1]=4 4044 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,1,0,0,0,0|1,0,2]=4 4045 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,1,0,0,0,0|1,0,2]=4 4046 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,1,0,0,0,0|2,0,1]=4 4047 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,1,0,0,0,0|2,0,1]=4 4048 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,0,0,0,0|1,0,2]=4 4049 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,0,0,0,0|1,0,2]=4 4050 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,0]=2 4051 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,0]=2 4052 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|1,0,0]=2 4053 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|1,0,0]=2 4054 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,1,0,0,0,0|2,0,0]=3 4055 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|1,0,0]=2 4056 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|1,0,0]=2 4057 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|1,0,0]=2 4058 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|1,0,0]=2 4059 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|2,0,0]=3 4060 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|2,0,0]=3 4061 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|2,0,0]=3 4062 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|2,0,0]=3 4063 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|2,0,0]=3 4064 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|2,0,0]=3 4065 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|2,0,0]=3 4066 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|2,0,0]=3 4067 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,1,0,0,0,0|2,0,1]=4 4068 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,1,0,0,0,0|2,0,1]=4 4069 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|2,0,0]=3 4070 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|2,0,0]=3 4071 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,1,0,0,0,0|2,0,1]=4 4072 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,1,0,0,0,0|2,0,1]=4 4073 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,1,0,0,0,0|2,0,1]=4 4074 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,1,0,0,0,0|2,0,1]=4 4075 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,1,0,0,0,0|2,0,1]=4 4076 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,1,0,0,0,0|2,0,1]=4 4077 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,1,0,0,0,0|2,0,1]=4 4078 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,1,0,0,0,0|2,0,1]=4 4079 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,1,0,0,0,0|2,0,1]=4 4080 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,1,0,0,0,0|2,0,1]=4 4081 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,1,0,0,0,0|2,0,1]=4 4082 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,1,0,0,0,0|2,0,1]=4 4083 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,1,0,0,0,0|2,0,1]=4 4084 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,1,0,0,0,0|2,0,1]=4 4085 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,1,0,0,0,0|2,0,1]=4 4086 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,1,0,0,0,0|2,0,1]=4 4087 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,1,0,0,0,0|2,0,1]=4 4088 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,1,0,0,0,0|2,0,1]=4 4089 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,1,0,0,0,0|2,0,1]=4 4090 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,1,0,0,0,0|2,0,1]=4 4091 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,1,0,0,0,0|2,0,1]=4 4092 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,1,0,0,0,0|2,0,1]=4 4093 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,1,0,0,0,0|2,0,1]=4 4094 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,1,0,0,0,0|2,0,1]=4 4095 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,1,0,0,0,0|2,0,1]=4 4096 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,1,0,0,0,0|2,0,1]=4 4097 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,1,0,0,0,0|2,0,1]=4 4098 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,1,0,0,0,0|2,0,1]=4 4099 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [0,1,0,0,0,0|3,0,0]=4 4100 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,0]=2 4101 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 11a_106832991635_100010262590 [0,1,0,0,0,0|3,0,0]=4 4102 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 240690a_100102657272_100010262590 [0,1,0,0,0,0|3,0,0]=4 4103 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 527a_100102657272_100010262590 [0,1,0,0,0,0|3,0,0]=4 4104 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,1,0,0,0,0|2,0,0]=3 4105 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,1,0,0,0,0|2,0,0]=3 4106 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,1,0,0,0,0|2,0,0]=3 4107 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,1,0,0,0,0|2,0,1]=4 4108 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,1,0,0,0,0|2,0,1]=4 4109 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,1,0,0,0,0|2,0,1]=4 4110 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,1,0,0,0,0|2,0,0]=3 4111 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,1,0,0,0,0|2,0,0]=3 4112 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,1,0,0,0,0|2,0,0]=3 4113 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,0,0,0,0|2,0,0]=3 4114 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,0,0,0,0|2,0,0]=3 4115 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,0,0,0,0|2,0,0]=3 4116 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,0,0,0,0|2,0,0]=3 4117 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,1,0,0,0,0|2,0,0]=3 4118 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,1,0,0,0,0|2,0,0]=3 4119 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,1,0,0,0,0|2,0,0]=3 4120 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,1,0,0,0,0|2,0,1]=4 4121 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,1,0,0,0,0|2,0,0]=3 4122 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,1,0,0,0,0|2,0,0]=3 4123 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,1,0,0,0,0|2,0,0]=3 4124 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,1,0,0,0,0|2,0,0]=3 4125 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,1,0,0,0,0|2,0,0]=3 4126 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,1,0,0,0,0|2,0,0]=3 4127 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,1,0,0,0,0|2,0,0]=3 4128 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,1,0,0,0,0|2,0,1]=4 4129 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,1,0,0,0,0|2,0,1]=4 4130 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,1,0,0,0,0|2,0,1]=4 4131 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,1,0,0,0,0|2,0,1]=4 4132 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,1,0,0,0,0|2,0,0]=3 4133 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,1,0,0,0,0|2,0,0]=3 4134 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,1,0,0,0,0|2,0,0]=3 4135 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,1,0,0,0,0|2,0,0]=3 4136 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,1,0,0,0,0|2,0,0]=3 4137 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,1,0,0,0,0|2,0,0]=3 4138 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,1,0,0,0,0|2,0,0]=3 4139 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,1,0,0,0,0|2,0,0]=3 4140 B9R0.46 CNC(=O)CNCCC#N 2230a_100000693194_100011215226 [0,1,0,0,0,0|2,0,1]=4 4141 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|2,0,0]=3 4142 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|2,0,0]=3 4143 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|2,0,0]=3 4144 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|2,0,0]=3 4145 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|2,0,0]=3 4146 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|2,0,0]=3 4147 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|2,0,0]=3 4148 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|2,0,0]=3 4149 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|2,0,0]=3 4150 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|2,0,0]=3 4151 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|2,0,0]=3 4152 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|2,0,0]=3 4153 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|2,0,0]=3 4154 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|2,0,0]=3 4155 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|2,0,0]=3 4156 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 4157 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 4158 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|2,0,0]=3 4159 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|2,0,0]=3 4160 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 4161 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,1,0,0,0,0|3,0,0]=4 4162 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|2,0,0]=3 4163 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|2,0,0]=3 4164 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|2,0,0]=3 4165 B9R0.46 CNC(=O)CSCCC#N 62a_100000183359_100011215226 [0,1,0,0,0,0|2,0,1]=4 4166 B9R0.46 CNC(=O)CSCCC#N 62a_100011215226_100000183359 [0,1,0,0,0,0|2,0,1]=4 4167 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|2,0,0]=3 4168 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|2,0,0]=3 4169 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|2,0,0]=3 4170 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|2,0,0]=3 4171 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|2,0,0]=3 4172 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|2,0,0]=3 4173 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|2,0,0]=3 4174 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|2,0,0]=3 4175 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|2,0,0]=3 4176 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|2,0,0]=3 4177 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|2,0,0]=3 4178 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|2,0,0]=3 4179 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|2,0,0]=3 4180 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|2,0,0]=3 4181 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|2,0,0]=3 4182 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|2,0,0]=3 4183 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|2,0,0]=3 4184 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|2,0,0]=3 4185 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|2,0,0]=3 4186 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|2,0,0]=3 4187 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|2,0,0]=3 4188 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|2,0,0]=3 4189 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|2,0,0]=3 4190 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|2,0,0]=3 4191 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|2,0,0]=3 4192 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,1,0,0,0,0|3,0,0]=4 4193 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,1,0,0,0,0|3,0,0]=4 4194 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,1,0,0,0,0|3,0,0]=4 4195 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,1,0,0,0,0|3,0,0]=4 4196 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|1,0,0]=2 4197 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|1,0,0]=2 4198 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|1,0,0]=2 4199 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|2,0,0]=3 4200 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|2,0,0]=3 4201 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|2,0,0]=3 4202 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,0,0]=2 4203 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,0,0]=2 4204 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,0,0]=2 4205 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,0,0]=2 4206 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,0,0]=2 4207 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,0,0]=2 4208 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,0,0,0,0|2,0,0]=3 4209 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,0,0,0,0|2,0,0]=3 4210 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,0,0,0,0|2,0,0]=3 4211 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|2,0,0]=3 4212 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|2,0,0]=3 4213 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,0,0,0,0|2,0,0]=3 4214 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,0,0,0,0|2,0,0]=3 4215 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,1,0,0,0,0|2,0,1]=4 4216 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,1,0,0,0,0|2,0,1]=4 4217 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,0,0,0,0|2,0,1]=4 4218 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,0,0,0,0|2,0,1]=4 4219 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,0,0,0,0|2,0,0]=3 4220 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,0,0,0,0|2,0,0]=3 4221 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|2,0,0]=3 4222 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|2,0,0]=3 4223 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|2,0,0]=3 4224 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|2,0,0]=3 4225 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 4226 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 4227 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|2,0,0]=3 4228 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|2,0,0]=3 4229 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|2,0,0]=3 4230 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|2,0,0]=3 4231 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|2,0,0]=3 4232 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,1,0,0,0,0|3,0,0]=4 4233 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|2,0,0]=3 4234 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|2,0,0]=3 4235 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|2,0,0]=3 4236 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|2,0,0]=3 4237 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|2,0,0]=3 4238 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|2,0,0]=3 4239 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,1,0,0,0,0|2,0,1]=4 4240 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,1,0,0,0,0|2,0,1]=4 4241 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|2,0,0]=3 4242 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|2,0,0]=3 4243 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|2,0,0]=3 4244 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|2,0,0]=3 4245 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|2,0,0]=3 4246 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|2,0,0]=3 4247 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,1,0,0,0,0|3,0,0]=4 4248 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|3,0,0]=4 4249 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|3,0,0]=4 4250 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|3,0,0]=4 4251 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,0,0,0,0|3,0,0]=4 4252 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,0]=2 4253 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,0,0]=2 4254 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,0,0]=2 4255 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,0,0]=2 4256 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,0,0]=3 4257 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,0,0]=3 4258 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|2,0,0]=3 4259 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,1,0,0,0,0|3,0,0]=4 4260 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|2,0,0]=3 4261 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|2,0,0]=3 4262 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|2,0,0]=3 4263 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|2,0,0]=3 4264 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|2,0,0]=3 4265 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|2,0,0]=3 4266 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|2,0,0]=3 4267 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,0,0,0,0|3,0,0]=4 4268 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 4269 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 4270 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|1,0,1]=3 4271 B9R0.46 N#CCOCCC(=O)CO 1458a_100000210174_200000047693 [0,1,0,0,0,0|2,0,1]=4 4272 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,1,0,0,0,0|3,0,0]=4 4273 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|1,0,0]=2 4274 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,1,0,0,0,0|2,0,0]=3 4275 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,0]=2 4276 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,0]=2 4277 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,0,0,0,0|2,0,0]=3 4278 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 4279 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 4280 B9R0.46 [N-]=[N+]=NCCCC(=O)CF 1458a_100010262590_100015361967 [0,1,0,0,0,0|3,0,0]=4 4281 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,1,0,0,0,0|0,0,3]=4 4282 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,1,0,0,0,0|0,0,2]=3 4283 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,1,0,0,0,0|0,0,2]=3 4284 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,1,0,0,0,0|0,0,2]=3 4285 B9R0.47 C#CCCCC(=O)C(O)O 1458a_100000233687_100000731252 [0,1,0,0,0,0|1,0,2]=4 4286 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,1,0,0,0,0|1,0,2]=4 4287 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,1,0,0,0,0|1,0,2]=4 4288 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,1,0,0,0,0|1,0,2]=4 4289 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,1,0,0,0,0|1,0,2]=4 4290 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,1,0,0,0,0|0,0,2]=3 4291 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,1,0,0,0,0|0,0,2]=3 4292 B9R0.47 C#CCCNC(=O)C(C)C 11a_100000755551_100000210198 [0,1,0,0,0,0|1,0,2]=4 4293 B9R0.47 C#CCCNC(=O)C(C)C 1626a_100000755551_100000210198 [0,1,0,0,0,0|1,0,2]=4 4294 B9R0.47 C#CCCNC(=O)C(C)C 240690a_100000755551_100000210198 [0,1,0,0,0,0|1,0,2]=4 4295 B9R0.47 C#CCCNC(=O)C(C)C 527a_100000755551_100000210198 [0,1,0,0,0,0|1,0,2]=4 4296 B9R0.47 C#CCCNC(=O)C(C)F 11a_100000755551_100000062450 [0,1,0,0,0,0|1,0,2]=4 4297 B9R0.47 C#CCCNC(=O)C(C)F 1626a_100000755551_100000062450 [0,1,0,0,0,0|1,0,2]=4 4298 B9R0.47 C#CCCNC(=O)C(C)F 240690a_100000755551_100000062450 [0,1,0,0,0,0|1,0,2]=4 4299 B9R0.47 C#CCCNC(=O)C(C)F 527a_100000755551_100000062450 [0,1,0,0,0,0|1,0,2]=4 4300 B9R0.47 C#CCCNC(=O)[C@@H](C)O 240690a_100000755551_100000717761 [0,1,0,0,0,0|1,0,2]=4 4301 B9R0.47 C#CCCNC(=O)[C@H](C)O 1626a_100000755551_217856618621 [0,1,0,0,0,0|1,0,2]=4 4302 B9R0.47 C#CCCNC(=O)[C@H](C)O 240690a_100000755551_217856618621 [0,1,0,0,0,0|1,0,2]=4 4303 B9R0.47 C#CCNCC(=O)C(C)C 34a_100000212058_100000753385 [0,1,0,0,0,0|1,0,2]=4 4304 B9R0.47 C#CCOCC(=O)C(C)C 1458a_100011251226_100000210206 [0,1,0,0,0,0|1,0,2]=4 4305 B9R0.47 C#CCOCC(=O)C(C)C 34a_100000210247_100000753385 [0,1,0,0,0,0|1,0,2]=4 4306 B9R0.47 C#CCSCC(=O)C(C)C 62a_100000038162_100000753385 [0,1,0,0,0,0|1,0,2]=4 4307 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|1,0,2]=4 4308 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|1,0,2]=4 4309 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,1,0,0,0,0|0,0,3]=4 4310 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,1,0,0,0,0|0,0,3]=4 4311 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,1,0,0,0,0|1,0,2]=4 4312 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|0,0,1]=2 4313 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|1,0,1]=3 4314 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|1,0,1]=3 4315 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|1,0,1]=3 4316 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|1,0,1]=3 4317 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|1,0,1]=3 4318 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|1,0,1]=3 4319 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|1,0,1]=3 4320 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,1,0,0,0,0|2,0,1]=4 4321 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,1,0,0,0,0|2,0,1]=4 4322 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|2,0,1]=4 4323 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|2,0,1]=4 4324 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|2,0,1]=4 4325 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|2,0,1]=4 4326 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|2,0,1]=4 4327 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,1,0,0,0,0|2,0,1]=4 4328 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|2,0,1]=4 4329 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|2,0,1]=4 4330 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|2,0,1]=4 4331 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|2,0,1]=4 4332 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|2,0,1]=4 4333 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|2,0,1]=4 4334 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|2,0,1]=4 4335 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|2,0,1]=4 4336 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|1,0,2]=4 4337 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|1,0,2]=4 4338 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|1,0,2]=4 4339 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|1,0,2]=4 4340 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,1,0,0,0,0|0,0,3]=4 4341 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,1,0,0,0,0|0,0,2]=3 4342 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,1,0,0,0,0|0,0,2]=3 4343 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,1,0,0,0,0|0,0,2]=3 4344 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,1,0,0,0,0|1,0,2]=4 4345 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,1,0,0,0,0|1,0,2]=4 4346 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,1,0,0,0,0|1,0,2]=4 4347 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,1,0,0,0,0|1,0,2]=4 4348 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,1,0,0,0,0|1,0,2]=4 4349 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|0,0,2]=3 4350 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|0,0,2]=3 4351 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [0,1,0,0,0,0|1,0,2]=4 4352 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [0,1,0,0,0,0|1,0,2]=4 4353 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [0,1,0,0,0,0|1,0,2]=4 4354 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [0,1,0,0,0,0|1,0,2]=4 4355 B9R0.47 C=CCCNC(=O)C(C)F 11a_100015191253_100000062450 [0,1,0,0,0,0|1,0,2]=4 4356 B9R0.47 C=CCCNC(=O)C(C)F 1626a_100015191253_100000062450 [0,1,0,0,0,0|1,0,2]=4 4357 B9R0.47 C=CCCNC(=O)C(C)F 240690a_100015191253_100000062450 [0,1,0,0,0,0|1,0,2]=4 4358 B9R0.47 C=CCCNC(=O)C(C)F 527a_100015191253_100000062450 [0,1,0,0,0,0|1,0,2]=4 4359 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [0,1,0,0,0,0|1,0,2]=4 4360 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [0,1,0,0,0,0|1,0,2]=4 4361 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [0,1,0,0,0,0|1,0,2]=4 4362 B9R0.47 C=CCNCC(=O)C(C)C 2230a_100020586998_100000753385 [0,1,0,0,0,0|1,0,2]=4 4363 B9R0.47 C=CCOCC(=O)C(C)C 34a_200000210373_100000753385 [0,1,0,0,0,0|1,0,2]=4 4364 B9R0.47 C=CCSCC(=O)C(C)C 1458a_100000230395_100000210206 [0,1,0,0,0,0|1,0,2]=4 4365 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000210623_100000753385 [0,1,0,0,0,0|1,0,2]=4 4366 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000753385_100000210623 [0,1,0,0,0,0|1,0,2]=4 4367 B9R0.47 C=COCCC(=O)C(C)C 1458a_100000210198_100000039644 [0,1,0,0,0,0|1,0,2]=4 4368 B9R0.47 C=COCCC(=O)C(C)F 1458a_100000062450_100000039644 [0,1,0,0,0,0|1,0,2]=4 4369 B9R0.47 C=COCCC(=O)[C@@H](C)O 1458a_100000717761_100000039644 [0,1,0,0,0,0|1,0,2]=4 4370 B9R0.47 C=COCCC(=O)[C@H](C)O 1458a_217856618621_100000039644 [0,1,0,0,0,0|1,0,2]=4 4371 B9R0.47 CC#CCNC(=O)C(C)C 11a_100000685387_100000210198 [0,1,0,0,0,0|1,0,2]=4 4372 B9R0.47 CC#CCNC(=O)C(C)C 1626a_100000685387_100000210198 [0,1,0,0,0,0|1,0,2]=4 4373 B9R0.47 CC#CCNC(=O)C(C)C 527a_100000685387_100000210198 [0,1,0,0,0,0|1,0,2]=4 4374 B9R0.47 CC#CCNC(=O)C(C)F 11a_100000685387_100000062450 [0,1,0,0,0,0|1,0,2]=4 4375 B9R0.47 CC#CCNC(=O)C(C)F 1626a_100000685387_100000062450 [0,1,0,0,0,0|1,0,2]=4 4376 B9R0.47 CC#CCNC(=O)C(C)F 527a_100000685387_100000062450 [0,1,0,0,0,0|1,0,2]=4 4377 B9R0.47 CC#CCNC(=O)[C@H](C)O 1626a_100000685387_217856618621 [0,1,0,0,0,0|1,0,2]=4 4378 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|2,0,1]=4 4379 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|2,0,1]=4 4380 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 4381 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|2,0,1]=4 4382 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|2,0,1]=4 4383 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|2,0,1]=4 4384 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 4385 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|2,0,1]=4 4386 B9R0.47 CC(C)C(=O)CC#CCO 1458a_100000210198_200000047223 [0,1,0,0,0,0|1,0,2]=4 4387 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,1,0,0,0,0|1,0,1]=3 4388 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,1,0,0,0,0|1,0,1]=3 4389 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|1,0,0]=2 4390 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|1,0,0]=2 4391 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|1,0,0]=2 4392 B9R0.47 CC(C)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210206 [0,1,0,0,0,0|3,0,0]=4 4393 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,1,0,0,0,0|2,0,0]=3 4394 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,1,0,0,0,0|2,0,0]=3 4395 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,1,0,0,0,0|2,0,0]=3 4396 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,1,0,0,0,0|2,0,0]=3 4397 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,1,0,0,0,0|2,0,0]=3 4398 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,1,0,0,0,0|2,0,0]=3 4399 B9R0.47 CC(C)C(=O)CSCC#N 1458a_100000150266_100000210206 [0,1,0,0,0,0|2,0,1]=4 4400 B9R0.47 CC(C)C(=O)CSCC#N 62a_100000753385_100011215382 [0,1,0,0,0,0|2,0,1]=4 4401 B9R0.47 CC(C)C(=O)CSCC#N 62a_100011215382_100000753385 [0,1,0,0,0,0|2,0,1]=4 4402 B9R0.47 CC(C)C(=O)CSCC=O 62a_100000753385_200015260668 [0,1,0,0,0,0|2,0,1]=4 4403 B9R0.47 CC(C)C(=O)CSCC=O 62a_200015260668_100000753385 [0,1,0,0,0,0|2,0,1]=4 4404 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,1,0,0,0,0|2,0,0]=3 4405 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,1,0,0,0,0|2,0,0]=3 4406 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,1,0,0,0,0|2,0,0]=3 4407 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,1,0,0,0,0|2,0,0]=3 4408 B9R0.47 CC(C)C(=O)NCCC#N 11a_100000720768_100000210198 [0,1,0,0,0,0|2,0,1]=4 4409 B9R0.47 CC(C)C(=O)NCCC#N 1626a_100000720768_100000210198 [0,1,0,0,0,0|2,0,1]=4 4410 B9R0.47 CC(C)C(=O)NCCC#N 240690a_100000720768_100000210198 [0,1,0,0,0,0|2,0,1]=4 4411 B9R0.47 CC(C)C(=O)NCCC#N 527a_100000720768_100000210198 [0,1,0,0,0,0|2,0,1]=4 4412 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,1,0,0,0,0|2,0,0]=3 4413 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,1,0,0,0,0|2,0,0]=3 4414 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,1,0,0,0,0|2,0,0]=3 4415 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,1,0,0,0,0|2,0,0]=3 4416 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,1,0,0,0,0|2,0,0]=3 4417 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,1,0,0,0,0|2,0,0]=3 4418 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,1,0,0,0,0|2,0,0]=3 4419 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,1,0,0,0,0|2,0,0]=3 4420 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,1,0,0,0,0|3,0,0]=4 4421 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,1,0,0,0,0|3,0,0]=4 4422 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,1,0,0,0,0|3,0,0]=4 4423 B9R0.47 CC(C)N(C)CCCCF 269982a_200000211004_100000729493 [0,1,0,0,0,0|3,0,0]=4 4424 B9R0.47 CC(C)N(C)CCCCO 2230a_100000717598_100000210206 [0,1,0,0,0,0|3,0,0]=4 4425 B9R0.47 CC(C)N(C)CCCCO 2230a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 4426 B9R0.47 CC(C)N(C)CCCCO 269982a_100000717598_100000210206 [0,1,0,0,0,0|3,0,0]=4 4427 B9R0.47 CC(C)N(C)CCCCO 269982a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 4428 B9R0.47 CC(C)N(C)CCCCO 269982a_200000211004_100000210776 [0,1,0,0,0,0|3,0,0]=4 4429 B9R0.47 CC(C)N([13CH3])CCCCO 2230a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 4430 B9R0.47 CC(C)N([13CH3])CCCCO 269982a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 4431 B9R0.47 CC(F)C(=O)CC#CCO 1458a_100000062450_200000047223 [0,1,0,0,0,0|1,0,2]=4 4432 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,1,0,0,0,0|1,0,1]=3 4433 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|1,0,0]=2 4434 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|1,0,0]=2 4435 B9R0.47 CC(F)C(=O)NCCC#N 11a_100000720768_100000062450 [0,1,0,0,0,0|2,0,1]=4 4436 B9R0.47 CC(F)C(=O)NCCC#N 1626a_100000720768_100000062450 [0,1,0,0,0,0|2,0,1]=4 4437 B9R0.47 CC(F)C(=O)NCCC#N 240690a_100000720768_100000062450 [0,1,0,0,0,0|2,0,1]=4 4438 B9R0.47 CC(F)C(=O)NCCC#N 527a_100000720768_100000062450 [0,1,0,0,0,0|2,0,1]=4 4439 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 4440 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 4441 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 4442 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 4443 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,1,0,0,0,0|2,0,0]=3 4444 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,1,0,0,0,0|2,0,0]=3 4445 B9R0.47 CC(F)C(=O)NNCCO 22a_100000210001_100000062450 [0,1,0,0,0,0|3,0,0]=4 4446 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,1,0,0,0,0|0,0,2]=3 4447 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 4448 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 4449 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 4450 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 4451 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,1,0,0,0,0|0,0,2]=3 4452 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,1,0,0,0,0|0,0,2]=3 4453 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,1,0,0,0,0|1,0,2]=4 4454 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,1,0,0,0,0|0,0,2]=3 4455 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,1,0,0,0,0|0,0,2]=3 4456 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,1,0,0,0,0|0,0,2]=3 4457 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,1,0,0,0,0|0,0,2]=3 4458 B9R0.47 CCC#CCC(=O)C(O)O 1458a_100000233687_100009813939 [0,1,0,0,0,0|1,0,2]=4 4459 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,1,0,0,0,0|0,0,2]=3 4460 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,1,0,0,0,0|0,0,2]=3 4461 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [0,1,0,0,0,0|2,0,1]=4 4462 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,1,0,0,0,0|0,0,2]=3 4463 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,1,0,0,0,0|1,0,2]=4 4464 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,0,0,0,0|0,0,2]=3 4465 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,1,0,0,0,0|1,0,2]=4 4466 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,1,0,0,0,0|1,0,2]=4 4467 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,1,0,0,0,0|1,0,2]=4 4468 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|0,0,0]=1 4469 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|0,0,0]=1 4470 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|0,0,0]=1 4471 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|1,0,0]=2 4472 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 4473 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 4474 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 4475 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 4476 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|0,0,0]=1 4477 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|0,0,0]=1 4478 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|1,0,2]=4 4479 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|1,0,2]=4 4480 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|1,0,2]=4 4481 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|2,0,1]=4 4482 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|2,0,1]=4 4483 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|2,0,1]=4 4484 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 4485 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 4486 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 4487 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|2,0,1]=4 4488 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,1,0,0,0,0|2,0,0]=3 4489 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,1,0,0,0,0|2,0,0]=3 4490 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,1,0,0,0,0|2,0,0]=3 4491 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,1,0,0,0,0|2,0,0]=3 4492 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,1,0,0,0,0|2,0,0]=3 4493 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,1,0,0,0,0|2,0,0]=3 4494 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,1,0,0,0,0|2,0,0]=3 4495 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,1]=4 4496 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|1,0,0]=2 4497 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|1,0,0]=2 4498 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|1,0,0]=2 4499 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|1,0,0]=2 4500 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|1,0,0]=2 4501 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|1,0,0]=2 4502 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|1,0,0]=2 4503 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|1,0,0]=2 4504 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,1,0,0,0,0|2,0,0]=3 4505 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,1,0,0,0,0|2,0,0]=3 4506 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,1,0,0,0,0|2,0,0]=3 4507 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,1,0,0,0,0|2,0,0]=3 4508 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|2,0,0]=3 4509 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|2,0,0]=3 4510 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|1,0,0]=2 4511 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|1,0,0]=2 4512 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|1,0,0]=2 4513 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,1,0,0,0,0|2,0,1]=4 4514 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,1,0,0,0,0|2,0,1]=4 4515 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,1,0,0,0,0|2,0,0]=3 4516 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,1,0,0,0,0|1,0,2]=4 4517 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,1,0,0,0,0|1,0,2]=4 4518 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [0,1,0,0,0,0|3,0,0]=4 4519 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [0,1,0,0,0,0|3,0,0]=4 4520 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,1,0,0,0,0|2,0,0]=3 4521 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,1,0,0,0,0|2,0,0]=3 4522 B9R0.47 CCCNNC(=O)C(F)F 22a_100000740057_100000210393 [0,1,0,0,0,0|3,0,0]=4 4523 B9R0.47 CCCNNC(=O)C(O)O 22a_100000740057_100000233687 [0,1,0,0,0,0|3,0,0]=4 4524 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,0,0,0,0|2,0,0]=3 4525 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,0,0,0,0|2,0,0]=3 4526 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|1,0,1]=3 4527 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|1,0,0]=2 4528 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|1,0,0]=2 4529 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 4530 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 4531 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 4532 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,1,0,0,0,0|2,0,0]=3 4533 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 4534 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,1,0,0,0,0|2,0,1]=4 4535 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|1,0,1]=3 4536 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|1,0,1]=3 4537 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|1,0,0]=2 4538 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|1,0,0]=2 4539 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|1,0,0]=2 4540 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 4541 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 4542 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 4543 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 4544 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,1,0,0,0,0|2,0,0]=3 4545 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,1,0,0,0,0|2,0,0]=3 4546 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,1,0,0,0,0|2,0,0]=3 4547 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,1,0,0,0,0|2,0,0]=3 4548 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,1,0,0,0,0|1,0,2]=4 4549 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|1,0,0]=2 4550 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|1,0,0]=2 4551 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|1,0,0]=2 4552 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|2,0,0]=3 4553 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 4554 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 4555 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 4556 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,1,0,0,0,0|2,0,0]=3 4557 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 4558 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|1,0,0]=2 4559 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|1,0,0]=2 4560 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,1,0,0,0,0|2,0,1]=4 4561 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [0,1,0,0,0,0|3,0,0]=4 4562 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|1,0,0]=2 4563 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|1,0,0]=2 4564 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|1,0,0]=2 4565 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|2,0,0]=3 4566 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 4567 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 4568 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 4569 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 4570 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,1,0,0,0,0|2,0,0]=3 4571 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,1,0,0,0,0|2,0,0]=3 4572 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|1,0,0]=2 4573 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|1,0,0]=2 4574 B9R0.47 CCSCCN(C)C(C)C 269982a_200000211004_100000757381 [0,1,0,0,0,0|3,0,0]=4 4575 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,1,0,0,0,0|2,0,0]=3 4576 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,1,0,0,0,0|2,0,0]=3 4577 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 4578 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 4579 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 4580 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 4581 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,1,0,0,0,0|2,0,0]=3 4582 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,1,0,0,0,0|2,0,0]=3 4583 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,1,0,0,0,0|2,0,0]=3 4584 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,1,0,0,0,0|2,0,0]=3 4585 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,1,0,0,0,0|3,0,0]=4 4586 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,1,0,0,0,0|3,0,0]=4 4587 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,1,0,0,0,0|3,0,0]=4 4588 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,1,0,0,0,0|3,0,0]=4 4589 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,1,0,0,0,0|3,0,0]=4 4590 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,1,0,0,0,0|3,0,0]=4 4591 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,1,0,0,0,0|3,0,0]=4 4592 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,1,0,0,0,0|3,0,0]=4 4593 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,1,0,0,0,0|3,0,0]=4 4594 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,1,0,0,0,0|3,0,0]=4 4595 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,1,0,0,0,0|3,0,0]=4 4596 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,1,0,0,0,0|3,0,0]=4 4597 B9R0.47 CN(C)C(=O)CSCCF 62a_100000692301_100011217306 [0,1,0,0,0,0|3,0,0]=4 4598 B9R0.47 CN(C)C(=O)CSCCF 62a_100011217306_100000692301 [0,1,0,0,0,0|3,0,0]=4 4599 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,1,0,0,0,0|3,0,0]=4 4600 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,1,0,0,0,0|3,0,0]=4 4601 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,1,0,0,0,0|3,0,0]=4 4602 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,1,0,0,0,0|2,0,0]=3 4603 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,1,0,0,0,0|2,0,0]=3 4604 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,1,0,0,0,0|2,0,0]=3 4605 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,1,0,0,0,0|2,0,0]=3 4606 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,1,0,0,0,0|2,0,0]=3 4607 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,1,0,0,0,0|1,0,2]=4 4608 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|1,0,0]=2 4609 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|1,0,0]=2 4610 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|1,0,0]=2 4611 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|2,0,0]=3 4612 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 4613 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 4614 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 4615 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 4616 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|1,0,0]=2 4617 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|1,0,0]=2 4618 B9R0.47 COCCCN(C)C(C)C 2230a_100000224831_100000210206 [0,1,0,0,0,0|3,0,0]=4 4619 B9R0.47 COCCCN(C)C(C)C 269982a_100000224831_100000210206 [0,1,0,0,0,0|3,0,0]=4 4620 B9R0.47 COCCCN(C)C(C)C 269982a_200000211004_100000740836 [0,1,0,0,0,0|3,0,0]=4 4621 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,1,0,0,0,0|2,0,0]=3 4622 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,1,0,0,0,0|2,0,0]=3 4623 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,1,0,0,0,0|2,0,0]=3 4624 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,1,0,0,0,0|2,0,0]=3 4625 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,1,0,0,0,0|2,0,0]=3 4626 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,1,0,0,0,0|2,0,0]=3 4627 B9R0.47 COCCNC(=O)C(F)F 1626a_100000209980_100000210393 [0,1,0,0,0,0|3,0,0]=4 4628 B9R0.47 COCCNC(=O)C(F)F 240690a_100000209980_100000210393 [0,1,0,0,0,0|3,0,0]=4 4629 B9R0.47 COCCNC(=O)C(F)F 527a_100000209980_100000210393 [0,1,0,0,0,0|3,0,0]=4 4630 B9R0.47 COCCNC(=O)C(O)O 240690a_100000209980_100000233687 [0,1,0,0,0,0|3,0,0]=4 4631 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,0,0,0,0|2,0,0]=3 4632 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,0,0,0,0|2,0,0]=3 4633 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,0,0,0,0|2,0,0]=3 4634 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,1,0,0,0,0|3,0,0]=4 4635 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|2,0,1]=4 4636 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|2,0,1]=4 4637 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,1,0,0,0,0|2,0,0]=3 4638 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,1,0,0,0,0|2,0,0]=3 4639 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,1,0,0,0,0|3,0,0]=4 4640 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,1,0,0,0,0|3,0,0]=4 4641 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|1,0,0]=2 4642 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 4643 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 4644 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 4645 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 4646 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,1,0,0,0,0|2,0,0]=3 4647 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,1,0,0,0,0|2,0,0]=3 4648 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,1,0,0,0,0|2,0,0]=3 4649 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,1,0,0,0,0|2,0,0]=3 4650 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,1,0,0,0,0|2,0,0]=3 4651 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,1,0,0,0,0|2,0,0]=3 4652 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 4653 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 4654 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 4655 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 4656 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 4657 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 4658 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 4659 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 4660 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,1,0,0,0,0|3,0,0]=4 4661 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,1,0,0,0,0|3,0,0]=4 4662 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,0,0,0,0|2,0,0]=3 4663 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,0,0,0,0|2,0,0]=3 4664 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,0,0,0,0|2,0,0]=3 4665 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,1,0,0,0,0|3,0,0]=4 4666 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|2,0,1]=4 4667 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|2,0,1]=4 4668 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,1,0,0,0,0|2,0,0]=3 4669 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,1,0,0,0,0|2,0,0]=3 4670 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,1,0,0,0,0|3,0,0]=4 4671 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,1,0,0,0,0|3,0,0]=4 4672 B9R0.47 C[C@@H](O)C(=O)CC#CCO 1458a_100000717761_200000047223 [0,1,0,0,0,0|1,0,2]=4 4673 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,1,0,0,0,0|1,0,1]=3 4674 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|1,0,0]=2 4675 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|1,0,0]=2 4676 B9R0.47 C[C@@H](O)C(=O)NCCC#N 240690a_100000720768_100000717761 [0,1,0,0,0,0|2,0,1]=4 4677 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,0,0,0,0|2,0,0]=3 4678 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,0,0,0,0|2,0,0]=3 4679 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,1,0,0,0,0|3,0,0]=4 4680 B9R0.47 C[C@H](O)C(=O)CC#CCO 1458a_217856618621_200000047223 [0,1,0,0,0,0|1,0,2]=4 4681 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,1,0,0,0,0|1,0,1]=3 4682 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|1,0,0]=2 4683 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|1,0,0]=2 4684 B9R0.47 C[C@H](O)C(=O)NCCC#N 1626a_100000720768_217856618621 [0,1,0,0,0,0|2,0,1]=4 4685 B9R0.47 C[C@H](O)C(=O)NCCC#N 240690a_100000720768_217856618621 [0,1,0,0,0,0|2,0,1]=4 4686 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,0,0,0,0|2,0,0]=3 4687 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,0,0,0,0|2,0,0]=3 4688 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,0,0,0,0|2,0,0]=3 4689 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,1,0,0,0,0|3,0,0]=4 4690 B9R0.47 N#CCCCC(=O)C(O)O 1458a_100000233687_100000211468 [0,1,0,0,0,0|2,0,1]=4 4691 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|2,0,0]=3 4692 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|2,0,0]=3 4693 B9R0.47 O=C(NCCCF)C(F)F 11a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 4694 B9R0.47 O=C(NCCCF)C(F)F 1626a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 4695 B9R0.47 O=C(NCCCF)C(F)F 240690a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 4696 B9R0.47 O=C(NCCCF)C(F)F 527a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 4697 B9R0.47 O=C(NCCCF)C(O)O 240690a_100015189416_100000233687 [0,1,0,0,0,0|3,0,0]=4 4698 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,1,0,0,0,0|3,0,0]=4 4699 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,1,0,0,0,0|3,0,0]=4 4700 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,1,0,0,0,0|3,0,0]=4 4701 B9R0.50 C#CC(CC)OCCCC 34a_100000758843_100000210210 [0,1,0,0,0,0|2,0,1]=4 4702 B9R0.50 C#CC(CC)OCCCC 7a_100000758843_100000210211 [0,1,0,0,0,0|2,0,1]=4 4703 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [0,1,0,0,0,0|2,0,1]=4 4704 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [0,1,0,0,0,0|2,0,1]=4 4705 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [0,1,0,0,0,0|2,0,1]=4 4706 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [0,1,0,0,0,0|2,0,1]=4 4707 B9R0.50 C=CC(=NNCCC)CC 4a_100000740057_100000747743 [0,1,0,0,0,0|3,0,0]=4 4708 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,1,0,0,0,0|2,0,1]=4 4709 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,1,0,0,0,0|2,0,1]=4 4710 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,1,0,0,0,0|2,0,1]=4 4711 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,1,0,0,0,0|2,0,1]=4 4712 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,1,0,0,0,0|2,0,1]=4 4713 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,1,0,0,0,0|2,0,1]=4 4714 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [0,1,0,0,0,0|1,0,1]=3 4715 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,1,0,0,0,0|0,0,2]=3 4716 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,1,0,0,0,0|0,0,2]=3 4717 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,1,0,0,0,0|0,0,2]=3 4718 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,1,0,0,0,0|0,0,2]=3 4719 B9R0.50 CCCCCN(CC)CC 2230a_100000724800_100000210326 [0,1,0,0,0,0|2,0,0]=3 4720 B9R0.50 CCCCCN(CC)CC 269956a_100000042499_100000210326 [0,1,0,0,0,0|2,0,0]=3 4721 B9R0.50 CCCCCN(CC)CC 269982a_100000724800_100000210215 [0,1,0,0,0,0|2,0,0]=3 4722 B9R0.50 CCCCNC(CC)CC 2230a_100000199018_100000210211 [0,1,0,0,0,0|2,0,1]=4 4723 B9R0.50 CCCCNC(CC)CC 270004a_100000102301_100000210860 [0,1,0,0,0,0|2,0,1]=4 4724 B9R0.50 CCCCNC(CC)CC 7a_106832991798_100000210505 [0,1,0,0,0,0|2,0,1]=4 4725 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [0,1,0,0,0,0|1,0,2]=4 4726 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [0,1,0,0,0,0|2,0,1]=4 4727 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [0,1,0,0,0,0|2,0,1]=4 4728 B9R0.50 CCCCSC(CC)CC 62a_100000210211_100000210505 [0,1,0,0,0,0|2,0,1]=4 4729 B9R0.50 CCCCSC(CC)CC 62a_100000210505_100000210210 [0,1,0,0,0,0|2,0,1]=4 4730 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [0,1,0,0,0,0|2,0,1]=4 4731 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [0,1,0,0,0,0|2,0,1]=4 4732 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [0,1,0,0,0,0|2,0,1]=4 4733 B9R0.50 CCCNN=C(CC)CC 4a_100000740057_100000210860 [0,1,0,0,0,0|3,0,0]=4 4734 B9R0.50 CCCNN=C(CC)CO 4a_100000740057_100000725409 [0,1,0,0,0,0|2,0,1]=4 4735 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [0,1,0,0,0,0|2,0,1]=4 4736 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [0,1,0,0,0,0|2,0,1]=4 4737 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,1,0,0,0,0|1,0,2]=4 4738 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,1,0,0,0,0|1,0,2]=4 4739 B9R0.50 CCCOCN(CC)CC 7a_200015374951_100000210303 [0,1,0,0,0,0|3,0,0]=4 4740 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [0,1,0,0,0,0|2,0,1]=4 4741 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [0,1,0,0,0,0|2,0,1]=4 4742 B9R0.50 CCN(CC)CCCCF 2230a_100000724800_100000729493 [0,1,0,0,0,0|3,0,0]=4 4743 B9R0.50 CCN(CC)CCCCF 269956a_100000042499_100000729493 [0,1,0,0,0,0|3,0,0]=4 4744 B9R0.50 CCN(CC)CCCCF 269982a_100000724800_100000729493 [0,1,0,0,0,0|3,0,0]=4 4745 B9R0.50 CCN(CC)CCCCO 2230a_100000724800_100000210776 [0,1,0,0,0,0|3,0,0]=4 4746 B9R0.50 CCN(CC)CCCCO 2230a_100011217355_100000210202 [0,1,0,0,0,0|3,0,0]=4 4747 B9R0.50 CCN(CC)CCCCO 269956a_100000042499_100000210776 [0,1,0,0,0,0|3,0,0]=4 4748 B9R0.50 CCN(CC)CCCCO 269982a_100000724800_100000210776 [0,1,0,0,0,0|3,0,0]=4 4749 B9R0.50 CCN(CC)CCCCO 269982a_100011217355_100000204670 [0,1,0,0,0,0|3,0,0]=4 4750 B9R0.50 CCN(CC)CCCNC 2230a_106832991635_100000709985 [0,1,0,0,0,0|3,0,0]=4 4751 B9R0.50 CCN(CC)CCCNC 7a_106832991635_100000709985 [0,1,0,0,0,0|3,0,0]=4 4752 B9R0.50 CCN(CC)CCCOC 2230a_100000724800_100000740836 [0,1,0,0,0,0|3,0,0]=4 4753 B9R0.50 CCN(CC)CCCOC 269956a_100000042499_100000740836 [0,1,0,0,0,0|3,0,0]=4 4754 B9R0.50 CCN(CC)CCCOC 269982a_100000724800_100000740836 [0,1,0,0,0,0|3,0,0]=4 4755 B9R0.50 CCN(CC)CCCOC 7a_100000212844_200000210301 [0,1,0,0,0,0|3,0,0]=4 4756 B9R0.50 CCN(CC)CCCO[13CH3] 7a_100000212844_200025704644 [0,1,0,0,0,0|3,0,0]=4 4757 B9R0.50 CCN(CC)CCCSC 62a_200000210301_100000709985 [0,1,0,0,0,0|3,0,0]=4 4758 B9R0.50 CCN(CC)CCCS[13CH3] 62a_200025704644_100000709985 [0,1,0,0,0,0|3,0,0]=4 4759 B9R0.50 CCN(CF)CCCCO 269982a_100011217355_100015361967 [0,1,0,0,0,0|3,0,0]=4 4760 B9R0.50 CCNCCN(CC)CC 2230a_100015382049_100000210202 [0,1,0,0,0,0|3,0,0]=4 4761 B9R0.50 CCNCCN(CC)CC 2230a_100015525214_100000700428 [0,1,0,0,0,0|3,0,0]=4 4762 B9R0.50 CCOCCN(CC)CC 2230a_100000724800_100011215890 [0,1,0,0,0,0|3,0,0]=4 4763 B9R0.50 CCOCCN(CC)CC 269956a_100000042499_100000210147 [0,1,0,0,0,0|3,0,0]=4 4764 B9R0.50 CCOCCN(CC)CC 269982a_100000724800_100011215890 [0,1,0,0,0,0|3,0,0]=4 4765 B9R0.50 CCOCCN(CC)CC 7a_100016990331_100000210202 [0,1,0,0,0,0|3,0,0]=4 4766 B9R0.50 CCSCCN(CC)CC 2230a_100000724800_100000757381 [0,1,0,0,0,0|3,0,0]=4 4767 B9R0.50 CCSCCN(CC)CC 269956a_100000042499_100000757381 [0,1,0,0,0,0|3,0,0]=4 4768 B9R0.50 CCSCCN(CC)CC 269982a_100000724800_100000757381 [0,1,0,0,0,0|3,0,0]=4 4769 B9R0.50 CCSCCN(CC)CC 62a_100000210202_100000700428 [0,1,0,0,0,0|3,0,0]=4 4770 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,0,0,1,0,0|2,0,0]=3 4771 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,0,0,1,0,0|2,0,0]=3 4772 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,0,0,1,0,0|2,0,0]=3 4773 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,0,0,1,0,0|2,0,0]=3 4774 B9R1.1 C=C1CCN(CC1)CF 269982a_100000752442_100015361967 [0,0,0,1,0,0|3,0,0]=4 4775 B9R1.1 C=C1CCN(CC1)CF 34a_100000752442_100015361967 [0,0,0,1,0,0|3,0,0]=4 4776 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,0,0,1,0,0|2,0,1]=4 4777 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,0,0,1,0,0|2,0,1]=4 4778 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,0,0,1,0,0|2,0,1]=4 4779 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,0,0,1,0,0|2,0,0]=3 4780 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,0,0,1,0,0|2,0,0]=3 4781 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,0,0,1,0,0|2,0,0]=3 4782 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,0,0,1,0,0|2,0,0]=3 4783 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,0,0,1,0,0|2,0,0]=3 4784 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,0,0,1,0,0|2,0,0]=3 4785 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,0,0,1,0,0|2,0,1]=4 4786 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,0,0,1,0,0|2,0,1]=4 4787 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,0,0,1,0,0|2,0,1]=4 4788 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,0,0,1,0,0|2,0,1]=4 4789 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,0,0,1,0,0|2,0,1]=4 4790 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,0,0,1,0,0|2,0,1]=4 4791 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,0,0,1,0,0|2,0,1]=4 4792 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,0,0,1,0,0|2,0,1]=4 4793 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,0,0,1,0,0|2,0,1]=4 4794 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,0,0,1,0,0|1,0,2]=4 4795 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,0,0,1,0,0|1,0,2]=4 4796 B9R1.1 CCN1CCN(CC1)C 2230a_100000188432_100000210202 [0,0,0,1,0,0|3,0,0]=4 4797 B9R1.1 CCN1CCN(CC1)C 2230a_100000210033_200000210301 [0,0,0,1,0,0|3,0,0]=4 4798 B9R1.1 CCN1CCN(CC1)C 269982a_100000188432_100000204670 [0,0,0,1,0,0|3,0,0]=4 4799 B9R1.1 CCN1CCN(CC1)C 269982a_100000210033_200000210301 [0,0,0,1,0,0|3,0,0]=4 4800 B9R1.1 CCN1CCN(CC1)[13CH3] 2230a_100000210033_200025704644 [0,0,0,1,0,0|3,0,0]=4 4801 B9R1.1 CCN1CCN(CC1)[13CH3] 269982a_100000210033_200025704644 [0,0,0,1,0,0|3,0,0]=4 4802 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,0,0,1,0,0|2,0,0]=3 4803 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,0,0,1,0,0|2,0,0]=3 4804 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [0,0,0,1,0,0|3,0,0]=4 4805 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [0,0,0,1,0,0|3,0,0]=4 4806 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [0,0,0,1,0,0|3,0,0]=4 4807 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 4808 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 4809 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 4810 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [0,0,0,1,0,0|3,0,0]=4 4811 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,0,0,1,0,0|2,0,0]=3 4812 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,0,0,1,0,0|2,0,0]=3 4813 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,0,0,1,0,0|2,0,1]=4 4814 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,0,0,1,0,0|2,0,1]=4 4815 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,0,0,1,0,0|1,0,2]=4 4816 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [0,0,0,1,0,0|3,0,0]=4 4817 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,0,0,1,0,0|2,0,1]=4 4818 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,0,0,1,0,0|2,0,1]=4 4819 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,1,0,0|1,0,0]=2 4820 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,1,0,0|1,0,0]=2 4821 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,0,1,0,0|2,0,0]=3 4822 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,0,0,1,0,0|2,0,1]=4 4823 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,0,0,1,0,0|2,0,1]=4 4824 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,0,0,1,0,0|2,0,1]=4 4825 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [0,0,0,1,0,0|3,0,0]=4 4826 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [0,0,0,1,0,0|3,0,0]=4 4827 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [0,0,0,1,0,0|3,0,0]=4 4828 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [0,0,0,1,0,0|3,0,0]=4 4829 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [0,0,0,1,0,0|3,0,0]=4 4830 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [0,0,0,1,0,0|3,0,0]=4 4831 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,0,0,1,0,0|3,0,0]=4 4832 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,0,0,1,0,0|2,0,1]=4 4833 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,0,0,1,0,0|2,0,1]=4 4834 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 4835 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 4836 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 4837 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [0,0,0,1,0,0|3,0,0]=4 4838 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 4839 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 4840 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 4841 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,0,0,1,0,0|2,0,1]=4 4842 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,0,0,1,0,0|2,0,1]=4 4843 B9R1.1 O=S1CCN(CC1)CF 269982a_100000752083_100015361967 [0,0,0,1,0,0|3,0,0]=4 4844 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [0,0,0,1,0,0|3,0,0]=4 4845 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [0,0,0,1,0,0|3,0,0]=4 4846 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [0,0,0,1,0,0|3,0,0]=4 4847 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 4848 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 4849 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 4850 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,0,0,1,0,0|2,0,0]=3 4851 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,0,0,1,0,0|2,0,0]=3 4852 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,1,0,0|1,0,0]=2 4853 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,1,0,0|1,0,0]=2 4854 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,0,1,0,0|2,0,0]=3 4855 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,0,0,1,0,0|3,0,0]=4 4856 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,0,0,1,0,0|2,0,1]=4 4857 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,0,0,1,0,0|2,0,1]=4 4858 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,0,0,1,0,0|2,0,1]=4 4859 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,0,0,1,0,0|2,0,1]=4 4860 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,0,0,1,0,0|3,0,0]=4 4861 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,0,0,1,0,0|3,0,0]=4 4862 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,0,0,1,0,0|3,0,0]=4 4863 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,0,0,1,0,0|3,0,0]=4 4864 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,0,0,1,0,0|3,0,0]=4 4865 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,0,0,1,0,0|2,0,0]=3 4866 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,0,0,1,0,0|2,0,0]=3 4867 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,0,0,1,0,0|2,0,0]=3 4868 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,0,0,1,0,0|3,0,0]=4 4869 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,0,0,1,0,0|3,0,0]=4 4870 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,0,0,1,0,0|3,0,0]=4 4871 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,0,0,1,0,0|2,0,1]=4 4872 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,0,0,1,0,0|2,0,1]=4 4873 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,0,0,1,0,0|2,0,1]=4 4874 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,0,0,1,0,0|2,0,1]=4 4875 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,0,0,1,0,0|3,0,0]=4 4876 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,0,0,1,0,0|3,0,0]=4 4877 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,0,0,1,0,0|2,0,0]=3 4878 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,0,0,1,0,0|2,0,0]=3 4879 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,0,0,1,0,0|2,0,0]=3 4880 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,0,0,1,0,0|2,0,0]=3 4881 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,0,0,1,0,0|2,0,0]=3 4882 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,0,0,1,0,0|2,0,0]=3 4883 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 4884 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 4885 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 4886 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 4887 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 4888 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 4889 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,0,1,0,0|1,0,2]=4 4890 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,0,1,0,0|1,0,2]=4 4891 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,0,0,1,0,0|2,0,1]=4 4892 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,0,0,1,0,0|2,0,1]=4 4893 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,0,0,1,0,0|2,0,1]=4 4894 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,0,0,1,0,0|2,0,1]=4 4895 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,0,0,1,0,0|2,0,1]=4 4896 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,0,0,1,0,0|2,0,1]=4 4897 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|2,0,0]=3 4898 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,0,0,1,0,0|2,0,1]=4 4899 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,0,0,1,0,0|1,0,2]=4 4900 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,0|2,0,0]=3 4901 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,0,0,1,0,0|1,0,2]=4 4902 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|1,0,0]=2 4903 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,0,1,0,0|2,0,1]=4 4904 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|2,0,0]=3 4905 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,0|3,0,0]=4 4906 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 4907 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 4908 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 4909 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 4910 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 4911 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 4912 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,0,0,1,0,0|3,0,0]=4 4913 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,0|3,0,0]=4 4914 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 4915 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 4916 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 4917 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,0,0,1,0,0|3,0,0]=4 4918 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,0,0,1,0,0|3,0,0]=4 4919 B9R1.7 CNCC1CCN(C1)C 34a_100102657272_200000690779 [0,0,0,1,0,0|3,0,0]=4 4920 B9R1.7 CNCC1CCN(C1)C 7a_106832991635_200000690779 [0,0,0,1,0,0|3,0,0]=4 4921 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 4922 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 4923 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 4924 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,1,0,0|3,0,0]=4 4925 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 4926 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|3,0,0]=4 4927 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,1,0,0|2,0,0]=3 4928 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,1,0,0|2,0,0]=3 4929 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,1,0,0|2,0,0]=3 4930 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,1,0,0|2,0,0]=3 4931 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,0|3,0,0]=4 4932 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,0|3,0,0]=4 4933 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,0|3,0,0]=4 4934 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,1,0,0|2,0,0]=3 4935 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 4936 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 4937 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 4938 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,0,0,1,0,0|3,0,0]=4 4939 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 4940 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 4941 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 4942 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|2,0,0]=3 4943 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,1,0,0|3,0,0]=4 4944 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,1,0,0|3,0,0]=4 4945 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|3,0,0]=4 4946 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,0,0,1,0,0|3,0,0]=4 4947 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,0|3,0,0]=4 4948 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,0,0,1,0,0|3,0,0]=4 4949 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,0,0,1,0,0|3,0,0]=4 4950 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,1,0,0|3,0,0]=4 4951 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,1,0,0|3,0,0]=4 4952 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|3,0,0]=4 4953 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|3,0,0]=4 4954 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,0,0,1,0,0|3,0,0]=4 4955 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,1,0,0|2,0,0]=3 4956 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,1,0,0|2,0,0]=3 4957 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,0|3,0,0]=4 4958 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,0|3,0,0]=4 4959 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,0,0,1,0,0|3,0,0]=4 4960 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,0,0,1,0,0|2,0,0]=3 4961 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,0,0,1,0,0|3,0,0]=4 4962 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,0,0,1,0,0|3,0,0]=4 4963 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 4964 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 4965 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 4966 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 4967 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 4968 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,1,0,0|2,0,0]=3 4969 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,1,0,0|2,0,0]=3 4970 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,1,0,0|2,0,0]=3 4971 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|2,0,0]=3 4972 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,1,0,0|3,0,0]=4 4973 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,1,0,0|3,0,0]=4 4974 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,1,0,0|3,0,0]=4 4975 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|3,0,0]=4 4976 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|3,0,0]=4 4977 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,1,0,0|2,0,0]=3 4978 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,1,0,0|2,0,0]=3 4979 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,0|3,0,0]=4 4980 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,0|3,0,0]=4 4981 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,0,0,1,0,0|0,0,2]=3 4982 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,0,0,1,0,0|1,0,2]=4 4983 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,0,0,1,0,0|0,0,2]=3 4984 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,0,0,1,0,0|1,0,2]=4 4985 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,0,0,1,0,0|1,0,2]=4 4986 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [0,0,0,1,0,0|2,0,1]=4 4987 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [0,0,0,1,0,0|2,0,1]=4 4988 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,0,0,1,0,0|2,0,1]=4 4989 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,0,0,1,0,0|2,0,1]=4 4990 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,1,0,0|0,0,2]=3 4991 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,0,1,0,0|1,0,2]=4 4992 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,0,1,0,0|1,0,2]=4 4993 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,0,0,1,0,0|0,0,2]=3 4994 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,1,0,0|0,0,0]=1 4995 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,1,0,0|0,0,0]=1 4996 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,1,0,0|1,0,0]=2 4997 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,0,1,0,0|1,0,0]=2 4998 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,0,1,0,0|1,0,0]=2 4999 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,0,0,1,0,0|1,0,2]=4 5000 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,0,0,1,0,0|1,0,2]=4 5001 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,1,0,0|1,0,0]=2 5002 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,1,0,0|1,0,0]=2 5003 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,0,0,1,0,0|2,0,0]=3 5004 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,0,0,1,0,0|2,0,0]=3 5005 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,0,0,1,0,0|2,0,0]=3 5006 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,1,0,0|1,0,0]=2 5007 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,0,0,1,0,0|2,0,1]=4 5008 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,0,0,1,0,0|2,0,1]=4 5009 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,0,0,1,0,0|2,0,0]=3 5010 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,0,0,1,0,0|2,0,0]=3 5011 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,0,0,1,0,0|2,0,0]=3 5012 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,0,0,1,0,0|2,0,0]=3 5013 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,0,0,1,0,0|2,0,0]=3 5014 B9R1.11 CCN(C)C1CCOC1 2230a_100000225621_100000731011 [0,0,0,1,0,0|3,0,0]=4 5015 B9R1.11 CCN(C)C1CCOC1 2230a_100016988252_100000210202 [0,0,0,1,0,0|3,0,0]=4 5016 B9R1.11 CCN(C)C1CCOC1 269982a_100000225621_100000731011 [0,0,0,1,0,0|3,0,0]=4 5017 B9R1.11 CCN(C)C1CCOC1 269982a_100016988252_100000204670 [0,0,0,1,0,0|3,0,0]=4 5018 B9R1.11 CCN(C)C1CCOC1 34a_100016988252_100000210202 [0,0,0,1,0,0|3,0,0]=4 5019 B9R1.11 CN(CF)C1CCCC1 269982a_100000207505_100015361967 [0,0,0,1,0,0|3,0,0]=4 5020 B9R1.11 CN(CF)C1CCCC1 34a_100000207505_100015361967 [0,0,0,1,0,0|3,0,0]=4 5021 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,0,1,0,0|1,0,2]=4 5022 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,0,1,0,0|1,0,2]=4 5023 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,0,1,0,0|1,0,2]=4 5024 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,0,0,1,0,0|1,0,2]=4 5025 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,0,0,1,0,0|1,0,2]=4 5026 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,0,0,1,0,0|1,0,2]=4 5027 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,0,0,1,0,0|1,0,2]=4 5028 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,1,0,0|1,0,0]=2 5029 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,1,0,0|1,0,0]=2 5030 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,1,0,0|1,0,0]=2 5031 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,1,0,0|1,0,0]=2 5032 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,0,0,1,0,0|2,0,0]=3 5033 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,0,0,1,0,0|2,0,0]=3 5034 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,0,0,1,0,0|2,0,0]=3 5035 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,0,0,1,0,0|2,0,0]=3 5036 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,0,0,1,0,0|2,0,0]=3 5037 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,0,0,1,0,0|2,0,0]=3 5038 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,0,0,1,0,0|2,0,0]=3 5039 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,0,0,1,0,0|2,0,0]=3 5040 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,0,0,1,0,0|2,0,0]=3 5041 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,0,0,1,0,0|2,0,0]=3 5042 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,0,0,1,0,0|3,0,0]=4 5043 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,0,0,1,0,0|3,0,0]=4 5044 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,0,0,1,0,0|2,0,0]=3 5045 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,0,0,1,0,0|2,0,0]=3 5046 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,0,0,1,0,0|2,0,0]=3 5047 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,0,0,1,0,0|2,0,0]=3 5048 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [0,0,0,1,0,0|2,0,1]=4 5049 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [0,0,0,1,0,0|2,0,1]=4 5050 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [0,0,0,1,0,0|2,0,1]=4 5051 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [0,0,0,1,0,0|2,0,1]=4 5052 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,0,0,1,0,0|2,0,1]=4 5053 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,0,0,1,0,0|2,0,1]=4 5054 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,0,0,1,0,0|1,0,2]=4 5055 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [0,0,0,1,0,0|1,0,2]=4 5056 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,0,0,1,0,0|1,0,0]=2 5057 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,0,0,1,0,0|2,0,0]=3 5058 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,0,0,1,0,0|2,0,0]=3 5059 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,0,0,1,0,0|2,0,0]=3 5060 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,0,0,1,0,0|1,0,0]=2 5061 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,0,0,1,0,0|2,0,0]=3 5062 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,0,0,1,0,0|2,0,0]=3 5063 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,0,0,1,0,0|2,0,0]=3 5064 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,0,0,1,0,0|3,0,0]=4 5065 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,0,0,1,0,0|3,0,0]=4 5066 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,0,0,1,0,0|2,0,1]=4 5067 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,0,0,1,0,0|2,0,1]=4 5068 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,0,0,1,0,0|2,0,0]=3 5069 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [0,0,0,1,0,0|2,0,1]=4 5070 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [0,0,0,1,0,0|2,0,1]=4 5071 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [0,0,0,1,0,0|2,0,1]=4 5072 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,0,0,1,0,0|2,0,1]=4 5073 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,0,0,1,0,0|2,0,1]=4 5074 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [0,0,0,1,0,0|2,0,1]=4 5075 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [0,0,0,1,0,0|2,0,1]=4 5076 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [0,0,0,1,0,0|2,0,1]=4 5077 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [0,0,0,1,0,0|2,0,1]=4 5078 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,0,1,0,0|1,0,2]=4 5079 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,0,1,0,0|1,0,2]=4 5080 B9R1.17 CCCNN=C1CCC1 4a_100000740057_100000241760 [0,0,0,1,0,0|3,0,0]=4 5081 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [0,0,0,1,0,0|2,0,1]=4 5082 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [0,0,0,1,0,0|2,0,1]=4 5083 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,0,1,0,0|1,0,2]=4 5084 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,0,1,0,0|1,0,2]=4 5085 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [0,0,0,1,0,0|2,0,1]=4 5086 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [0,0,0,1,0,0|2,0,1]=4 5087 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,0,0,1,0,0|1,0,2]=4 5088 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,0,0,1,0,0|1,0,2]=4 5089 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [0,0,0,1,0,0|3,0,0]=4 5090 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [0,0,0,1,0,0|3,0,0]=4 5091 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [0,0,0,1,0,0|3,0,0]=4 5092 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [0,0,0,1,0,0|3,0,0]=4 5093 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [0,0,0,1,0,0|3,0,0]=4 5094 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,0,0,1,0,0|2,0,1]=4 5095 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,0,0,1,0,0|3,0,0]=4 5096 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,0,0,1,0,0|3,0,0]=4 5097 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,0,0,1,0,0|3,0,0]=4 5098 B9R1.21 CCN1CCC(C1)NC 2230a_100015188829_200000210301 [0,0,0,1,0,0|3,0,0]=4 5099 B9R1.21 CCN1CCC(C1)NC 7a_106832991635_200011861547 [0,0,0,1,0,0|3,0,0]=4 5100 B9R1.21 CCN1CCC(C1)N[13CH3] 2230a_100015188829_200025704644 [0,0,0,1,0,0|3,0,0]=4 5101 B9R1.21 CCN1CCC(C1)SC 62a_200000210301_200011861547 [0,0,0,1,0,0|3,0,0]=4 5102 B9R1.21 CCN1CCC(C1)S[13CH3] 62a_200025704644_200011861547 [0,0,0,1,0,0|3,0,0]=4 5103 B9R1.21 CCN1CC[C@H](C1)OC 2230a_100000766984_100000210202 [0,0,0,1,0,0|3,0,0]=4 5104 B9R1.21 CCN1CC[C@H](C1)OC 269982a_100000766984_100000204670 [0,0,0,1,0,0|3,0,0]=4 5105 B9R1.39 C#CCNC1CCC1=O 34a_100000212058_100009892977 [0,0,0,1,0,0|1,0,2]=4 5106 B9R1.39 C#CCOC1CCC1=O 34a_100000210247_100009892977 [0,0,0,1,0,0|1,0,2]=4 5107 B9R1.39 C#CCSC1CCC1=O 62a_100000038162_100009892977 [0,0,0,1,0,0|1,0,2]=4 5108 B9R1.39 C=CCOC1CCC1=O 34a_200000210373_100009892977 [0,0,0,1,0,0|1,0,2]=4 5109 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,0,0,1,0,0|1,0,2]=4 5110 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,0,0,1,0,0|1,0,2]=4 5111 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,0,0,1,0,0|2,0,1]=4 5112 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,0,0,1,0,0|2,0,1]=4 5113 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|1,0,0]=2 5114 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|1,0,0]=2 5115 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|1,0,0]=2 5116 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|1,0,0]=2 5117 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|1,0,0]=2 5118 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,0,1,0,0|2,0,0]=3 5119 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,0,1,0,0|2,0,0]=3 5120 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|1,0,0]=2 5121 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|1,0,0]=2 5122 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,0,1,0,0|2,0,0]=3 5123 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,0,1,0,0|2,0,0]=3 5124 B9R1.39 N#CCSC1CCC1=O 62a_100009892977_100011215382 [0,0,0,1,0,0|2,0,1]=4 5125 B9R1.39 N#CCSC1CCC1=O 62a_100011215382_100009892977 [0,0,0,1,0,0|2,0,1]=4 5126 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,0,0,1,0,0|2,0,0]=3 5127 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,0,0,1,0,0|2,0,0]=3 5128 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,1,0,0|2,0,0]=3 5129 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,0,0,1,0,0|2,0,0]=3 5130 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,0,1,0,0|2,0,0]=3 5131 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,0,1,0,0|2,0,0]=3 5132 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,1,0,0|2,0,0]=3 5133 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,1,0,0|2,0,0]=3 5134 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [0,0,0,1,0,0|2,0,1]=4 5135 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [0,0,0,1,0,0|2,0,1]=4 5136 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|1,0,0]=2 5137 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|1,0,0]=2 5138 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,1,0,0|2,0,0]=3 5139 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,1,0,0|2,0,0]=3 5140 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,1,0,0|2,0,0]=3 5141 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,1,0,0|2,0,0]=3 5142 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,1,0,0|2,0,0]=3 5143 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,1,0,0|2,0,0]=3 5144 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,0,1,0,0|1,0,2]=4 5145 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,0,1,0,0|1,0,2]=4 5146 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [0,0,0,1,0,0|3,0,0]=4 5147 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [0,0,0,1,0,0|3,0,0]=4 5148 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [0,0,0,1,0,0|3,0,0]=4 5149 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [0,0,0,1,0,0|3,0,0]=4 5150 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|2,0,0]=3 5151 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|2,0,0]=3 5152 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,0,1,0,0|1,0,2]=4 5153 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,0,1,0,0|1,0,2]=4 5154 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|2,0,0]=3 5155 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|2,0,0]=3 5156 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5157 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5158 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5159 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5160 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5161 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5162 B9R1.58 CCCN1CC(C1)CC 2230a_100015205115_100000210303 [0,0,0,1,0,0|2,0,1]=4 5163 B9R1.58 CCCN1CC(C1)CC 269982a_100015205115_100000210303 [0,0,0,1,0,0|2,0,1]=4 5164 B9R1.58 CCN1CC(C1)COC 2230a_100016993750_100000210202 [0,0,0,1,0,0|3,0,0]=4 5165 B9R1.58 CCN1CC(C1)COC 269982a_100016993750_100000204670 [0,0,0,1,0,0|3,0,0]=4 5166 B9R1.58 CCN1CC(C1)COC 34a_100016993750_100000210202 [0,0,0,1,0,0|3,0,0]=4 5167 B9R1.58 CCNC1CN(C1)CC 2230a_200015199589_100000210202 [0,0,0,1,0,0|3,0,0]=4 5168 B9R1.58 CCOC1CN(C1)CC 269982a_100000732654_100000204670 [0,0,0,1,0,0|3,0,0]=4 5169 B9R1.58 CCOC1CN(C1)CC 34a_100000732654_100000210202 [0,0,0,1,0,0|3,0,0]=4 5170 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,0,0,1,0,0|2,0,0]=3 5171 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,0,0,1,0,0|2,0,0]=3 5172 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,0,0,1,0,0|2,0,0]=3 5173 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,0,0,1,0,0|2,0,0]=3 5174 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,0,0,1,0,0|2,0,0]=3 5175 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,0,0,1,0,0|2,0,0]=3 5176 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 2708a_100102657272_100015190264 [0,0,0,1,0,0|3,0,0]=4 5177 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100102657272 [0,0,0,1,0,0|3,0,0]=4 5178 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100102657272_100015190264 [0,0,0,1,0,0|3,0,0]=4 5179 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 512a_106832991638_100015190264 [0,0,0,1,0,0|3,0,0]=4 5180 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 2708a_100102657272_100025746932 [0,0,0,1,0,0|3,0,0]=4 5181 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 273464a_100102657272_100025746932 [0,0,0,1,0,0|3,0,0]=4 5182 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100102657272 [0,0,0,1,0,0|3,0,0]=4 5183 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_106832991638_100025746932 [0,0,0,1,0,0|3,0,0]=4 5184 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210174 [0,0,0,1,0,0|3,0,0]=4 5185 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210174 [0,0,0,1,0,0|3,0,0]=4 5186 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210174 [0,0,0,1,0,0|3,0,0]=4 5187 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 527a_100025746932_100000210174 [0,0,0,1,0,0|3,0,0]=4 5188 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,0,0,1,0,0|0,0,2]=3 5189 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,0,0,1,0,0|1,0,2]=4 5190 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,0,0,1,0,0|1,0,2]=4 5191 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,0,0,1,0,0|0,0,2]=3 5192 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,0,0,1,0,0|1,0,2]=4 5193 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,0,0,1,0,0|1,0,2]=4 5194 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,0,0,1,0,0|1,0,2]=4 5195 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,0,0,1,0,0|1,0,2]=4 5196 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,0,0,1,0,0|0,0,2]=3 5197 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,0,1,0,0|0,0,0]=1 5198 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,0,1,0,0|0,0,0]=1 5199 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,0,1,0,0|1,0,0]=2 5200 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,0,0,1,0,0|1,0,0]=2 5201 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,0,0,1,0,0|1,0,0]=2 5202 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,0,1,0,0|1,0,0]=2 5203 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,0,1,0,0|1,0,0]=2 5204 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,0,1,0,0|1,0,0]=2 5205 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,0,1,0,0|1,0,0]=2 5206 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,0,1,0,0|1,0,0]=2 5207 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,0,0,1,0,0|2,0,0]=3 5208 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,0,0,1,0,0|2,0,0]=3 5209 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,0,0,1,0,0|2,0,0]=3 5210 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,0,0,1,0,0|2,0,0]=3 5211 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,0,0,1,0,0|2,0,0]=3 5212 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,0,0,1,0,0|2,0,0]=3 5213 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,0,0,1,0,0|2,0,0]=3 5214 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,0,0,1,0,0|2,0,0]=3 5215 B9R1.79 CCC(C)CN1CCC1 269982a_100000754969_100000748023 [0,0,0,1,0,0|2,0,1]=4 5216 B9R1.79 CCC(C)NC1CCC1 2230a_100000749019_100000758301 [0,0,0,1,0,0|2,0,1]=4 5217 B9R1.79 CCC(C)NC1CCC1 270004a_100000209981_100000241760 [0,0,0,1,0,0|2,0,1]=4 5218 B9R1.79 CCC(C)NC1CCC1 34a_100000749019_100011215416 [0,0,0,1,0,0|2,0,1]=4 5219 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,0,0,1,0,0|2,0,1]=4 5220 B9R1.79 CCC(C)SC1CCC1 62a_100000758301_100000749161 [0,0,0,1,0,0|2,0,1]=4 5221 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [0,0,0,1,0,0|1,0,2]=4 5222 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [0,0,0,1,0,0|2,0,0]=3 5223 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [0,0,0,1,0,0|2,0,0]=3 5224 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [0,0,0,1,0,0|2,0,0]=3 5225 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [0,0,0,1,0,0|2,0,0]=3 5226 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [0,0,0,1,0,0|2,0,0]=3 5227 B9R1.79 CCN(C)CC1CCO1 2230a_100000225621_100000103362 [0,0,0,1,0,0|3,0,0]=4 5228 B9R1.79 CCN(C)CC1CCO1 269982a_100000225621_100000103362 [0,0,0,1,0,0|3,0,0]=4 5229 B9R1.79 CCN(C)CC1COC1 2230a_100000225621_100010264016 [0,0,0,1,0,0|3,0,0]=4 5230 B9R1.79 CCN(C)CC1COC1 269982a_100000225621_100010264016 [0,0,0,1,0,0|3,0,0]=4 5231 B9R1.79 CC[C@H](C)CN1CCC1 269982a_100000754969_100009816398 [0,0,0,1,0,0|2,0,1]=4 5232 B9R1.79 CN(CF)CC1CCC1 269982a_200000750244_100015361967 [0,0,0,1,0,0|3,0,0]=4 5233 B9R1.79 CN(CF)CC1CCC1 34a_200000750244_100015361967 [0,0,0,1,0,0|3,0,0]=4 5234 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,0,0,1,0,0|1,0,2]=4 5235 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,0,0,1,0,0|1,0,2]=4 5236 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,0,1,0,0|1,0,0]=2 5237 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,0,1,0,0|1,0,0]=2 5238 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,0,1,0,0|1,0,0]=2 5239 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,0,1,0,0|1,0,0]=2 5240 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,0,0,1,0,0|2,0,0]=3 5241 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,0,0,1,0,0|2,0,0]=3 5242 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,0,0,1,0,0|2,0,0]=3 5243 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,0,0,1,0,0|2,0,0]=3 5244 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,0,0,1,0,0|2,0,0]=3 5245 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,0,0,1,0,0|2,0,0]=3 5246 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,0,0,1,0,0|2,0,0]=3 5247 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,0,0,1,0,0|2,0,0]=3 5248 B9R1.79 CNC(=O)NC1COC1 2708a_100016991112_106832991635 [0,0,0,1,0,0|3,0,0]=4 5249 B9R1.79 CNC(=O)NC1COC1 2708a_100102657272_100016991112 [0,0,0,1,0,0|3,0,0]=4 5250 B9R1.79 CNC(=O)NC1COC1 273464a_100016991112_100102657272 [0,0,0,1,0,0|3,0,0]=4 5251 B9R1.79 CNC(=O)NC1COC1 273464a_100102657272_100016991112 [0,0,0,1,0,0|3,0,0]=4 5252 B9R1.79 CNC(=O)NC1COC1 512a_100016991112_100102657272 [0,0,0,1,0,0|3,0,0]=4 5253 B9R1.79 CNC(=O)NC1COC1 512a_106832991638_100016991112 [0,0,0,1,0,0|3,0,0]=4 5254 B9R1.79 CNC(=O)NC1CSC1 2708a_100016994217_106832991635 [0,0,0,1,0,0|3,0,0]=4 5255 B9R1.79 CNC(=O)NC1CSC1 2708a_100102657272_100016994217 [0,0,0,1,0,0|3,0,0]=4 5256 B9R1.79 CNC(=O)NC1CSC1 273464a_100016994217_100102657272 [0,0,0,1,0,0|3,0,0]=4 5257 B9R1.79 CNC(=O)NC1CSC1 273464a_100102657272_100016994217 [0,0,0,1,0,0|3,0,0]=4 5258 B9R1.79 CNC(=O)NC1CSC1 512a_100016994217_100102657272 [0,0,0,1,0,0|3,0,0]=4 5259 B9R1.79 CNC(=O)NC1CSC1 512a_106832991638_100016994217 [0,0,0,1,0,0|3,0,0]=4 5260 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,0,0,1,0,0|2,0,0]=3 5261 B9R1.79 O=C(C=C1CCC1)CF 1458a_100000686340_100015361967 [0,0,0,1,0,0|1,0,2]=4 5262 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,0,0,1,0,0|1,0,0]=2 5263 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,0,0,1,0,0|2,0,0]=3 5264 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,0,1,0,0|1,0,0]=2 5265 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,0,0,1,0,0|2,0,0]=3 5266 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,0,0,1,0,0|2,0,0]=3 5267 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,0,0,1,0,0|2,0,0]=3 5268 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,0,0,1,0,0|2,0,0]=3 5269 B9R1.79 O=C(CO)NC1COC1 240690a_100016991112_100000210174 [0,0,0,1,0,0|3,0,0]=4 5270 B9R1.79 O=C(CO)NC1COC1 527a_100016991112_100000210174 [0,0,0,1,0,0|3,0,0]=4 5271 B9R1.79 O=C(CO)NC1CSC1 240690a_100016994217_100000210174 [0,0,0,1,0,0|3,0,0]=4 5272 B9R1.79 O=C(CO)NC1CSC1 527a_100016994217_100000210174 [0,0,0,1,0,0|3,0,0]=4 5273 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,0,0,1,0,0|0,0,2]=3 5274 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,0,0,1,0,0|1,0,2]=4 5275 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,0,0,1,0,0|0,0,2]=3 5276 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,0,0,1,0,0|1,0,2]=4 5277 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,0,0,1,0,0|1,0,2]=4 5278 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,0,0,1,0,0|1,0,2]=4 5279 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,0,0,1,0,0|0,0,2]=3 5280 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,0,1,0,0|0,0,0]=1 5281 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,0,1,0,0|0,0,0]=1 5282 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,0,1,0,0|1,0,0]=2 5283 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,0,1,0,0|1,0,0]=2 5284 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,0,1,0,0|1,0,0]=2 5285 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,0,1,0,0|1,0,0]=2 5286 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,0,1,0,0|1,0,0]=2 5287 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,0,1,0,0|1,0,0]=2 5288 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,0,1,0,0|1,0,0]=2 5289 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,0,0,1,0,0|2,0,0]=3 5290 B9R1.80 CCC(C)CNC1CC1 34a_100000212008_100000748023 [0,0,0,1,0,0|2,0,1]=4 5291 B9R1.80 CCC(C)CSC1CC1 62a_100000748023_100000211595 [0,0,0,1,0,0|2,0,1]=4 5292 B9R1.80 CCC(C)NCC1CC1 2230a_100000209981_100000742324 [0,0,0,1,0,0|2,0,1]=4 5293 B9R1.80 CCC(C)NCC1CC1 2230a_100000735609_100000758301 [0,0,0,1,0,0|2,0,1]=4 5294 B9R1.80 CCC(C)NCC1CC1 269862a_100000209981_100000741477 [0,0,0,1,0,0|2,0,1]=4 5295 B9R1.80 CCC(C)NCC1CC1 34a_100000735609_100011215416 [0,0,0,1,0,0|2,0,1]=4 5296 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,0,0,1,0,0|2,0,1]=4 5297 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,0,0,1,0,0|2,0,1]=4 5298 B9R1.80 CCC(C)SCC1CC1 62a_100000756562_100000758301 [0,0,0,1,0,0|2,0,1]=4 5299 B9R1.80 CCC(C)SCC1CC1 62a_100000758301_100000742324 [0,0,0,1,0,0|2,0,1]=4 5300 B9R1.80 CCC(O)CNC1CC1 34a_100000212008_100011218378 [0,0,0,1,0,0|1,0,2]=4 5301 B9R1.80 CCC(O)CSC1CC1 62a_100011218378_100000211595 [0,0,0,1,0,0|1,0,2]=4 5302 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [0,0,0,1,0,0|2,0,0]=3 5303 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [0,0,0,1,0,0|2,0,0]=3 5304 B9R1.80 CCN(C)CCC1CO1 2230a_100000225621_100000732470 [0,0,0,1,0,0|3,0,0]=4 5305 B9R1.80 CCN(C)CCC1CO1 269982a_100000225621_100000732470 [0,0,0,1,0,0|3,0,0]=4 5306 B9R1.80 CC[C@H](C)CNC1CC1 34a_100000212008_100009816398 [0,0,0,1,0,0|2,0,1]=4 5307 B9R1.80 CC[C@H](C)CSC1CC1 62a_100009816398_100000211595 [0,0,0,1,0,0|2,0,1]=4 5308 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,0,0,1,0,0|1,0,2]=4 5309 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,0,0,1,0,0|1,0,2]=4 5310 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,0,0,1,0,0|1,0,2]=4 5311 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,0,1,0,0|1,0,0]=2 5312 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,0,1,0,0|1,0,0]=2 5313 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,0,1,0,0|1,0,0]=2 5314 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,0,1,0,0|1,0,0]=2 5315 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,0,0,1,0,0|2,0,0]=3 5316 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,0,0,1,0,0|2,0,0]=3 5317 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,0,0,1,0,0|2,0,0]=3 5318 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,0,0,1,0,0|2,0,0]=3 5319 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,0,0,1,0,0|2,0,0]=3 5320 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,0,0,1,0,0|2,0,0]=3 5321 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,0,0,1,0,0|2,0,0]=3 5322 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,0,0,1,0,0|2,0,0]=3 5323 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,0,0,1,0,0|2,0,0]=3 5324 B9R1.80 CNC(=O)NNC1CC1 273464a_100102657272_100000701032 [0,0,0,1,0,0|3,0,0]=4 5325 B9R1.80 CNC(=O)NNC1CC1 512a_100000701032_100102657272 [0,0,0,1,0,0|3,0,0]=4 5326 B9R1.80 CNC(=O)NNC1CC1 512a_106832991638_100000701032 [0,0,0,1,0,0|3,0,0]=4 5327 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,0,0,1,0,0|2,0,0]=3 5328 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,0,0,1,0,0|2,0,0]=3 5329 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,0,0,1,0,0|1,0,2]=4 5330 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,0,0,1,0,0|1,0,0]=2 5331 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,0,0,1,0,0|1,0,0]=2 5332 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,0,0,1,0,0|2,0,0]=3 5333 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,0,0,1,0,0|2,0,0]=3 5334 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,0,0,1,0,0|2,0,0]=3 5335 B9R1.80 O=C(CO)NNC1CC1 22a_100000701032_100000210174 [0,0,0,1,0,0|3,0,0]=4 5336 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,0,0,1,0,0|1,0,2]=4 5337 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,0,0,1,0,0|2,0,0]=3 5338 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,0,0,1,0,0|2,0,0]=3 5339 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,0,0,1,0,0|1,0,1]=3 5340 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,0,0,1,0,0|1,0,0]=2 5341 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,0,0,1,0,0|1,0,0]=2 5342 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,0,0,1,0,0|1,0,0]=2 5343 B9R1.81 CCC(C)N1CCC1C 269982a_100000755817_100000758301 [0,0,0,1,0,0|2,0,1]=4 5344 B9R1.81 CCC(C)N1CCC1C 34a_100000755817_100011215416 [0,0,0,1,0,0|2,0,1]=4 5345 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,0,0,1,0,0|2,0,0]=3 5346 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,0,0,1,0,0|2,0,0]=3 5347 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,0,0,1,0,0|2,0,0]=3 5348 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,0,0,1,0,0|2,0,0]=3 5349 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,0,0,1,0,0|2,0,0]=3 5350 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,0,0,1,0,0|2,0,0]=3 5351 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,0,0,1,0,0|2,0,1]=4 5352 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,0,1,0,0|0,0,0]=1 5353 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [0,0,0,1,0,0|1,0,1]=3 5354 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,0,0,1,0,0|1,0,0]=2 5355 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,0,0,1,0,0|1,0,0]=2 5356 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,0,0,1,0,0|1,0,0]=2 5357 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,0,0,1,0,0|1,0,0]=2 5358 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,0,0,1,0,0|1,0,0]=2 5359 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,0,0,1,0,0|2,0,0]=3 5360 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 11a_106832991635_100015294237 [0,0,0,1,0,0|2,0,1]=4 5361 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 1626a_100102657272_100015294237 [0,0,0,1,0,0|2,0,1]=4 5362 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 240690a_100102657272_100015294237 [0,0,0,1,0,0|2,0,1]=4 5363 B9R1.88 N#C[C@@H]1C[C@H]1C(=O)CF 1458a_100015294237_100015361967 [0,0,0,1,0,0|2,0,1]=4 5364 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,0,0,1,0,0|2,0,0]=3 5365 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,0,0,1,0,0|2,0,0]=3 5366 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,0,0,1,0,0|2,0,0]=3 5367 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,0,0,1,0,0|3,0,0]=4 5368 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,0,0,1,0,0|3,0,0]=4 5369 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,0,0,1,0,0|3,0,0]=4 5370 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,0,0,1,0,0|2,0,1]=4 5371 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,0,0,1,0,0|2,0,1]=4 5372 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,0,0,1,0,0|2,0,1]=4 5373 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,0,0,1,0,0|2,0,1]=4 5374 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|2,0,1]=4 5375 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|2,0,1]=4 5376 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|2,0,1]=4 5377 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|2,0,1]=4 5378 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|2,0,1]=4 5379 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,0,0,1,0,0|3,0,0]=4 5380 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,0,0,1,0,0|3,0,0]=4 5381 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,0,0,1,0,0|2,0,1]=4 5382 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,0,0,1,0,0|2,0,1]=4 5383 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|2,0,1]=4 5384 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|2,0,1]=4 5385 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|2,0,1]=4 5386 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|2,0,1]=4 5387 B9R1.99 CCCCNC1(CC1)C 2230a_100000757604_100000210211 [0,0,0,1,0,0|2,0,1]=4 5388 B9R1.99 CCCCOC1(CC1)C 7a_100011725673_100000210211 [0,0,0,1,0,0|2,0,1]=4 5389 B9R1.99 CCCNCC1(CC1)C 2230a_100000766693_100000210303 [0,0,0,1,0,0|2,0,1]=4 5390 B9R1.99 CCCNCC1(CC1)O 2230a_100011936951_100000210303 [0,0,0,1,0,0|1,0,2]=4 5391 B9R1.99 CCCOCC1(CC1)C 7a_100000698024_100000210303 [0,0,0,1,0,0|2,0,1]=4 5392 B9R1.99 CCCOCC1(CC1)F 34a_200000703853_100000210303 [0,0,0,1,0,0|2,0,1]=4 5393 B9R1.99 CCCOCC1(CC1)F 7a_200000703853_100000210303 [0,0,0,1,0,0|2,0,1]=4 5394 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [0,0,0,1,0,0|2,0,1]=4 5395 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [0,0,0,1,0,0|2,0,1]=4 5396 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,0,0,1,0,0|2,0,1]=4 5397 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,0,0,1,0,0|2,0,1]=4 5398 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [0,0,0,1,0,0|2,0,1]=4 5399 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [0,0,0,1,0,0|2,0,1]=4 5400 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,0,0,1,0,0|2,0,1]=4 5401 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,0,0,1,0,0|2,0,1]=4 5402 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,0,0,1,0,0|1,0,2]=4 5403 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,0,0,1,0,0|1,0,2]=4 5404 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,1]=4 5405 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,1]=4 5406 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,1]=4 5407 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,1]=4 5408 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,1]=4 5409 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,1]=4 5410 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 5411 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 5412 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 5413 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 5414 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 5415 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 5416 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 5417 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 5418 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,1]=4 5419 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 5420 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 5421 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 5422 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 5423 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 5424 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 5425 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 5426 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 5427 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 5428 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 5429 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 5430 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 5431 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 5432 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 5433 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 5434 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 5435 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 5436 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 5437 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 5438 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,1]=4 5439 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 5440 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|1,0,1]=4 5441 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|1,0,1]=4 5442 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|1,0,1]=4 5443 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|1,0,1]=4 5444 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|1,0,1]=4 5445 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|1,0,1]=4 5446 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|1,0,1]=4 5447 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,1]=4 5448 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,1]=4 5449 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,1]=4 5450 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,1]=4 5451 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 5452 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [2,0,0,0,0,0|2,0,0]=4 5453 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 5454 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 5455 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 5456 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 5457 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 5458 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 5459 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,0]=3 5460 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 5461 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 5462 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 5463 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,0]=3 5464 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,0]=3 5465 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,0]=3 5466 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,0]=3 5467 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,0]=3 5468 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,0]=3 5469 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,0]=3 5470 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 5471 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 5472 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,0]=3 5473 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 5474 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 5475 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 5476 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,0]=3 5477 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,0]=3 5478 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 5479 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 5480 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 5481 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|2,0,0]=4 5482 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|2,0,0]=4 5483 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 5484 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 5485 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,0]=3 5486 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 5487 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 5488 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|2,0,0]=4 5489 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|2,0,0]=4 5490 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 5491 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 5492 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,0]=3 5493 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 5494 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 5495 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|2,0,0]=4 5496 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 5497 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|2,0,0]=4 5498 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|2,0,0]=4 5499 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|2,0,0]=4 5500 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|2,0,0]=4 5501 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 5502 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 5503 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 5504 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|2,0,0]=4 5505 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 5506 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 5507 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|2,0,0]=4 5508 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|2,0,0]=4 5509 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 5510 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 5511 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 5512 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 5513 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 5514 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|2,0,0]=4 5515 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 5516 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 5517 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 5518 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 5519 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 5520 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 5521 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 5522 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 5523 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|2,0,0]=4 5524 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|2,0,0]=4 5525 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|2,0,0]=4 5526 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 5527 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 5528 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 5529 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 5530 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|2,0,0]=4 5531 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|2,0,0]=4 5532 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|2,0,0]=4 5533 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 5534 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|2,0,0]=4 5535 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|2,0,0]=4 5536 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|2,0,0]=4 5537 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|2,0,0]=4 5538 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 5539 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 5540 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|2,0,0]=4 5541 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|2,0,0]=4 5542 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 5543 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 5544 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 5545 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 5546 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 5547 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 5548 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 5549 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 5550 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 5551 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 5552 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 5553 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 5554 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|2,0,0]=4 5555 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|2,0,0]=4 5556 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|2,0,0]=4 5557 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|2,0,0]=4 5558 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|2,0,0]=4 5559 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|2,0,0]=4 5560 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 5561 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 5562 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 5563 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 5564 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 5565 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 5566 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|2,0,0]=4 5567 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 5568 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|2,0,0]=4 5569 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|2,0,0]=4 5570 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 5571 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 5572 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|2,0,0]=4 5573 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|2,0,0]=4 5574 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 5575 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 5576 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|2,0,0]=4 5577 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 5578 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 5579 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 5580 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 5581 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 5582 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 5583 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 5584 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 5585 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|2,0,0]=4 5586 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|2,0,0]=4 5587 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|2,0,0]=4 5588 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|2,0,0]=4 5589 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|2,0,0]=4 5590 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 5591 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|2,0,0]=4 5592 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|2,0,0]=4 5593 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 5594 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|2,0,0]=4 5595 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|2,0,0]=4 5596 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 5597 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 5598 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 5599 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 5600 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 5601 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 5602 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 5603 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|2,0,0]=4 5604 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|2,0,0]=4 5605 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 5606 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 5607 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 5608 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 5609 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 5610 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 5611 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 5612 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 5613 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 5614 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 5615 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 5616 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 5617 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 5618 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 5619 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 5620 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 5621 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 5622 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 5623 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 5624 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 5625 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 5626 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 5627 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 5628 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 5629 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 5630 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 5631 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 5632 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|2,0,0]=4 5633 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 5634 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 5635 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 5636 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 5637 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 5638 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 5639 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 5640 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,2]=4 5641 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 5642 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 5643 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 5644 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,0]=3 5645 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,0]=3 5646 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 5647 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,0]=3 5648 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,0]=3 5649 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,0]=3 5650 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 5651 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 5652 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 5653 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 5654 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 5655 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 5656 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,0]=2 5657 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,0]=2 5658 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,0]=3 5659 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 5660 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 5661 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 5662 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 5663 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 5664 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 5665 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 5666 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|2,0,0]=4 5667 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 5668 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 5669 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|2,0,0]=4 5670 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 5671 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 5672 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 5673 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 5674 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 5675 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 5676 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 5677 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 5678 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 5679 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 5680 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 5681 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 5682 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 5683 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 5684 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 5685 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 5686 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 5687 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 5688 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 5689 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 5690 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 5691 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 5692 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 5693 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 5694 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 5695 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 5696 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 5697 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 5698 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 5699 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 5700 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 5701 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 5702 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 5703 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 5704 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 5705 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|2,0,0]=4 5706 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 5707 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|2,0,0]=4 5708 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|2,0,0]=4 5709 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|2,0,0]=4 5710 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|2,0,0]=4 5711 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|2,0,0]=4 5712 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|2,0,0]=4 5713 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 5714 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|2,0,0]=4 5715 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 5716 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|2,0,0]=4 5717 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 5718 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 5719 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 5720 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 5721 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 5722 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 5723 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 5724 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|2,0,0]=4 5725 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|2,0,0]=4 5726 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|2,0,0]=4 5727 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 5728 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 5729 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 5730 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 5731 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 5732 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 5733 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 5734 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 5735 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 5736 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 5737 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 5738 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 5739 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 5740 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 5741 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 5742 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 5743 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 5744 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 5745 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 5746 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,0]=3 5747 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,0]=3 5748 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 5749 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 5750 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 5751 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 5752 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 5753 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 5754 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 5755 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|2,0,0]=4 5756 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|2,0,0]=4 5757 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 5758 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 5759 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 5760 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 5761 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 5762 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 5763 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 5764 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 5765 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 5766 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 5767 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 5768 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 5769 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 5770 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 5771 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 5772 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 5773 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 5774 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 5775 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 5776 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 5777 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 5778 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 5779 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 5780 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 5781 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 5782 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 5783 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 5784 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 5785 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|2,0,0]=4 5786 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 5787 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 5788 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 5789 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 5790 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|2,0,0]=4 5791 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|2,0,0]=4 5792 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 5793 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 5794 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 5795 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 5796 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 5797 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,0]=3 5798 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,0]=3 5799 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 5800 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 5801 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 5802 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 5803 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 5804 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,0]=3 5805 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 5806 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,0]=3 5807 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,0]=3 5808 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,0]=3 5809 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,0]=3 5810 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 5811 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 5812 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,0]=3 5813 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 5814 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 5815 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 5816 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 5817 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 5818 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 5819 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 5820 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,1,0,0,0,0|1,0,1]=4 5821 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|0,0,2]=4 5822 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [1,1,0,0,0,0|1,0,1]=4 5823 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|0,0,2]=4 5824 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|0,0,2]=4 5825 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|0,0,2]=4 5826 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [1,1,0,0,0,0|1,0,1]=4 5827 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|0,0,2]=4 5828 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,1]=4 5829 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|1,0,1]=4 5830 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|1,0,1]=4 5831 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|1,0,1]=4 5832 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|1,0,1]=4 5833 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 5834 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 5835 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 5836 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 5837 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|1,0,0]=3 5838 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|1,0,0]=3 5839 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,0]=3 5840 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,0]=3 5841 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,0]=3 5842 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 5843 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 5844 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|1,0,0]=3 5845 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|1,0,0]=3 5846 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [1,1,0,0,0,0|2,0,0]=4 5847 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [1,1,0,0,0,0|2,0,0]=4 5848 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,2]=4 5849 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,2]=4 5850 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 5851 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 5852 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 5853 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 5854 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 5855 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 5856 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 5857 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,0]=3 5858 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,0]=3 5859 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,0]=3 5860 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,0]=3 5861 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,0]=3 5862 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,0]=3 5863 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 5864 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 5865 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,0]=3 5866 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,0]=3 5867 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [1,1,0,0,0,0|2,0,0]=4 5868 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [1,1,0,0,0,0|2,0,0]=4 5869 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,1,0,0,0,0|1,0,1]=4 5870 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,1,0,0,0,0|1,0,1]=4 5871 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,1,0,0,0,0|1,0,1]=4 5872 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,1,0,0,0,0|1,0,1]=4 5873 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,1,0,0,0,0|1,0,1]=4 5874 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,1,0,0,0,0|1,0,1]=4 5875 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,1,0,0,0,0|1,0,1]=4 5876 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,1,0,0,0,0|1,0,1]=4 5877 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 5878 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 5879 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [1,1,0,0,0,0|2,0,0]=4 5880 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,1,0,0,0,0|1,0,1]=4 5881 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,1,0,0,0,0|1,0,1]=4 5882 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,1]=4 5883 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 5884 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 5885 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,1,0,0,0,0|1,0,1]=4 5886 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,1,0,0,0,0|1,0,1]=4 5887 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,1]=4 5888 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,1]=4 5889 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,0]=3 5890 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [1,1,0,0,0,0|2,0,0]=4 5891 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [1,1,0,0,0,0|2,0,0]=4 5892 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [1,1,0,0,0,0|2,0,0]=4 5893 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [1,1,0,0,0,0|2,0,0]=4 5894 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 5895 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 5896 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 5897 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 5898 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [1,1,0,0,0,0|2,0,0]=4 5899 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,1,0,0,0,0|2,0,0]=4 5900 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,1,0,0,0,0|2,0,0]=4 5901 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|2,0,0]=4 5902 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 5903 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 5904 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 5905 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 5906 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|2,0,0]=4 5907 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,1,0,0,0,0|2,0,0]=4 5908 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,1,0,0,0,0|2,0,0]=4 5909 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,1,0,0,0,0|1,0,1]=4 5910 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,1,0,0,0,0|1,0,1]=4 5911 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,1,0,0,0,0|1,0,1]=4 5912 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,1,0,0,0,0|1,0,1]=4 5913 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,1,0,0,0,0|1,0,1]=4 5914 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,1,0,0,0,0|1,0,1]=4 5915 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,1,0,0,0,0|1,0,1]=4 5916 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,1,0,0,0,0|1,0,1]=4 5917 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,1,0,0,0,0|1,0,1]=4 5918 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,1,0,0,0,0|1,0,1]=4 5919 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,1,0,0,0,0|1,0,1]=4 5920 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,1,0,0,0,0|1,0,1]=4 5921 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,1,0,0,0,0|1,0,1]=4 5922 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,1,0,0,0,0|1,0,1]=4 5923 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|0,0,1]=3 5924 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,1,0,0,0,0|1,0,1]=4 5925 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,1,0,0,0,0|1,0,1]=4 5926 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|1,0,1]=4 5927 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|0,0,1]=3 5928 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,1,0,0,0,0|1,0,1]=4 5929 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,1,0,0,0,0|1,0,1]=4 5930 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 5931 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|0,0,1]=3 5932 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 5933 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,1,0,0,0,0|1,0,1]=4 5934 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,1,0,0,0,0|1,0,1]=4 5935 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,1,0,0,0,0|1,0,1]=4 5936 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,1,0,0,0,0|1,0,1]=4 5937 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,1,0,0,0,0|1,0,1]=4 5938 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|1,0,1]=4 5939 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|1,0,1]=4 5940 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 5941 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|1,0,1]=4 5942 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 5943 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|0,0,1]=3 5944 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|0,0,1]=3 5945 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,1,0,0,0,0|1,0,1]=4 5946 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,1,0,0,0,0|1,0,1]=4 5947 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,1,0,0,0,0|1,0,1]=4 5948 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,1,0,0,0,0|1,0,1]=4 5949 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|1,0,1]=4 5950 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|1,0,1]=4 5951 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|1,0,1]=4 5952 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|1,0,1]=4 5953 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|1,0,1]=4 5954 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|1,0,1]=4 5955 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|1,0,1]=4 5956 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|1,0,1]=4 5957 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|1,0,1]=4 5958 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|1,0,1]=4 5959 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|1,0,1]=4 5960 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|1,0,1]=4 5961 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|1,0,1]=4 5962 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|1,0,1]=4 5963 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|1,0,1]=4 5964 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|1,0,1]=4 5965 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|1,0,1]=4 5966 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|1,0,1]=4 5967 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|1,0,1]=4 5968 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|1,0,1]=4 5969 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|1,0,1]=4 5970 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,1,0,0,0,0|0,0,2]=4 5971 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,1,0,0,0,0|0,0,2]=4 5972 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,1,0,0,0,0|0,0,2]=4 5973 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,1,0,0,0,0|0,0,2]=4 5974 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,1,0,0,0,0|0,0,2]=4 5975 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 5976 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,1,0,0,0,0|0,0,2]=4 5977 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 5978 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,1,0,0,0,0|0,0,2]=4 5979 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,1,0,0,0,0|0,0,2]=4 5980 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|0,0,1]=3 5981 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|0,0,1]=3 5982 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|0,0,1]=3 5983 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|0,0,1]=3 5984 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|0,0,1]=3 5985 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|0,0,1]=3 5986 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|0,0,1]=3 5987 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|0,0,1]=3 5988 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,1,0,0,0,0|1,0,1]=4 5989 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,1,0,0,0,0|1,0,1]=4 5990 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|0,0,1]=3 5991 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|0,0,1]=3 5992 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,1,0,0,0,0|1,0,1]=4 5993 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,1,0,0,0,0|1,0,1]=4 5994 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,1,0,0,0,0|1,0,1]=4 5995 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,1,0,0,0,0|1,0,1]=4 5996 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,1,0,0,0,0|1,0,1]=4 5997 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,1,0,0,0,0|1,0,1]=4 5998 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|0,0,1]=3 5999 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|0,0,1]=3 6000 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,1,0,0,0,0|1,0,1]=4 6001 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,1,0,0,0,0|1,0,1]=4 6002 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,1,0,0,0,0|1,0,1]=4 6003 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,1,0,0,0,0|1,0,1]=4 6004 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|0,0,1]=3 6005 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|0,0,1]=3 6006 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,1,0,0,0,0|1,0,1]=4 6007 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,1,0,0,0,0|1,0,1]=4 6008 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,1,0,0,0,0|1,0,1]=4 6009 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,1,0,0,0,0|1,0,1]=4 6010 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,1,0,0,0,0|1,0,1]=4 6011 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,1,0,0,0,0|1,0,1]=4 6012 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,1,0,0,0,0|1,0,1]=4 6013 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,1,0,0,0,0|1,0,1]=4 6014 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,1,0,0,0,0|1,0,1]=4 6015 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,1]=3 6016 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,0,1]=4 6017 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|0,0,1]=3 6018 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|0,0,1]=3 6019 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 6020 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 6021 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|1,0,1]=4 6022 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|1,0,1]=4 6023 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,1,0,0,0,0|1,0,1]=4 6024 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 6025 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 6026 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,1,0,0,0,0|1,0,1]=4 6027 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,1,0,0,0,0|1,0,1]=4 6028 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,1,0,0,0,0|1,0,1]=4 6029 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|1,0,1]=4 6030 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 6031 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 6032 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|0,0,1]=3 6033 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|0,0,1]=3 6034 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,1,0,0,0,0|1,0,1]=4 6035 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,1,0,0,0,0|1,0,1]=4 6036 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,1,0,0,0,0|1,0,1]=4 6037 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,1,0,0,0,0|1,0,1]=4 6038 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|1,0,1]=4 6039 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|1,0,1]=4 6040 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|1,0,1]=4 6041 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|1,0,1]=4 6042 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|1,0,1]=4 6043 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|1,0,1]=4 6044 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|1,0,1]=4 6045 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,1,0,0,0,0|0,0,2]=4 6046 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,1,0,0,0,0|0,0,2]=4 6047 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,1,0,0,0,0|0,0,2]=4 6048 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,1,0,0,0,0|0,0,2]=4 6049 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,1,0,0,0,0|0,0,2]=4 6050 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,1,0,0,0,0|0,0,2]=4 6051 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 6052 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 6053 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,1,0,0,0,0|1,0,0]=3 6054 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,1,0,0,0,0|1,0,1]=4 6055 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,1,0,0,0,0|1,0,1]=4 6056 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 6057 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 6058 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 6059 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 6060 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,1,0,0,0,0|2,0,0]=4 6061 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [1,1,0,0,0,0|0,0,2]=4 6062 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [1,1,0,0,0,0|0,0,2]=4 6063 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [1,1,0,0,0,0|0,0,2]=4 6064 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [1,1,0,0,0,0|0,0,2]=4 6065 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,1,0,0,0,0|1,0,1]=4 6066 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|0,0,1]=3 6067 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|0,0,1]=3 6068 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|0,0,1]=3 6069 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|0,0,1]=3 6070 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|0,0,1]=3 6071 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|0,0,1]=3 6072 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|0,0,1]=3 6073 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|0,0,1]=3 6074 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|0,0,1]=3 6075 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|0,0,1]=3 6076 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|0,0,1]=3 6077 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|0,0,1]=3 6078 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|0,0,1]=3 6079 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|0,0,1]=3 6080 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,1,0,0,0,0|0,0,1]=3 6081 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,1,0,0,0,0|0,0,1]=3 6082 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|0,0,1]=3 6083 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|0,0,1]=3 6084 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|0,0,1]=3 6085 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,1,0,0,0,0|1,0,1]=4 6086 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,1,0,0,0,0|1,0,1]=4 6087 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|0,0,1]=3 6088 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|0,0,1]=3 6089 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,1]=4 6090 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,1]=4 6091 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,1,0,0,0,0|1,0,1]=4 6092 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|1,0,1]=4 6093 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,1,0,0,0,0|0,0,1]=3 6094 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,1,0,0,0,0|1,0,0]=3 6095 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,1,0,0,0,0|1,0,0]=3 6096 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,1,0,0,0,0|1,0,0]=3 6097 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,1,0,0,0,0|1,0,0]=3 6098 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,1,0,0,0,0|1,0,0]=3 6099 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,1,0,0,0,0|1,0,0]=3 6100 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|1,0,0]=3 6101 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,1,0,0,0,0|1,0,1]=4 6102 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|1,0,1]=4 6103 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|1,0,1]=4 6104 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,0]=3 6105 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|0,0,1]=3 6106 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|0,0,1]=3 6107 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|0,0,1]=3 6108 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,0]=3 6109 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,0]=3 6110 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,0]=3 6111 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|1,0,0]=3 6112 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|1,0,0]=3 6113 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,0]=3 6114 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,1,0,0,0,0|1,0,1]=4 6115 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,1,0,0,0,0|1,0,1]=4 6116 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|1,0,1]=4 6117 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|1,0,1]=4 6118 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,1,0,0,0,0|0,0,1]=3 6119 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,1,0,0,0,0|0,0,1]=3 6120 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,1,0,0,0,0|1,0,0]=3 6121 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,1,0,0,0,0|1,0,0]=3 6122 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,1,0,0,0,0|1,0,0]=3 6123 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,1,0,0,0,0|1,0,0]=3 6124 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,1,0,0,0,0|1,0,0]=3 6125 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,1,0,0,0,0|1,0,0]=3 6126 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|1,0,0]=3 6127 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|1,0,0]=3 6128 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,1,0,0,0,0|0,0,1]=3 6129 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,1,0,0,0,0|0,0,1]=3 6130 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,1,0,0,0,0|1,0,1]=4 6131 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,1,0,0,0,0|1,0,1]=4 6132 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,1,0,0,0,0|1,0,1]=4 6133 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,1,0,0,0,0|1,0,1]=4 6134 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,1,0,0,0,0|1,0,1]=4 6135 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,1,0,0,0,0|1,0,1]=4 6136 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|1,0,1]=4 6137 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|1,0,1]=4 6138 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|1,0,1]=4 6139 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,1]=4 6140 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,1]=4 6141 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,1]=4 6142 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,1,0,0,0,0|1,0,1]=4 6143 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,1,0,0,0,0|0,0,1]=3 6144 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,1,0,0,0,0|0,0,1]=3 6145 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,1,0,0,0,0|1,0,1]=4 6146 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,1,0,0,0,0|1,0,1]=4 6147 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,1,0,0,0,0|1,0,1]=4 6148 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,1,0,0,0,0|1,0,1]=4 6149 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,1,0,0,0,0|1,0,1]=4 6150 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,1,0,0,0,0|1,0,1]=4 6151 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,1,0,0,0,0|1,0,1]=4 6152 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,1,0,0,0,0|1,0,1]=4 6153 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,1,0,0,0,0|1,0,1]=4 6154 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,1,0,0,0,0|1,0,1]=4 6155 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|1,0,1]=4 6156 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|1,0,1]=4 6157 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|1,0,1]=4 6158 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|1,0,1]=4 6159 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|1,0,1]=4 6160 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|1,0,1]=4 6161 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|1,0,1]=4 6162 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|1,0,1]=4 6163 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 6164 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|1,0,1]=4 6165 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|1,0,1]=4 6166 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|1,0,1]=4 6167 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 6168 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|1,0,1]=4 6169 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|1,0,1]=4 6170 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|1,0,1]=4 6171 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,1,0,0,0,0|1,0,0]=3 6172 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,1,0,0,0,0|1,0,0]=3 6173 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,1,0,0,0,0|1,0,0]=3 6174 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,1,0,0,0,0|1,0,0]=3 6175 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,1,0,0,0,0|2,0,0]=4 6176 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,1,0,0,0,0|2,0,0]=4 6177 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,1,0,0,0,0|0,0,1]=3 6178 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,1,0,0,0,0|1,0,1]=4 6179 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,1,0,0,0,0|1,0,1]=4 6180 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,1,0,0,0,0|1,0,1]=4 6181 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,1,0,0,0,0|1,0,1]=4 6182 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,1,0,0,0,0|1,0,1]=4 6183 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,1,0,0,0,0|1,0,1]=4 6184 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|1,0,1]=4 6185 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|1,0,1]=4 6186 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|1,0,1]=4 6187 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|1,0,1]=4 6188 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|1,0,1]=4 6189 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|1,0,1]=4 6190 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|1,0,1]=4 6191 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|1,0,1]=4 6192 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,1,0,0,0,0|1,0,0]=3 6193 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,1,0,0,0,0|1,0,0]=3 6194 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 6195 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 6196 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|1,0,1]=4 6197 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,1]=4 6198 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,1,0,0,0,0|1,0,0]=3 6199 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,1,0,0,0,0|1,0,0]=3 6200 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,1,0,0,0,0|1,0,0]=3 6201 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,1,0,0,0,0|1,0,1]=4 6202 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 6203 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 6204 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,1,0,0,0,0|1,0,1]=4 6205 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,1,0,0,0,0|1,0,1]=4 6206 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,1,0,0,0,0|1,0,1]=4 6207 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,1,0,0,0,0|1,0,1]=4 6208 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 6209 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,1,0,0,0,0|1,0,1]=4 6210 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 6211 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 6212 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 6213 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 6214 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 6215 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|1,0,1]=4 6216 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|1,0,1]=4 6217 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|1,0,1]=4 6218 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|1,0,1]=4 6219 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,1,0,0,0,0|1,0,0]=3 6220 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,1,0,0,0,0|1,0,0]=3 6221 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,1,0,0,0,0|1,0,0]=3 6222 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,1,0,0,0,0|2,0,0]=4 6223 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,1,0,0,0,0|1,0,0]=3 6224 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,1,0,0,0,0|1,0,0]=3 6225 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,1,0,0,0,0|1,0,0]=3 6226 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,1,0,0,0,0|1,0,0]=3 6227 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,1,0,0,0,0|1,0,0]=3 6228 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,1,0,0,0,0|1,0,0]=3 6229 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,1,0,0,0,0|2,0,0]=4 6230 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,1,0,0,0,0|2,0,0]=4 6231 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,1,0,0,0,0|1,0,0]=3 6232 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,1,0,0,0,0|1,0,0]=3 6233 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,1,0,0,0,0|1,0,0]=3 6234 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,1,0,0,0,0|1,0,0]=3 6235 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,1,0,0,0,0|1,0,0]=3 6236 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,1,0,0,0,0|2,0,0]=4 6237 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,1,0,0,0,0|2,0,0]=4 6238 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,1,0,0,0,0|1,0,1]=4 6239 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,1,0,0,0,0|1,0,1]=4 6240 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,1,0,0,0,0|1,0,1]=4 6241 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 6242 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|1,0,1]=4 6243 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|1,0,1]=4 6244 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,1,0,0,0,0|1,0,0]=3 6245 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,1,0,0,0,0|1,0,0]=3 6246 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,1,0,0,0,0|1,0,0]=3 6247 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,1,0,0,0,0|1,0,0]=3 6248 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,1,0,0,0,0|1,0,0]=3 6249 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,1,0,0,0,0|2,0,0]=4 6250 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,1,0,0,0,0|2,0,0]=4 6251 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,1,0,0,0,0|1,0,0]=3 6252 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,1,0,0,0,0|1,0,0]=3 6253 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,1,0,0,0,0|1,0,1]=4 6254 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|1,0,1]=4 6255 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,1,0,0,0,0|1,0,0]=3 6256 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,1,0,0,0,0|1,0,0]=3 6257 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,1,0,0,0,0|1,0,0]=3 6258 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,0]=3 6259 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,1,0,0,0,0|1,0,0]=3 6260 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,1,0,0,0,0|1,0,0]=3 6261 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,1,0,0,0,0|1,0,0]=3 6262 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,1,0,0,0,0|1,0,0]=3 6263 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,1,0,0,0,0|2,0,0]=4 6264 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,1,0,0,0,0|2,0,0]=4 6265 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,1,0,0,0,0|2,0,0]=4 6266 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,1,0,0,0,0|2,0,0]=4 6267 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,1,0,0,0,0|2,0,0]=4 6268 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,0]=3 6269 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,0]=3 6270 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,0]=3 6271 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,0]=3 6272 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,0]=3 6273 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,0]=3 6274 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,0]=3 6275 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,0]=3 6276 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|1,0,0]=3 6277 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|1,0,0]=3 6278 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|1,0,0]=3 6279 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|1,0,0]=3 6280 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|1,0,0]=3 6281 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,1,0,0,0,0|2,0,0]=4 6282 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,1,0,0,0,0|1,0,0]=3 6283 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,1,0,0,0,0|1,0,0]=3 6284 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,1,0,0,0,0|1,0,0]=3 6285 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,1,0,0,0,0|2,0,0]=4 6286 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,1,0,0,0,0|2,0,0]=4 6287 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,1,0,0,0,0|1,0,0]=3 6288 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,1,0,0,0,0|1,0,0]=3 6289 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,1,0,0,0,0|1,0,0]=3 6290 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,1,0,0,0,0|1,0,0]=3 6291 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,1,0,0,0,0|2,0,0]=4 6292 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,1,0,0,0,0|2,0,0]=4 6293 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,1,0,0,0,0|2,0,0]=4 6294 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,1,0,0,0,0|2,0,0]=4 6295 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,1,0,0,0,0|2,0,0]=4 6296 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,1,0,0,0,0|2,0,0]=4 6297 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,1,0,0,0,0|2,0,0]=4 6298 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,1,0,0,0,0|2,0,0]=4 6299 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,1,0,0,0,0|2,0,0]=4 6300 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,1,0,0,0,0|2,0,0]=4 6301 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,1,0,0,0,0|2,0,0]=4 6302 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,1,0,0,0,0|2,0,0]=4 6303 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,1,0,0,0,0|2,0,0]=4 6304 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,1,0,0,0,0|2,0,0]=4 6305 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,1,0,0,0,0|2,0,0]=4 6306 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,1,0,0,0,0|2,0,0]=4 6307 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,1,0,0,0,0|2,0,0]=4 6308 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,1,0,0,0,0|2,0,0]=4 6309 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,1,0,0,0,0|2,0,0]=4 6310 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,1,0,0,0,0|2,0,0]=4 6311 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,1,0,0,0,0|2,0,0]=4 6312 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,1,0,0,0,0|2,0,0]=4 6313 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,1,0,0,0,0|2,0,0]=4 6314 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,1,0,0,0,0|2,0,0]=4 6315 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,1,0,0,0,0|2,0,0]=4 6316 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,1,0,0,0,0|2,0,0]=4 6317 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,1,0,0,0,0|2,0,0]=4 6318 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,1,0,0,0,0|2,0,0]=4 6319 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,1,0,0,0,0|2,0,0]=4 6320 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,1,0,0,0,0|2,0,0]=4 6321 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,1,0,0,0,0|2,0,0]=4 6322 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,1,0,0,0,0|2,0,0]=4 6323 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,1,0,0,0,0|2,0,0]=4 6324 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,1,0,0,0,0|2,0,0]=4 6325 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,1,0,0,0,0|2,0,0]=4 6326 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,1,0,0,0,0|2,0,0]=4 6327 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,1,0,0,0,0|2,0,0]=4 6328 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,1,0,0,0,0|2,0,0]=4 6329 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,1,0,0,0,0|2,0,0]=4 6330 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,1,0,0,0,0|2,0,0]=4 6331 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,1,0,0,0,0|2,0,0]=4 6332 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,1,0,0,0,0|2,0,0]=4 6333 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,1,0,0,0,0|2,0,0]=4 6334 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,1,0,0,0,0|2,0,0]=4 6335 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,1,0,0,0,0|2,0,0]=4 6336 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [1,1,0,0,0,0|2,0,0]=4 6337 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,1,0,0,0,0|1,0,1]=4 6338 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,1,0,0,0,0|1,0,1]=4 6339 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|1,0,1]=4 6340 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|1,0,1]=4 6341 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,1,0,0,0,0|1,0,0]=3 6342 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,1,0,0,0,0|1,0,0]=3 6343 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,1,0,0,0,0|1,0,0]=3 6344 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,1,0,0,0,0|1,0,0]=3 6345 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|1,0,0]=3 6346 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|1,0,0]=3 6347 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,1,0,0,0,0|2,0,0]=4 6348 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,1,0,0,0,0|2,0,0]=4 6349 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,1,0,0,0,0|2,0,0]=4 6350 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,1,0,0,0,0|2,0,0]=4 6351 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,1,0,0,0,0|2,0,0]=4 6352 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,1,0,0,0,0|2,0,0]=4 6353 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,1,0,0,0,0|2,0,0]=4 6354 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,1,0,0,0,0|2,0,0]=4 6355 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,1,0,0,0,0|2,0,0]=4 6356 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,1,0,0,0,0|2,0,0]=4 6357 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,1,0,0,0,0|2,0,0]=4 6358 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,1,0,0,0,0|2,0,0]=4 6359 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,1,0,0,0,0|2,0,0]=4 6360 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,1,0,0,0,0|2,0,0]=4 6361 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,1,0,0,0,0|2,0,0]=4 6362 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,1,0,0,0,0|2,0,0]=4 6363 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,1,0,0,0,0|2,0,0]=4 6364 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,1,0,0,0,0|2,0,0]=4 6365 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,1,0,0,0,0|2,0,0]=4 6366 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,1,0,0,0,0|2,0,0]=4 6367 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,1,0,0,0,0|2,0,0]=4 6368 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,1,0,0,0,0|2,0,0]=4 6369 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,1,0,0,0,0|2,0,0]=4 6370 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,1,0,0,0,0|2,0,0]=4 6371 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,1,0,0,0,0|2,0,0]=4 6372 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,1,0,0,0,0|2,0,0]=4 6373 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,1,0,0,0,0|2,0,0]=4 6374 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,1,0,0,0,0|2,0,0]=4 6375 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 6376 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,1,0,0,0,0|1,0,1]=4 6377 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 6378 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 6379 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,1,0,0,0,0|1,0,1]=4 6380 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 6381 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,1,0,0,0,0|1,0,1]=4 6382 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,1,0,0,0,0|1,0,1]=4 6383 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|1,0,1]=4 6384 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 6385 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|1,0,1]=4 6386 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 6387 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,1,0,0,0,0|2,0,0]=4 6388 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|2,0,0]=4 6389 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,1,0,0,0,0|2,0,0]=4 6390 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 6391 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 6392 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 6393 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 6394 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 6395 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|1,0,1]=4 6396 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 6397 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 6398 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|1,0,1]=4 6399 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|1,0,1]=4 6400 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|1,0,1]=4 6401 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,1,0,0,0,0|2,0,0]=4 6402 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,1,0,0,0,0|2,0,0]=4 6403 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,1,0,0,0,0|2,0,0]=4 6404 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,1,0,0,0,0|2,0,0]=4 6405 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,1,0,0,0,0|2,0,0]=4 6406 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,1,0,0,0,0|2,0,0]=4 6407 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,1,0,0,0,0|2,0,0]=4 6408 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,1,0,0,0,0|2,0,0]=4 6409 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,1,0,0,0,0|2,0,0]=4 6410 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,1,0,0,0,0|2,0,0]=4 6411 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,1,0,0,0,0|2,0,0]=4 6412 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|2,0,0]=4 6413 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|2,0,0]=4 6414 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|2,0,0]=4 6415 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,1,0,0,0,0|2,0,0]=4 6416 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,1,0,0,0,0|2,0,0]=4 6417 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,1,0,0,0,0|2,0,0]=4 6418 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,1,0,0,0,0|2,0,0]=4 6419 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,1,0,0,0,0|2,0,0]=4 6420 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,1,0,0,0,0|2,0,0]=4 6421 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,1,0,0,0,0|2,0,0]=4 6422 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,1,0,0,0,0|2,0,0]=4 6423 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,1,0,0,0,0|2,0,0]=4 6424 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,1,0,0,0,0|2,0,0]=4 6425 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,1,0,0,0,0|2,0,0]=4 6426 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,1,0,0,0,0|2,0,0]=4 6427 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,1,0,0,0,0|2,0,0]=4 6428 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,1,0,0,0,0|2,0,0]=4 6429 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,1]=4 6430 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,1]=4 6431 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 6432 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|1,0,1]=4 6433 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,1,0,0,0,0|2,0,0]=4 6434 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,1,0,0,0,0|2,0,0]=4 6435 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,1,0,0,0,0|2,0,0]=4 6436 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,1,0,0,0,0|2,0,0]=4 6437 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,1,0,0,0,0|2,0,0]=4 6438 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 6439 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 6440 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|2,0,0]=4 6441 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|2,0,0]=4 6442 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,1,0,0,0,0|2,0,0]=4 6443 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 6444 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 6445 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,1,0,0,0,0|2,0,0]=4 6446 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,1,0,0,0,0|2,0,0]=4 6447 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,1,0,0,0,0|2,0,0]=4 6448 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,1,0,0,0,0|2,0,0]=4 6449 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 6450 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,1,0,0,0,0|2,0,0]=4 6451 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,1,0,0,0,0|2,0,0]=4 6452 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,1,0,0,0,0|2,0,0]=4 6453 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,1,0,0,0,0|2,0,0]=4 6454 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,1,0,0,0,0|2,0,0]=4 6455 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,1,0,0,0,0|2,0,0]=4 6456 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,1,0,0,0,0|2,0,0]=4 6457 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,1,0,0,0,0|2,0,0]=4 6458 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,1,0,0,0,0|2,0,0]=4 6459 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,1,0,0,0,0|2,0,0]=4 6460 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,1,0,0,0,0|2,0,0]=4 6461 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,1,0,0,0,0|2,0,0]=4 6462 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,1,0,0,0,0|2,0,0]=4 6463 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,1,0,0,0,0|2,0,0]=4 6464 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,1,0,0,0,0|2,0,0]=4 6465 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,1,0,0,0,0|2,0,0]=4 6466 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,1,0,0,0,0|2,0,0]=4 6467 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,1,0,0,0,0|2,0,0]=4 6468 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 6469 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 6470 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,1,0,0,0,0|2,0,0]=4 6471 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,1,0,0,0,0|2,0,0]=4 6472 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,1,0,0,0,0|2,0,0]=4 6473 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|2,0,0]=4 6474 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|2,0,0]=4 6475 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,1,0,0,0,0|2,0,0]=4 6476 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,1,0,0,0,0|2,0,0]=4 6477 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,1,0,0,0,0|2,0,0]=4 6478 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 6479 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,1,0,0,0,0|2,0,0]=4 6480 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,1,0,0,0,0|2,0,0]=4 6481 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,1,0,0,0,0|2,0,0]=4 6482 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|2,0,0]=4 6483 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,1,0,0,0,0|2,0,0]=4 6484 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,1,0,0,0,0|2,0,0]=4 6485 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|2,0,0]=4 6486 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,1,0,0,0,0|2,0,0]=4 6487 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,1,0,0,0,0|2,0,0]=4 6488 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,1,0,0,0,0|2,0,0]=4 6489 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,1,0,0,0,0|2,0,0]=4 6490 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,1,0,0,0,0|2,0,0]=4 6491 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,1,0,0,0,0|2,0,0]=4 6492 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,1,0,0,0,0|2,0,0]=4 6493 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,1,0,0,0,0|2,0,0]=4 6494 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,1,0,0,0,0|2,0,0]=4 6495 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,1,0,0,0,0|2,0,0]=4 6496 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,1,0,0,0,0|2,0,0]=4 6497 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,1,0,0,0,0|2,0,0]=4 6498 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,1,0,0,0,0|2,0,0]=4 6499 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,1,0,0,0,0|2,0,0]=4 6500 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,1,0,0,0,0|2,0,0]=4 6501 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,1,0,0,0,0|2,0,0]=4 6502 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 6503 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 6504 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 6505 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 6506 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 6507 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 6508 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 6509 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 6510 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 6511 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,1]=4 6512 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,1]=4 6513 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 6514 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|1,0,1]=4 6515 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|1,0,1]=4 6516 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,1,0,0,0,0|1,0,1]=4 6517 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,1,0,0,0,0|1,0,1]=4 6518 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [1,1,0,0,0,0|1,0,1]=4 6519 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|1,0,1]=4 6520 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|1,0,1]=4 6521 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [1,1,0,0,0,0|1,0,1]=4 6522 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,1,0,0,0,0|1,0,1]=4 6523 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [1,1,0,0,0,0|1,0,1]=4 6524 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [1,1,0,0,0,0|1,0,1]=4 6525 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,1,0,0,0,0|1,0,1]=4 6526 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|1,0,1]=4 6527 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|1,0,1]=4 6528 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,1,0,0,0,0|1,0,1]=4 6529 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,1,0,0,0,0|1,0,1]=4 6530 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,1,0,0,0,0|1,0,1]=4 6531 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,1,0,0,0,0|1,0,1]=4 6532 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 6533 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 6534 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 6535 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 6536 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,1,0,0,0,0|2,0,0]=4 6537 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 6538 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 6539 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,1,0,0,0,0|2,0,0]=4 6540 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,1,0,0,0,0|2,0,0]=4 6541 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,1,0,0,0,0|2,0,0]=4 6542 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,1,0,0,0,0|2,0,0]=4 6543 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,1,0,0,0,0|2,0,0]=4 6544 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,1,0,0,0,0|2,0,0]=4 6545 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,1,0,0,0,0|2,0,0]=4 6546 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,1,0,0,0,0|2,0,0]=4 6547 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|2,0,0]=4 6548 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,1,0,0,0,0|2,0,0]=4 6549 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 6550 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 6551 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,1,0,0,0,0|2,0,0]=4 6552 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,1,0,0,0,0|2,0,0]=4 6553 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,1,0,0,0,0|2,0,0]=4 6554 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,1,0,0,0,0|2,0,0]=4 6555 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,1,0,0,0,0|2,0,0]=4 6556 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|2,0,0]=4 6557 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,1,0,0,0,0|2,0,0]=4 6558 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,1,0,0,0,0|2,0,0]=4 6559 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,1,0,0,0,0|2,0,0]=4 6560 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,1,0,0,0,0|2,0,0]=4 6561 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,1,0,0,0,0|2,0,0]=4 6562 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 6563 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [1,1,0,0,0,0|2,0,0]=4 6564 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [1,1,0,0,0,0|2,0,0]=4 6565 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|0,0,2]=4 6566 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,1,0,0,0,0|1,0,1]=4 6567 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,1,0,0,0,0|1,0,1]=4 6568 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,1,0,0,0,0|1,0,1]=4 6569 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,1,0,0,0,0|1,0,1]=4 6570 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|1,0,1]=4 6571 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|1,0,1]=4 6572 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|1,0,1]=4 6573 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|1,0,1]=4 6574 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,1,0,0,0,0|1,0,1]=4 6575 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,1,0,0,0,0|1,0,1]=4 6576 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,1,0,0,0,0|1,0,1]=4 6577 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,1,0,0,0,0|1,0,1]=4 6578 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [1,1,0,0,0,0|1,0,1]=4 6579 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|1,0,1]=4 6580 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [1,1,0,0,0,0|1,0,1]=4 6581 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [1,1,0,0,0,0|1,0,1]=4 6582 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [1,1,0,0,0,0|1,0,1]=4 6583 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|1,0,1]=4 6584 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|1,0,1]=4 6585 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,1,0,0,0,0|1,0,1]=4 6586 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,1,0,0,0,0|1,0,1]=4 6587 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,1,0,0,0,0|1,0,1]=4 6588 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,1,0,0,0,0|1,0,1]=4 6589 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [1,1,0,0,0,0|2,0,0]=4 6590 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|0,0,2]=4 6591 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|0,0,2]=4 6592 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,2]=4 6593 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,2]=4 6594 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,2]=4 6595 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,1]=4 6596 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 6597 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,1]=4 6598 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 6599 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 6600 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 6601 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 6602 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 6603 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 6604 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 6605 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|1,0,0]=3 6606 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|1,0,0]=3 6607 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|1,0,0]=3 6608 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,0]=3 6609 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,0]=3 6610 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,0]=3 6611 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|1,0,0]=3 6612 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|1,0,0]=3 6613 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|1,0,1]=4 6614 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|1,0,1]=4 6615 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|1,0,1]=4 6616 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|1,0,1]=4 6617 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|1,0,1]=4 6618 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 6619 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 6620 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 6621 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 6622 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 6623 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 6624 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 6625 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|1,0,1]=4 6626 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|1,0,1]=4 6627 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|1,0,1]=4 6628 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,1,0,0,0,0|1,0,1]=4 6629 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 6630 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 6631 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 6632 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,1,0,0,0,0|1,0,1]=4 6633 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 6634 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 6635 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|1,0,1]=4 6636 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|1,0,1]=4 6637 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 6638 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 6639 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 6640 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 6641 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|1,0,1]=4 6642 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|1,0,1]=4 6643 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 6644 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [1,1,0,0,0,0|2,0,0]=4 6645 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|1,0,1]=4 6646 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|1,0,1]=4 6647 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 6648 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|1,0,1]=4 6649 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|1,0,1]=4 6650 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|1,0,1]=4 6651 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 6652 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 6653 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|2,0,0]=4 6654 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|1,0,1]=4 6655 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|1,0,1]=4 6656 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|1,0,1]=4 6657 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|1,0,1]=4 6658 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,1]=4 6659 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,1]=4 6660 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,1,0,0,0,0|2,0,0]=4 6661 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,1,0,0,0,0|2,0,0]=4 6662 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|1,0,1]=4 6663 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|1,0,0]=3 6664 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|1,0,0]=3 6665 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|1,0,0]=3 6666 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,0]=3 6667 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 6668 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,1,0,0,0,0|2,0,0]=4 6669 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,1,0,0,0,0|2,0,0]=4 6670 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,1,0,0,0,0|2,0,0]=4 6671 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,1,0,0,0,0|2,0,0]=4 6672 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,1,0,0,0,0|2,0,0]=4 6673 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,1,0,0,0,0|2,0,0]=4 6674 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|1,0,1]=4 6675 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,1]=4 6676 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 6677 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,1]=4 6678 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 6679 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,0]=3 6680 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,0]=3 6681 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,0]=3 6682 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,0]=3 6683 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,1,0,0,0,0|2,0,0]=4 6684 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,1,0,0,0,0|2,0,0]=4 6685 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,1,0,0,0,0|2,0,0]=4 6686 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,1,0,0,0,0|2,0,0]=4 6687 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,1,0,0,0,0|2,0,0]=4 6688 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,1,0,0,0,0|2,0,0]=4 6689 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,1,0,0,0,0|2,0,0]=4 6690 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,1,0,0,0,0|2,0,0]=4 6691 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,1,0,0,0,0|2,0,0]=4 6692 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,1,0,0,0,0|2,0,0]=4 6693 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,1,0,0,0,0|2,0,0]=4 6694 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,1,0,0,0,0|2,0,0]=4 6695 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,1,0,0,0,0|2,0,0]=4 6696 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,1,0,0,0,0|2,0,0]=4 6697 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,1,0,0,0,0|2,0,0]=4 6698 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,1,0,0,0,0|2,0,0]=4 6699 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,1,0,0,0,0|2,0,0]=4 6700 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,1,0,0,0,0|2,0,0]=4 6701 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,1,0,0,0,0|2,0,0]=4 6702 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,1,0,0,0,0|2,0,0]=4 6703 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,1,0,0,0,0|2,0,0]=4 6704 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,1,0,0,0,0|2,0,0]=4 6705 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,1,0,0,0,0|2,0,0]=4 6706 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,1,0,0,0,0|2,0,0]=4 6707 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|1,0,1]=4 6708 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|1,0,1]=4 6709 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,1]=4 6710 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,1]=4 6711 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|1,0,0]=3 6712 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|1,0,0]=3 6713 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,0]=3 6714 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,0]=3 6715 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,1,0,0,0,0|2,0,0]=4 6716 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,1,0,0,0,0|2,0,0]=4 6717 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,1,0,0,0,0|2,0,0]=4 6718 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,1,0,0,0,0|2,0,0]=4 6719 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,1,0,0,0,0|2,0,0]=4 6720 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,1,0,0,0,0|2,0,0]=4 6721 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,1,0,0,0,0|2,0,0]=4 6722 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,1,0,0,0,0|2,0,0]=4 6723 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,1,0,0,0,0|2,0,0]=4 6724 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,1,0,0,0,0|2,0,0]=4 6725 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,1,0,0,0,0|2,0,0]=4 6726 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,1,0,0,0,0|2,0,0]=4 6727 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,1,0,0,0,0|2,0,0]=4 6728 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 6729 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 6730 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 6731 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,1,0,0,0,0|2,0,0]=4 6732 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,1,0,0,0,0|2,0,0]=4 6733 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,1,0,0,0,0|2,0,0]=4 6734 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 6735 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,1]=4 6736 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 6737 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 6738 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|2,0,0]=4 6739 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 6740 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|2,0,0]=4 6741 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|2,0,0]=4 6742 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|2,0,0]=4 6743 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|2,0,0]=4 6744 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|2,0,0]=4 6745 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 6746 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 6747 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|2,0,0]=4 6748 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 6749 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 6750 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|0,0,2]=4 6751 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|0,0,2]=4 6752 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [1,1,0,0,0,0|0,0,2]=4 6753 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|2,0,0]=4 6754 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,1,0,0,0,0|0,0,2]=4 6755 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [1,1,0,0,0,0|1,0,1]=4 6756 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,0,0]=3 6757 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|1,0,0]=3 6758 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|1,0,0]=3 6759 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|1,0,0]=3 6760 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [1,1,0,0,0,0|2,0,0]=4 6761 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [1,1,0,0,0,0|2,0,0]=4 6762 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [1,1,0,0,0,0|2,0,0]=4 6763 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [1,1,0,0,0,0|2,0,0]=4 6764 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,1]=4 6765 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|0,0,0]=2 6766 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|0,0,0]=2 6767 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|1,0,0]=3 6768 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,0]=3 6769 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,0]=3 6770 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 6771 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 6772 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 6773 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [1,1,0,0,0,0|2,0,0]=4 6774 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [1,1,0,0,0,0|2,0,0]=4 6775 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 6776 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 6777 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 6778 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 6779 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 6780 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 6781 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 6782 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 6783 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|0,0,0]=2 6784 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|1,0,0]=3 6785 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,0]=3 6786 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|1,0,1]=4 6787 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|1,0,0]=3 6788 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,1,0,0,0,0|2,0,0]=4 6789 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|2,0,0]=4 6790 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [1,1,0,0,0,0|2,0,0]=4 6791 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 6792 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 6793 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|1,0,0]=3 6794 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [1,1,0,0,0,0|2,0,0]=4 6795 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,1,0,0,0,0|2,0,0]=4 6796 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 6797 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 6798 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,1,0,0,0,0|2,0,0]=4 6799 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 6800 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|2,0,0]=4 6801 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|2,0,0]=4 6802 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [1,1,0,0,0,0|2,0,0]=4 6803 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|1,0,0]=3 6804 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|1,0,0]=3 6805 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|1,0,0]=3 6806 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [1,1,0,0,0,0|2,0,0]=4 6807 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [1,1,0,0,0,0|2,0,0]=4 6808 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 6809 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 6810 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 6811 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [1,1,0,0,0,0|2,0,0]=4 6812 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [1,1,0,0,0,0|2,0,0]=4 6813 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|2,0,0]=4 6814 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|2,0,0]=4 6815 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [1,1,0,0,0,0|2,0,0]=4 6816 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [1,1,0,0,0,0|2,0,0]=4 6817 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 6818 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 6819 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,1,0,0,0,0|2,0,0]=4 6820 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 6821 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 6822 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 6823 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|2,0,0]=4 6824 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 6825 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 6826 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 6827 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 6828 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 6829 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|2,0,0]=4 6830 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 6831 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 6832 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|2,0,0]=4 6833 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|2,0,0]=4 6834 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|2,0,0]=4 6835 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|2,0,0]=4 6836 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|2,0,0]=4 6837 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|2,0,0]=4 6838 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [1,1,0,0,0,0|2,0,0]=4 6839 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,1,0,0,0,0|2,0,0]=4 6840 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 6841 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|2,0,0]=4 6842 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 6843 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|2,0,0]=4 6844 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|2,0,0]=4 6845 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [1,1,0,0,0,0|2,0,0]=4 6846 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [1,1,0,0,0,0|0,0,2]=4 6847 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [1,1,0,0,0,0|0,0,2]=4 6848 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [1,1,0,0,0,0|0,0,2]=4 6849 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [1,1,0,0,0,0|0,0,2]=4 6850 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [1,1,0,0,0,0|0,0,2]=4 6851 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|0,0,2]=4 6852 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [1,1,0,0,0,0|0,0,2]=4 6853 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [1,1,0,0,0,0|0,0,2]=4 6854 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [1,1,0,0,0,0|0,0,2]=4 6855 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|0,0,1]=3 6856 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|1,0,1]=4 6857 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|1,0,1]=4 6858 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|1,0,1]=4 6859 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|1,0,1]=4 6860 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|1,0,1]=4 6861 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|1,0,1]=4 6862 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [1,1,0,0,0,0|0,0,2]=4 6863 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [1,1,0,0,0,0|0,0,2]=4 6864 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [1,1,0,0,0,0|0,0,2]=4 6865 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [1,1,0,0,0,0|0,0,2]=4 6866 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [1,1,0,0,0,0|0,0,2]=4 6867 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [1,1,0,0,0,0|0,0,2]=4 6868 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [1,1,0,0,0,0|0,0,2]=4 6869 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [1,1,0,0,0,0|0,0,2]=4 6870 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [1,1,0,0,0,0|0,0,2]=4 6871 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [1,1,0,0,0,0|1,0,1]=4 6872 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [1,1,0,0,0,0|1,0,1]=4 6873 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|1,0,0]=3 6874 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|1,0,0]=3 6875 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [1,1,0,0,0,0|2,0,0]=4 6876 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [1,1,0,0,0,0|2,0,0]=4 6877 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 6878 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 6879 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 6880 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 6881 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [1,1,0,0,0,0|2,0,0]=4 6882 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [1,1,0,0,0,0|2,0,0]=4 6883 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [1,1,0,0,0,0|2,0,0]=4 6884 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [1,1,0,0,0,0|2,0,0]=4 6885 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [1,1,0,0,0,0|1,0,1]=4 6886 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,1,0,0,0,0|1,0,0]=3 6887 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|1,0,0]=3 6888 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 6889 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 6890 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 6891 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 6892 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [1,1,0,0,0,0|2,0,0]=4 6893 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [1,1,0,0,0,0|2,0,0]=4 6894 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|0,0,2]=4 6895 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|0,0,2]=4 6896 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [1,1,0,0,0,0|0,0,2]=4 6897 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [1,1,0,0,0,0|0,0,2]=4 6898 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [1,1,0,0,0,0|0,0,2]=4 6899 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [1,1,0,0,0,0|0,0,2]=4 6900 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,1,0,0,0,0|0,0,2]=4 6901 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|0,0,0]=2 6902 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|0,0,0]=2 6903 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|0,0,0]=2 6904 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|1,0,0]=3 6905 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 6906 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 6907 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 6908 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 6909 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|0,0,0]=2 6910 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|0,0,0]=2 6911 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [1,1,0,0,0,0|2,0,0]=4 6912 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [1,1,0,0,0,0|2,0,0]=4 6913 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [1,1,0,0,0,0|2,0,0]=4 6914 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [1,1,0,0,0,0|2,0,0]=4 6915 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [1,1,0,0,0,0|2,0,0]=4 6916 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [1,1,0,0,0,0|2,0,0]=4 6917 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [1,1,0,0,0,0|2,0,0]=4 6918 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,1]=4 6919 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,1]=4 6920 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 6921 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 6922 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 6923 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 6924 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 6925 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 6926 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 6927 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 6928 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 6929 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 6930 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 6931 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 6932 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [1,1,0,0,0,0|2,0,0]=4 6933 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,1,0,0,0,0|2,0,0]=4 6934 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|1,0,0]=3 6935 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|1,0,0]=3 6936 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|1,0,0]=3 6937 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,1,0,0,0,0|1,0,0]=3 6938 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [1,1,0,0,0,0|2,0,0]=4 6939 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [1,1,0,0,0,0|2,0,0]=4 6940 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [1,1,0,0,0,0|2,0,0]=4 6941 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [1,1,0,0,0,0|2,0,0]=4 6942 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [1,1,0,0,0,0|2,0,0]=4 6943 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [1,1,0,0,0,0|2,0,0]=4 6944 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|1,0,1]=4 6945 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|1,0,0]=3 6946 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|1,0,0]=3 6947 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 6948 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 6949 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 6950 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [1,1,0,0,0,0|2,0,0]=4 6951 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 6952 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|1,0,1]=4 6953 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|1,0,1]=4 6954 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|1,0,0]=3 6955 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|1,0,0]=3 6956 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|1,0,0]=3 6957 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 6958 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 6959 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 6960 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 6961 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [1,1,0,0,0,0|2,0,0]=4 6962 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [1,1,0,0,0,0|2,0,0]=4 6963 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,1,0,0,0,0|2,0,0]=4 6964 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,1,0,0,0,0|2,0,0]=4 6965 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,1,0,0,0,0|2,0,0]=4 6966 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,1,0,0,0,0|2,0,0]=4 6967 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,1,0,0,0,0|2,0,0]=4 6968 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 6969 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 6970 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|1,0,0]=3 6971 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|1,0,0]=3 6972 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|1,0,0]=3 6973 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [1,1,0,0,0,0|2,0,0]=4 6974 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 6975 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 6976 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 6977 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,1,0,0,0,0|2,0,0]=4 6978 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 6979 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|1,0,0]=3 6980 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|1,0,0]=3 6981 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|1,0,0]=3 6982 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|1,0,0]=3 6983 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|1,0,0]=3 6984 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [1,1,0,0,0,0|2,0,0]=4 6985 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 6986 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 6987 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 6988 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 6989 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,1,0,0,0,0|2,0,0]=4 6990 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,1,0,0,0,0|2,0,0]=4 6991 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|1,0,0]=3 6992 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|1,0,0]=3 6993 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [1,1,0,0,0,0|2,0,0]=4 6994 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [1,1,0,0,0,0|2,0,0]=4 6995 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [1,1,0,0,0,0|1,0,1]=4 6996 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|1,0,0]=3 6997 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,0]=3 6998 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [1,1,0,0,0,0|2,0,0]=4 6999 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [1,1,0,0,0,0|2,0,0]=4 7000 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [1,1,0,0,0,0|1,0,1]=4 7001 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|1,0,0]=3 7002 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,0]=3 7003 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [1,1,0,0,0,0|2,0,0]=4 7004 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [1,1,0,0,0,0|2,0,0]=4 7005 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [1,1,0,0,0,0|2,0,0]=4 7006 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [1,1,0,0,0,0|2,0,0]=4 7007 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [1,1,0,0,0,0|2,0,0]=4 7008 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|0,0,2]=4 7009 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|0,0,2]=4 7010 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|0,0,1]=3 7011 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|0,0,1]=3 7012 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [1,1,0,0,0,0|1,0,1]=4 7013 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,1,0,0,0,0|1,0,1]=4 7014 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,1,0,0,0,0|1,0,1]=4 7015 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 7016 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 7017 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 7018 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 7019 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 7020 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 7021 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 7022 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|0,0,2]=4 7023 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|0,0,2]=4 7024 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|1,0,0]=3 7025 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|1,0,0]=3 7026 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,1,0,0,0,0|2,0,0]=4 7027 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,1,0,0,0,0|2,0,0]=4 7028 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [1,1,0,0,0,0|2,0,0]=4 7029 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [1,1,0,0,0,0|2,0,0]=4 7030 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,0]=3 7031 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 7032 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 7033 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|0,0,2]=4 7034 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|0,0,2]=4 7035 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|0,0,2]=4 7036 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|1,0,1]=4 7037 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|0,0,0]=2 7038 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|0,0,0]=2 7039 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,0]=2 7040 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [1,1,0,0,0,0|2,0,0]=4 7041 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|1,0,0]=3 7042 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,1]=4 7043 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|1,0,1]=4 7044 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|1,0,0]=3 7045 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|1,0,0]=3 7046 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [1,1,0,0,0,0|2,0,0]=4 7047 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|1,0,1]=4 7048 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|1,0,0]=3 7049 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|1,0,0]=3 7050 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|1,0,0]=3 7051 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [1,1,0,0,0,0|2,0,0]=4 7052 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|1,0,1]=4 7053 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|1,0,1]=4 7054 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 7055 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 7056 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 7057 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 7058 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 7059 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 7060 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 7061 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 7062 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 7063 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 7064 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 7065 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [1,1,0,0,0,0|2,0,0]=4 7066 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,1,0,0,0,0|2,0,0]=4 7067 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,1,0,0,0,0|2,0,0]=4 7068 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,1,0,0,0,0|2,0,0]=4 7069 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,1,0,0,0,0|2,0,0]=4 7070 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,1,0,0,0,0|2,0,0]=4 7071 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,1,0,0,0,0|2,0,0]=4 7072 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [1,1,0,0,0,0|2,0,0]=4 7073 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [1,1,0,0,0,0|2,0,0]=4 7074 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,1,0,0,0,0|2,0,0]=4 7075 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,1,0,0,0,0|2,0,0]=4 7076 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|1,0,1]=4 7077 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|1,0,1]=4 7078 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 7079 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 7080 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,0]=3 7081 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 7082 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 7083 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 7084 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,0]=3 7085 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,1,0,0,0,0|2,0,0]=4 7086 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 7087 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 7088 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 7089 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 7090 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 7091 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 7092 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 7093 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 7094 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,1,0,0,0,0|2,0,0]=4 7095 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 7096 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 7097 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,1,0,0,0,0|2,0,0]=4 7098 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 7099 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 7100 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,1,0,0,0,0|2,0,0]=4 7101 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 7102 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 7103 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,1,0,0,0,0|2,0,0]=4 7104 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,1,0,0,0,0|2,0,0]=4 7105 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 7106 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,1,0,0,0,0|2,0,0]=4 7107 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 7108 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 7109 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 7110 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,1,0,0,0,0|2,0,0]=4 7111 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,1,0,0,0,0|2,0,0]=4 7112 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 7113 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 7114 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 7115 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 7116 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 7117 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 7118 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 7119 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 7120 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 7121 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 7122 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 7123 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,1]=4 7124 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,1]=4 7125 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|2,0,0]=4 7126 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|2,0,0]=4 7127 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|2,0,0]=4 7128 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|2,0,0]=4 7129 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 7130 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 7131 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|2,0,0]=4 7132 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|2,0,0]=4 7133 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|2,0,0]=4 7134 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [1,1,0,0,0,0|2,0,0]=4 7135 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,1,0,0,0,0|1,0,1]=4 7136 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,1,0,0,0,0|1,0,1]=4 7137 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,1,0,0,0,0|1,0,1]=4 7138 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|0,0,2]=4 7139 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|0,0,2]=4 7140 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|0,0,2]=4 7141 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|0,0,2]=4 7142 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|0,0,2]=4 7143 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [1,1,0,0,0,0|0,1,1]=4 7144 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [1,1,0,0,0,0|0,1,1]=4 7145 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [1,1,0,0,0,0|0,1,1]=4 7146 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [1,1,0,0,0,0|0,1,1]=4 7147 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [1,1,0,0,0,0|2,0,0]=4 7148 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [1,1,0,0,0,0|2,0,0]=4 7149 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [1,1,0,0,0,0|2,0,0]=4 7150 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [1,1,0,0,0,0|2,0,0]=4 7151 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [1,1,0,0,0,0|2,0,0]=4 7152 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [1,1,0,0,0,0|2,0,0]=4 7153 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|0,0,2]=4 7154 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|0,0,2]=4 7155 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|0,0,2]=4 7156 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|0,0,2]=4 7157 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|0,0,2]=4 7158 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|0,0,2]=4 7159 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|0,0,2]=4 7160 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|0,0,2]=4 7161 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|0,0,1]=3 7162 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,1,0,0,0,0|1,0,1]=4 7163 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 7164 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|1,0,1]=4 7165 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|1,0,1]=4 7166 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,0]=2 7167 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,0]=2 7168 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,0]=2 7169 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,0]=2 7170 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|1,0,0]=3 7171 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|1,0,0]=3 7172 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,0]=2 7173 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,0]=3 7174 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 7175 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 7176 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 7177 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 7178 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 7179 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 7180 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 7181 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 7182 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,1,0,0,0,0|2,0,0]=4 7183 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,1,0,0,0,0|2,0,0]=4 7184 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,0]=3 7185 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,0]=3 7186 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 7187 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 7188 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 7189 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 7190 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [1,1,0,0,0,0|2,0,0]=4 7191 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [1,1,0,0,0,0|2,0,0]=4 7192 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [1,1,0,0,0,0|2,0,0]=4 7193 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [1,1,0,0,0,0|2,0,0]=4 7194 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 7195 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 7196 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 7197 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 7198 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 7199 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 7200 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 7201 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 7202 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,0]=3 7203 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,0]=3 7204 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 7205 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 7206 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [1,1,0,0,0,0|2,0,0]=4 7207 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [1,1,0,0,0,0|2,0,0]=4 7208 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [1,1,0,0,0,0|2,0,0]=4 7209 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [1,1,0,0,0,0|2,0,0]=4 7210 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [1,1,0,0,0,0|2,0,0]=4 7211 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [1,1,0,0,0,0|2,0,0]=4 7212 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [1,1,0,0,0,0|2,0,0]=4 7213 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 7214 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 7215 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 7216 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 7217 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 7218 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 7219 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 7220 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 7221 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,0]=3 7222 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [1,1,0,0,0,0|2,0,0]=4 7223 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [1,1,0,0,0,0|2,0,0]=4 7224 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 7225 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|2,0,0]=4 7226 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 7227 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|2,0,0]=4 7228 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|2,0,0]=4 7229 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|2,0,0]=4 7230 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|2,0,0]=4 7231 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|2,0,0]=4 7232 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|2,0,0]=4 7233 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 7234 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 7235 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [1,1,0,0,0,0|2,0,0]=4 7236 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 7237 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 7238 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [1,1,0,0,0,0|2,0,0]=4 7239 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [1,1,0,0,0,0|2,0,0]=4 7240 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [1,1,0,0,0,0|2,0,0]=4 7241 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [1,1,0,0,0,0|2,0,0]=4 7242 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [1,1,0,0,0,0|2,0,0]=4 7243 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [1,1,0,0,0,0|2,0,0]=4 7244 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [1,1,0,0,0,0|2,0,0]=4 7245 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [1,1,0,0,0,0|2,0,0]=4 7246 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [1,1,0,0,0,0|2,0,0]=4 7247 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [1,1,0,0,0,0|2,0,0]=4 7248 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [1,1,0,0,0,0|2,0,0]=4 7249 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [1,1,0,0,0,0|2,0,0]=4 7250 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [1,1,0,0,0,0|2,0,0]=4 7251 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [1,1,0,0,0,0|2,0,0]=4 7252 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [1,1,0,0,0,0|2,0,0]=4 7253 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [1,1,0,0,0,0|2,0,0]=4 7254 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [1,1,0,0,0,0|2,0,0]=4 7255 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 7256 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [1,1,0,0,0,0|2,0,0]=4 7257 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [1,1,0,0,0,0|2,0,0]=4 7258 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [1,1,0,0,0,0|2,0,0]=4 7259 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [1,1,0,0,0,0|2,0,0]=4 7260 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|0,0,1]=3 7261 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|0,0,1]=3 7262 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 7263 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 7264 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|0,0,2]=4 7265 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|0,0,2]=4 7266 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,1]=3 7267 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 7268 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 7269 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|1,0,1]=4 7270 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,0]=2 7271 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,0]=2 7272 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,0]=2 7273 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 7274 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 7275 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,1,0,0,0,0|2,0,0]=4 7276 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 7277 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 7278 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 7279 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,0]=3 7280 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 7281 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 7282 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 7283 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|2,0,0]=4 7284 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|2,0,0]=4 7285 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,0]=3 7286 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,0]=3 7287 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 7288 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|1,0,1]=4 7289 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|1,0,1]=4 7290 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|1,0,1]=4 7291 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|1,0,0]=3 7292 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|1,0,0]=3 7293 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|2,0,0]=4 7294 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|2,0,0]=4 7295 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|2,0,0]=4 7296 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 7297 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 7298 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 7299 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|2,0,0]=4 7300 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|2,0,0]=4 7301 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [1,1,0,0,0,0|2,0,0]=4 7302 B8R0.21 CCNCCS(=O)(=O)C 2230a_100000740961_100000210202 [1,1,0,0,0,0|2,0,0]=4 7303 B8R0.21 CCNCCS(=O)(=O)C 2230a_100015525214_100000731031 [1,1,0,0,0,0|2,0,0]=4 7304 B8R0.21 CCNCCS(=O)(=O)C 34a_100000740961_100000210202 [1,1,0,0,0,0|2,0,0]=4 7305 B8R0.21 CCOCCS(=O)(=O)C 34a_100000211924_100000210202 [1,1,0,0,0,0|2,0,0]=4 7306 B8R0.21 CCOCCS(=O)(=O)C 34a_100121572206_100000731031 [1,1,0,0,0,0|2,0,0]=4 7307 B8R0.21 CCOCCS(=O)(=O)C 7a_100000211924_100000210202 [1,1,0,0,0,0|2,0,0]=4 7308 B8R0.21 CCSCCS(=O)(=O)C 62a_100000210202_100000230027 [1,1,0,0,0,0|2,0,0]=4 7309 B8R0.21 CCSCCS(=O)(=O)C 62a_100000731031_100000210202 [1,1,0,0,0,0|2,0,0]=4 7310 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 7311 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 7312 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 7313 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [1,1,0,0,0,0|2,0,0]=4 7314 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 7315 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [1,1,0,0,0,0|2,0,0]=4 7316 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [1,1,0,0,0,0|2,0,0]=4 7317 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [1,1,0,0,0,0|2,0,0]=4 7318 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 7319 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 7320 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [1,1,0,0,0,0|2,0,0]=4 7321 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [1,1,0,0,0,0|2,0,0]=4 7322 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [1,1,0,0,0,0|2,0,0]=4 7323 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [1,1,0,0,0,0|2,0,0]=4 7324 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [1,1,0,0,0,0|2,0,0]=4 7325 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [1,1,0,0,0,0|2,0,0]=4 7326 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,1,0,0,0,0|2,0,0]=4 7327 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,1,0,0,0,0|2,0,0]=4 7328 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,1,0,0,0,0|2,0,0]=4 7329 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,1,0,0,0,0|2,0,0]=4 7330 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,1,0,0,0,0|2,0,0]=4 7331 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,1,0,0,0,0|2,0,0]=4 7332 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,1,0,0,0,0|2,0,0]=4 7333 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,1,0,0,0,0|2,0,0]=4 7334 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [1,1,0,0,0,0|2,0,0]=4 7335 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [1,1,0,0,0,0|2,0,0]=4 7336 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,1,0,0,0,0|1,0,1]=4 7337 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [1,1,0,0,0,0|2,0,0]=4 7338 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,1,0,0,0,0|2,0,0]=4 7339 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,1,0,0,0,0|2,0,0]=4 7340 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [1,1,0,0,0,0|2,0,0]=4 7341 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [1,1,0,0,0,0|2,0,0]=4 7342 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [1,1,0,0,0,0|2,0,0]=4 7343 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [1,1,0,0,0,0|2,0,0]=4 7344 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [1,1,0,0,0,0|2,0,0]=4 7345 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,1,0,0,0,0|2,0,0]=4 7346 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,1,0,0,0,0|2,0,0]=4 7347 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [1,1,0,0,0,0|2,0,0]=4 7348 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [1,1,0,0,0,0|2,0,0]=4 7349 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [1,1,0,0,0,0|2,0,0]=4 7350 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [1,1,0,0,0,0|2,0,0]=4 7351 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,1,0,0,0,0|0,0,2]=4 7352 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|0,0,2]=4 7353 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|0,0,1]=3 7354 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 7355 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,0]=2 7356 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,0]=2 7357 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,0]=2 7358 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,0]=3 7359 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,0]=3 7360 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,1,0,0,0,0|2,0,0]=4 7361 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|1,0,1]=4 7362 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|1,0,1]=4 7363 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|1,0,1]=4 7364 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|1,0,0]=3 7365 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|1,0,0]=3 7366 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|1,0,0]=3 7367 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|1,0,1]=4 7368 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|1,0,0]=3 7369 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|1,0,0]=3 7370 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|1,0,0]=3 7371 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|1,0,0]=3 7372 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|1,0,0]=3 7373 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,0]=3 7374 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [1,1,0,0,0,0|2,0,0]=4 7375 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,0]=3 7376 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|1,0,1]=4 7377 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 7378 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 7379 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 7380 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,0]=3 7381 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,0]=3 7382 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,0]=3 7383 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 7384 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,1,0,0,0,0|2,0,0]=4 7385 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 7386 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,1,0,0,0,0|2,0,0]=4 7387 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,1,0,0,0,0|2,0,0]=4 7388 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,1,0,0,0,0|2,0,0]=4 7389 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,1,0,0,0,0|2,0,0]=4 7390 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,1,0,0,0,0|2,0,0]=4 7391 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,1,0,0,0,0|2,0,0]=4 7392 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,1,0,0,0,0|2,0,0]=4 7393 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,1,0,0,0,0|2,0,0]=4 7394 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|1,0,1]=4 7395 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 7396 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|2,0,0]=4 7397 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,1,0,0,0,0|0,0,2]=4 7398 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,0]=2 7399 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 7400 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 7401 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 7402 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 7403 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 7404 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|2,0,0]=4 7405 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|2,0,0]=4 7406 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 7407 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|1,0,0]=3 7408 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|2,0,0]=4 7409 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 7410 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 7411 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|2,0,0]=4 7412 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|2,0,0]=4 7413 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 7414 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 7415 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 7416 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 7417 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 7418 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 7419 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 7420 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 7421 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|2,0,0]=4 7422 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,1,0,0,0,0|2,0,0]=4 7423 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,1,0,0,0,0|2,0,0]=4 7424 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 7425 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 7426 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 7427 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|2,0,0]=4 7428 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|2,0,0]=4 7429 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 7430 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 7431 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|2,0,0]=4 7432 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|2,0,0]=4 7433 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 7434 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|2,0,0]=4 7435 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|2,0,0]=4 7436 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 7437 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|2,0,0]=4 7438 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 7439 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|2,0,0]=4 7440 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 7441 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|2,0,0]=4 7442 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 7443 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 7444 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|2,0,0]=4 7445 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|2,0,0]=4 7446 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,1,0,0,0,0|2,0,0]=4 7447 B10R0.3 C#CCC(=O)CCCC(=O)C 1458a_100011220946_100011215641 [0,2,0,0,0,0|0,0,2]=4 7448 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,2,0,0,0,0|0,0,1]=3 7449 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,2,0,0,0,0|0,0,1]=3 7450 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,2,0,0,0,0|0,0,1]=3 7451 B10R0.3 C#CCC(=O)CCCN(C)C 1458a_100011220946_100000695564 [0,2,0,0,0,0|1,0,1]=4 7452 B10R0.3 C#CCC(=O)CCOC(C)C 1458a_100011220946_100000211751 [0,2,0,0,0,0|1,0,1]=4 7453 B10R0.3 C#CCC(=O)CCSC(C)C 1458a_100011220946_100000730970 [0,2,0,0,0,0|1,0,1]=4 7454 B10R0.3 C#CCC(=O)COCC(C)C 1458a_100011223364_100000184674 [0,2,0,0,0,0|1,0,1]=4 7455 B10R0.3 C#CCC(=O)NCCC(C)C 1626a_100000210545_100011220946 [0,2,0,0,0,0|1,0,1]=4 7456 B10R0.3 C#CCC(=O)NCCC(C)C 527a_100000210545_100011220946 [0,2,0,0,0,0|1,0,1]=4 7457 B10R0.3 C#CCC(=O)NCCC(C)O 527a_200000755665_100011220946 [0,2,0,0,0,0|1,0,1]=4 7458 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,2,0,0,0,0|1,0,1]=4 7459 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,2,0,0,0,0|1,0,1]=4 7460 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,2,0,0,0,0|1,0,1]=4 7461 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,2,0,0,0,0|1,0,1]=4 7462 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,2,0,0,0,0|1,0,1]=4 7463 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,2,0,0,0,0|1,0,1]=4 7464 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,2,0,0,0,0|1,0,1]=4 7465 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,2,0,0,0,0|1,0,1]=4 7466 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,2,0,0,0,0|1,0,1]=4 7467 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,2,0,0,0,0|0,0,2]=4 7468 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,2,0,0,0,0|0,0,1]=3 7469 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,2,0,0,0,0|0,0,1]=3 7470 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|0,0,1]=3 7471 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,2,0,0,0,0|1,0,1]=4 7472 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,2,0,0,0,0|1,0,1]=4 7473 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,2,0,0,0,0|1,0,1]=4 7474 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,2,0,0,0,0|1,0,1]=4 7475 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [0,2,0,0,0,0|1,0,1]=4 7476 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [0,2,0,0,0,0|1,0,1]=4 7477 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [0,2,0,0,0,0|1,0,1]=4 7478 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [0,2,0,0,0,0|1,0,1]=4 7479 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [0,2,0,0,0,0|1,0,1]=4 7480 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [0,2,0,0,0,0|1,0,1]=4 7481 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,2,0,0,0,0|0,0,2]=4 7482 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,2,0,0,0,0|0,0,1]=3 7483 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|0,0,1]=3 7484 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,2,0,0,0,0|1,0,1]=4 7485 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,2,0,0,0,0|1,0,1]=4 7486 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,2,0,0,0,0|1,0,1]=4 7487 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,2,0,0,0,0|0,0,2]=4 7488 B10R0.3 CC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215641 [0,2,0,0,0,0|0,0,2]=4 7489 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|0,0,1]=3 7490 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,2,0,0,0,0|1,0,1]=4 7491 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,2,0,0,0,0|1,0,1]=4 7492 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,2,0,0,0,0|1,0,1]=4 7493 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,2,0,0,0,0|1,0,1]=4 7494 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,2,0,0,0,0|1,0,1]=4 7495 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,2,0,0,0,0|1,0,1]=4 7496 B10R0.3 CC(Br)COCC(=O)NCO 34a_100012180447_100000185155 [0,2,0,0,0,0|2,0,0]=4 7497 B10R0.3 CC(C)/C=C/CC(=O)CCF 1458a_100016292215_100011217306 [0,2,0,0,0,0|0,0,2]=4 7498 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,2,0,0,0,0|0,0,2]=4 7499 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,2,0,0,0,0|0,0,2]=4 7500 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,2,0,0,0,0|0,0,2]=4 7501 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,2,0,0,0,0|0,0,2]=4 7502 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,2,0,0,0,0|0,0,1]=3 7503 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,2,0,0,0,0|0,0,1]=3 7504 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|0,0,0]=2 7505 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|0,0,0]=2 7506 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|0,0,0]=2 7507 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,2,0,0,0,0|2,0,0]=4 7508 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,2,0,0,0,0|2,0,0]=4 7509 B10R0.3 CC(C)CCNC(=O)CC#N 1626a_100000210545_100051588842 [0,2,0,0,0,0|1,0,1]=4 7510 B10R0.3 CC(C)CCNC(=O)CC#N 240690a_100000210545_100051588842 [0,2,0,0,0,0|1,0,1]=4 7511 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,2,0,0,0,0|1,0,0]=3 7512 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,2,0,0,0,0|2,0,0]=4 7513 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,2,0,0,0,0|2,0,0]=4 7514 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,2,0,0,0,0|2,0,0]=4 7515 B10R0.3 CC(C)COCC(=O)CC#N 1458a_100011223364_100011214920 [0,2,0,0,0,0|1,0,1]=4 7516 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,2,0,0,0,0|1,0,0]=3 7517 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,2,0,0,0,0|1,0,0]=3 7518 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,2,0,0,0,0|2,0,0]=4 7519 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,2,0,0,0,0|2,0,0]=4 7520 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,2,0,0,0,0|2,0,0]=4 7521 B10R0.3 CC(C)OCCC(=O)CC#N 1458a_100051588842_100000211751 [0,2,0,0,0,0|1,0,1]=4 7522 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,2,0,0,0,0|1,0,0]=3 7523 B10R0.3 CC(C)SCCC(=O)CC#N 1458a_100051588842_100000730970 [0,2,0,0,0,0|1,0,1]=4 7524 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,2,0,0,0,0|1,0,0]=3 7525 B10R0.3 CC(F)COCC(=O)NCO 34a_100015925927_100000185155 [0,2,0,0,0,0|2,0,0]=4 7526 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,2,0,0,0,0|0,0,2]=4 7527 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,2,0,0,0,0|0,0,2]=4 7528 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,2,0,0,0,0|0,0,2]=4 7529 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,2,0,0,0,0|0,0,1]=3 7530 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|0,0,0]=2 7531 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,2,0,0,0,0|2,0,0]=4 7532 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,2,0,0,0,0|2,0,0]=4 7533 B10R0.3 CC(O)CCNC(=O)CC#N 240690a_200000755665_100051588842 [0,2,0,0,0,0|1,0,1]=4 7534 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|1,0,0]=3 7535 B10R0.3 CC(O)CNCC(=O)NCO 2230a_100000210904_100000185155 [0,2,0,0,0,0|2,0,0]=4 7536 B10R0.3 CC(O)CNCC(=O)NCO 34a_100000210904_100000185155 [0,2,0,0,0,0|2,0,0]=4 7537 B10R0.3 CC(O)CNNC(=O)CCO 22a_200000730056_100011216618 [0,2,0,0,0,0|2,0,0]=4 7538 B10R0.3 CC(O)CSCC(=O)NCO 62a_100000185155_100011218427 [0,2,0,0,0,0|2,0,0]=4 7539 B10R0.3 CC(O)CSCC(=O)NCO 62a_100011218427_100000185155 [0,2,0,0,0,0|2,0,0]=4 7540 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,2,0,0,0,0|0,0,2]=4 7541 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|0,0,1]=3 7542 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|0,0,1]=3 7543 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,2,0,0,0,0|1,0,1]=4 7544 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,2,0,0,0,0|1,0,1]=4 7545 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,2,0,0,0,0|1,0,1]=4 7546 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,2,0,0,0,0|1,0,1]=4 7547 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,2,0,0,0,0|1,0,1]=4 7548 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,2,0,0,0,0|1,0,1]=4 7549 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,2,0,0,0,0|1,0,1]=4 7550 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,2,0,0,0,0|0,0,2]=4 7551 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|0,0,2]=4 7552 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|0,0,1]=3 7553 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,2,0,0,0,0|1,0,1]=4 7554 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|0,0,0]=2 7555 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|0,0,0]=2 7556 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|0,0,0]=2 7557 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|1,0,0]=3 7558 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,2,0,0,0,0|2,0,0]=4 7559 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|1,0,1]=4 7560 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|1,0,1]=4 7561 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,0,1]=4 7562 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,2,0,0,0,0|1,0,0]=3 7563 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,0,1]=4 7564 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,2,0,0,0,0|1,0,0]=3 7565 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,2,0,0,0,0|1,0,0]=3 7566 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,2,0,0,0,0|1,0,0]=3 7567 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,2,0,0,0,0|1,0,0]=3 7568 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,2,0,0,0,0|1,0,0]=3 7569 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,2,0,0,0,0|1,0,0]=3 7570 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,2,0,0,0,0|1,0,0]=3 7571 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,2,0,0,0,0|1,0,0]=3 7572 B10R0.3 CCCC(=O)CSCC(F)F 62a_100000747444_100011934356 [0,2,0,0,0,0|2,0,0]=4 7573 B10R0.3 CCCC(=O)CSCC(F)F 62a_100011934356_100000747444 [0,2,0,0,0,0|2,0,0]=4 7574 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,2,0,0,0,0|1,0,0]=3 7575 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,2,0,0,0,0|1,0,0]=3 7576 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 7577 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 7578 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 7579 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 7580 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|1,0,0]=3 7581 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|1,0,0]=3 7582 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,2,0,0,0,0|2,0,0]=4 7583 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,2,0,0,0,0|2,0,0]=4 7584 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,2,0,0,0,0|2,0,0]=4 7585 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,2,0,0,0,0|2,0,0]=4 7586 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,2,0,0,0,0|2,0,0]=4 7587 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,2,0,0,0,0|2,0,0]=4 7588 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,2,0,0,0,0|2,0,0]=4 7589 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,2,0,0,0,0|2,0,0]=4 7590 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,2,0,0,0,0|2,0,0]=4 7591 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,2,0,0,0,0|2,0,0]=4 7592 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,2,0,0,0,0|2,0,0]=4 7593 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,2,0,0,0,0|2,0,0]=4 7594 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,2,0,0,0,0|0,0,2]=4 7595 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,2,0,0,0,0|0,0,2]=4 7596 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|0,0,1]=3 7597 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|0,0,1]=3 7598 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|0,0,0]=2 7599 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|0,0,0]=2 7600 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|0,0,0]=2 7601 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|0,0,0]=2 7602 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,2,0,0,0,0|1,0,0]=3 7603 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,2,0,0,0,0|1,0,0]=3 7604 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 11a_100015525214_100016109205 [0,2,0,0,0,0|2,0,0]=4 7605 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 240690a_100015525214_100016109205 [0,2,0,0,0,0|2,0,0]=4 7606 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 527a_100015525214_100016109205 [0,2,0,0,0,0|2,0,0]=4 7607 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 7608 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 7609 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 7610 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 7611 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,2,0,0,0,0|1,0,1]=4 7612 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,2,0,0,0,0|1,0,1]=4 7613 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,2,0,0,0,0|1,0,1]=4 7614 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,2,0,0,0,0|1,0,0]=3 7615 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,2,0,0,0,0|1,0,0]=3 7616 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,2,0,0,0,0|1,0,1]=4 7617 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,2,0,0,0,0|1,0,0]=3 7618 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,2,0,0,0,0|1,0,0]=3 7619 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,2,0,0,0,0|1,0,0]=3 7620 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,2,0,0,0,0|1,0,0]=3 7621 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,2,0,0,0,0|1,0,0]=3 7622 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,2,0,0,0,0|1,0,0]=3 7623 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,2,0,0,0,0|1,0,0]=3 7624 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,2,0,0,0,0|1,0,0]=3 7625 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,2,0,0,0,0|1,0,0]=3 7626 B10R0.3 CCNC(=O)CNCC(F)F 2230a_100016988866_100011934356 [0,2,0,0,0,0|2,0,0]=4 7627 B10R0.3 CCNC(=O)CNCC(F)F 34a_100000765723_100000183381 [0,2,0,0,0,0|2,0,0]=4 7628 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,2,0,0,0,0|1,0,0]=3 7629 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,2,0,0,0,0|1,0,1]=4 7630 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,2,0,0,0,0|1,0,0]=3 7631 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,2,0,0,0,0|1,0,0]=3 7632 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,2,0,0,0,0|1,0,0]=3 7633 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,2,0,0,0,0|1,0,0]=3 7634 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,2,0,0,0,0|1,0,0]=3 7635 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,2,0,0,0,0|1,0,0]=3 7636 B10R0.3 CCNC(=O)COCC(F)F 34a_100000743014_100000183381 [0,2,0,0,0,0|2,0,0]=4 7637 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,2,0,0,0,0|1,0,0]=3 7638 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,2,0,0,0,0|1,0,0]=3 7639 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,2,0,0,0,0|1,0,0]=3 7640 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,2,0,0,0,0|1,0,0]=3 7641 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,2,0,0,0,0|1,0,0]=3 7642 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,2,0,0,0,0|1,0,0]=3 7643 B10R0.3 CCNC(=O)CSCC(F)F 62a_100000183381_100011934356 [0,2,0,0,0,0|2,0,0]=4 7644 B10R0.3 CCNC(=O)CSCC(F)F 62a_100011934356_100000183381 [0,2,0,0,0,0|2,0,0]=4 7645 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,2,0,0,0,0|1,0,0]=3 7646 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,2,0,0,0,0|1,0,0]=3 7647 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,2,0,0,0,0|1,0,0]=3 7648 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,2,0,0,0,0|1,0,0]=3 7649 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,2,0,0,0,0|1,0,0]=3 7650 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,2,0,0,0,0|1,0,0]=3 7651 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,2,0,0,0,0|1,0,0]=3 7652 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,2,0,0,0,0|1,0,0]=3 7653 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,2,0,0,0,0|1,0,0]=3 7654 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,2,0,0,0,0|1,0,0]=3 7655 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,2,0,0,0,0|1,0,0]=3 7656 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,2,0,0,0,0|1,0,0]=3 7657 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 7658 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,2,0,0,0,0|2,0,0]=4 7659 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 7660 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 7661 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,2,0,0,0,0|2,0,0]=4 7662 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,2,0,0,0,0|2,0,0]=4 7663 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,2,0,0,0,0|2,0,0]=4 7664 B10R0.3 CCNC(=O)NNCC(C)O 512a_100015525214_200000730056 [0,2,0,0,0,0|2,0,0]=4 7665 B10R0.3 CCNC(=O)NNCC(C)O 512a_200000730056_100015525214 [0,2,0,0,0,0|2,0,0]=4 7666 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,2,0,0,0,0|1,0,1]=4 7667 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,2,0,0,0,0|1,0,1]=4 7668 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|0,0,1]=3 7669 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|0,0,1]=3 7670 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|0,0,1]=3 7671 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 7672 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 7673 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,2,0,0,0,0|1,0,1]=4 7674 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|1,0,0]=3 7675 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|1,0,0]=3 7676 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|1,0,0]=3 7677 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|1,0,0]=3 7678 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|1,0,0]=3 7679 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|1,0,0]=3 7680 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|1,0,0]=3 7681 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|1,0,0]=3 7682 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|1,0,0]=3 7683 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,2,0,0,0,0|2,0,0]=4 7684 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,2,0,0,0,0|1,0,1]=4 7685 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|1,0,0]=3 7686 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|1,0,0]=3 7687 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|1,0,0]=3 7688 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,2,0,0,0,0|2,0,0]=4 7689 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|1,0,0]=3 7690 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|1,0,0]=3 7691 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|1,0,0]=3 7692 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|1,0,0]=3 7693 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|1,0,0]=3 7694 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|1,0,0]=3 7695 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,2,0,0,0,0|2,0,0]=4 7696 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,2,0,0,0,0|2,0,0]=4 7697 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|1,0,0]=3 7698 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|1,0,0]=3 7699 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,2,0,0,0,0|1,0,1]=4 7700 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,2,0,0,0,0|2,0,0]=4 7701 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,2,0,0,0,0|2,0,0]=4 7702 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 7703 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 7704 B10R0.3 CN(C)CCCC(=O)CC#N 1458a_100051588842_100000695564 [0,2,0,0,0,0|1,0,1]=4 7705 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,2,0,0,0,0|1,0,0]=3 7706 B10R0.3 CN(C)CCNC(=O)CCO 240690a_100000210585_100011216618 [0,2,0,0,0,0|2,0,0]=4 7707 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,2,0,0,0,0|1,0,0]=3 7708 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|1,0,0]=3 7709 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,2,0,0,0,0|2,0,0]=4 7710 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,2,0,0,0,0|2,0,0]=4 7711 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,2,0,0,0,0|2,0,0]=4 7712 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,2,0,0,0,0|2,0,0]=4 7713 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,2,0,0,0,0|2,0,0]=4 7714 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 7715 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,2,0,0,0,0|2,0,0]=4 7716 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 7717 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,2,0,0,0,0|0,0,2]=4 7718 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|0,0,1]=3 7719 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,2,0,0,0,0|1,0,1]=4 7720 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|0,0,0]=2 7721 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|0,0,0]=2 7722 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,2,0,0,0,0|1,0,0]=3 7723 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,2,0,0,0,0|1,0,1]=4 7724 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,2,0,0,0,0|1,0,1]=4 7725 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,2,0,0,0,0|1,0,0]=3 7726 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,2,0,0,0,0|1,0,0]=3 7727 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 7728 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 7729 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 7730 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 7731 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|1,0,0]=3 7732 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|1,0,0]=3 7733 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 7734 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 7735 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,2,0,0,0,0|2,0,0]=4 7736 B10R0.3 COCC(=O)NNCC(C)O 22a_200000730056_100000210968 [0,2,0,0,0,0|2,0,0]=4 7737 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,2,0,0,0,0|0,0,2]=4 7738 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|0,0,1]=3 7739 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,2,0,0,0,0|1,0,1]=4 7740 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|0,0,0]=2 7741 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|0,0,0]=2 7742 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,2,0,0,0,0|1,0,0]=3 7743 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,2,0,0,0,0|1,0,1]=4 7744 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,2,0,0,0,0|1,0,1]=4 7745 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,2,0,0,0,0|1,0,0]=3 7746 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,2,0,0,0,0|1,0,0]=3 7747 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,2,0,0,0,0|1,0,0]=3 7748 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,2,0,0,0,0|1,0,0]=3 7749 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,2,0,0,0,0|1,0,0]=3 7750 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,2,0,0,0,0|1,0,0]=3 7751 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,2,0,0,0,0|1,0,0]=3 7752 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,2,0,0,0,0|1,0,0]=3 7753 B10R0.3 CSCC(=O)NCCN(C)C 240690a_100000210585_100000184570 [0,2,0,0,0,0|2,0,0]=4 7754 B10R0.3 CSCC(=O)NCCN(C)C 527a_100000210585_100000184570 [0,2,0,0,0,0|2,0,0]=4 7755 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [0,2,0,0,0,0|2,0,0]=4 7756 B10R0.3 CSCC(=O)NNCC(C)O 22a_200000730056_100000184570 [0,2,0,0,0,0|2,0,0]=4 7757 B10R0.3 C[C@@H](Cl)COCC(=O)NCO 34a_100016084084_100000185155 [0,2,0,0,0,0|2,0,0]=4 7758 B10R0.3 C[C@@H](N)COCC(=O)NCO 34a_100000737577_100000185155 [0,2,0,0,0,0|2,0,0]=4 7759 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100000185155_100009817552 [0,2,0,0,0,0|2,0,0]=4 7760 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100009817552_100000185155 [0,2,0,0,0,0|2,0,0]=4 7761 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,2,0,0,0,0|1,0,1]=4 7762 B10R0.3 O=C(CCF)CCC[N+](=O)[O-] 1458a_100016109205_100011217306 [0,2,0,0,0,0|2,0,0]=4 7763 B10R0.3 O=C(CCO)CCC[N+](=O)[O-] 1458a_100016109205_100000211926 [0,2,0,0,0,0|2,0,0]=4 7764 B10R0.44 C=C(C)CN(C)CC(=O)CC 269982a_100000225649_100000747405 [0,2,0,0,0,0|1,0,1]=4 7765 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [0,2,0,0,0,0|2,0,0]=4 7766 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [0,2,0,0,0,0|2,0,0]=4 7767 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|0,0,1]=3 7768 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [0,2,0,0,0,0|1,0,1]=4 7769 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,2,0,0,0,0|0,0,1]=3 7770 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [0,2,0,0,0,0|1,0,1]=4 7771 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [0,2,0,0,0,0|1,0,1]=4 7772 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,2,0,0,0,0|1,0,1]=4 7773 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [0,2,0,0,0,0|1,0,0]=3 7774 B10R0.44 CCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747405 [0,2,0,0,0,0|1,0,0]=3 7775 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [0,2,0,0,0,0|1,0,0]=3 7776 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [0,2,0,0,0,0|1,0,0]=3 7777 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [0,2,0,0,0,0|1,0,0]=3 7778 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [0,2,0,0,0,0|1,0,0]=3 7779 B10R0.44 CCC(=O)NC(C)CN(C)C 11a_100016992788_100000210414 [0,2,0,0,0,0|2,0,0]=4 7780 B10R0.44 CCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210414 [0,2,0,0,0,0|2,0,0]=4 7781 B10R0.44 CCC(=O)NC(C)CN(C)C 527a_100016992788_100000210414 [0,2,0,0,0,0|2,0,0]=4 7782 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,2,0,0,0,0|1,0,1]=4 7783 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [0,2,0,0,0,0|1,0,1]=4 7784 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000189611_100000210760 [0,2,0,0,0,0|2,0,0]=4 7785 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183359 [0,2,0,0,0,0|2,0,0]=4 7786 B10R0.44 CNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183359 [0,2,0,0,0,0|2,0,0]=4 7787 B10R0.44 CNC(=O)CN(C)CC(C)C 270004a_100000189611_100000210432 [0,2,0,0,0,0|2,0,0]=4 7788 B10R0.44 CNC(=O)CN(C)CC(C)O 2230a_100000189611_100011218427 [0,2,0,0,0,0|2,0,0]=4 7789 B10R0.44 CNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183359 [0,2,0,0,0,0|2,0,0]=4 7790 B10R0.44 CNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183359 [0,2,0,0,0,0|2,0,0]=4 7791 B10R0.44 CNC(=O)CN(C)C[C@@H](C)O 2230a_100000189611_100009817552 [0,2,0,0,0,0|2,0,0]=4 7792 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [0,2,0,0,0,0|2,0,0]=4 7793 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [0,2,0,0,0,0|2,0,0]=4 7794 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [0,2,0,0,0,0|2,0,0]=4 7795 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [0,2,0,0,0,0|2,0,0]=4 7796 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [0,2,0,0,0,0|2,0,0]=4 7797 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|1,0,1]=4 7798 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|1,0,1]=4 7799 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,2,0,0,0,0|1,0,1]=4 7800 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,2,0,0,0,0|1,0,1]=4 7801 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,2,0,0,0,0|1,0,1]=4 7802 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,2,0,0,0,0|1,0,1]=4 7803 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,2,0,0,0,0|2,0,0]=4 7804 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,2,0,0,0,0|2,0,0]=4 7805 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,2,0,0,0,0|2,0,0]=4 7806 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,2,0,0,0,0|2,0,0]=4 7807 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,2,0,0,0,0|2,0,0]=4 7808 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,2,0,0,0,0|2,0,0]=4 7809 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,2,0,0,0,0|2,0,0]=4 7810 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,2,0,0,0,0|2,0,0]=4 7811 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,2,0,0,0,0|2,0,0]=4 7812 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,2,0,0,0,0|2,0,0]=4 7813 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,2,0,0,0,0|2,0,0]=4 7814 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,2,0,0,0,0|2,0,0]=4 7815 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,2,0,0,0,0|2,0,0]=4 7816 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,2,0,0,0,0|0,0,2]=4 7817 B10R0.57 C=C(C)CSC(C)C(=O)CC 62a_100000742827_100000211660 [0,2,0,0,0,0|1,0,1]=4 7818 B10R0.57 C=C(C)CSC(C)C(=O)CC 62a_100000748629_100000742827 [0,2,0,0,0,0|1,0,1]=4 7819 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,2,0,0,0,0|0,0,2]=4 7820 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|1,0,0]=3 7821 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,2,0,0,0,0|2,0,0]=4 7822 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,2,0,0,0,0|2,0,0]=4 7823 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,2,0,0,0,0|1,0,1]=4 7824 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|0,0,0]=2 7825 B10R0.57 CCC(=O)C(C)NCC(C)C 2230a_100000210953_100000742827 [0,2,0,0,0,0|1,0,0]=3 7826 B10R0.57 CCC(=O)C(C)NCC(C)O 2230a_100000210904_100000742827 [0,2,0,0,0,0|1,0,0]=3 7827 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000210624_100000742827 [0,2,0,0,0,0|1,0,0]=3 7828 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000742827_100000210760 [0,2,0,0,0,0|1,0,0]=3 7829 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100000742827_100011218427 [0,2,0,0,0,0|1,0,0]=3 7830 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100011218427_100000742827 [0,2,0,0,0,0|1,0,0]=3 7831 B10R0.57 CCC(=O)C(C)SCC(F)F 62a_100000742827_100011934356 [0,2,0,0,0,0|2,0,0]=4 7832 B10R0.57 CCC(=O)C(C)SCC(F)F 62a_100011934356_100000742827 [0,2,0,0,0,0|2,0,0]=4 7833 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100000742827_100009817552 [0,2,0,0,0,0|1,0,0]=3 7834 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000742827 [0,2,0,0,0,0|1,0,0]=3 7835 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [0,2,0,0,0,0|1,0,0]=3 7836 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [0,2,0,0,0,0|1,0,0]=3 7837 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [0,2,0,0,0,0|1,0,0]=3 7838 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [0,2,0,0,0,0|1,0,0]=3 7839 B10R0.57 CCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210414 [0,2,0,0,0,0|2,0,0]=4 7840 B10R0.57 CCC(=O)N(C)CCN(C)C 527a_100000225618_100000210414 [0,2,0,0,0,0|2,0,0]=4 7841 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,2,0,0,0,0|1,0,1]=4 7842 B10R0.57 CCN(C)C(C)CCC(C)C 2230a_100000225621_100011261404 [0,2,0,0,0,0|2,0,0]=4 7843 B10R0.57 CCN(C)C(C)CCC(C)C 269982a_100000225621_100011261404 [0,2,0,0,0,0|2,0,0]=4 7844 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|1,0,1]=4 7845 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|1,0,1]=4 7846 B10R0.57 CNC(=O)C(C)CNC(C)C 2230a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 7847 B10R0.57 CNC(=O)C(C)CNC(C)C 34a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 7848 B10R0.57 CNC(=O)C(C)NCC(C)C 2230a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 7849 B10R0.57 CNC(=O)C(C)NCC(C)C 34a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 7850 B10R0.57 CNC(=O)C(C)NCC(C)O 2230a_100000210904_100000731044 [0,2,0,0,0,0|2,0,0]=4 7851 B10R0.57 CNC(=O)C(C)NCC(C)O 34a_100000210904_100000731044 [0,2,0,0,0,0|2,0,0]=4 7852 B10R0.57 CNC(=O)C(C)OCC(C)Br 34a_100012180447_100000731044 [0,2,0,0,0,0|2,0,0]=4 7853 B10R0.57 CNC(=O)C(C)OCC(C)C 34a_100000210257_100000731044 [0,2,0,0,0,0|2,0,0]=4 7854 B10R0.57 CNC(=O)C(C)OCC(C)F 34a_100015925927_100000731044 [0,2,0,0,0,0|2,0,0]=4 7855 B10R0.57 CNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000731044 [0,2,0,0,0,0|2,0,0]=4 7856 B10R0.57 CNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000731044 [0,2,0,0,0,0|2,0,0]=4 7857 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000209862_100000210760 [0,2,0,0,0,0|2,0,0]=4 7858 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000210624_100000731044 [0,2,0,0,0,0|2,0,0]=4 7859 B10R0.57 CNC(=O)C(C)SCC(C)O 62a_100000209862_100011218427 [0,2,0,0,0,0|2,0,0]=4 7860 B10R0.57 CNC(=O)C(C)SCC(C)O 62a_100011218427_100000731044 [0,2,0,0,0,0|2,0,0]=4 7861 B10R0.57 CNC(=O)C(C)SC[C@@H](C)O 62a_100000209862_100009817552 [0,2,0,0,0,0|2,0,0]=4 7862 B10R0.57 CNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000731044 [0,2,0,0,0,0|2,0,0]=4 7863 B10R0.57 CNC(=O)C(F)NCC(C)C 2230a_100000210953_100009813575 [0,2,0,0,0,0|2,0,0]=4 7864 B10R0.57 CNC(=O)C(F)NCC(C)C 34a_100000210953_100009813575 [0,2,0,0,0,0|2,0,0]=4 7865 B10R0.57 CNC(=O)C(F)NCC(C)O 2230a_100000210904_100009813575 [0,2,0,0,0,0|2,0,0]=4 7866 B10R0.57 CNC(=O)C(F)NCC(C)O 34a_100000210904_100009813575 [0,2,0,0,0,0|2,0,0]=4 7867 B10R0.57 CNC(=O)C(F)OCC(C)Br 34a_100012180447_100009813575 [0,2,0,0,0,0|2,0,0]=4 7868 B10R0.57 CNC(=O)C(F)OCC(C)C 34a_100000210257_100009813575 [0,2,0,0,0,0|2,0,0]=4 7869 B10R0.57 CNC(=O)C(F)OCC(C)F 34a_100015925927_100009813575 [0,2,0,0,0,0|2,0,0]=4 7870 B10R0.57 CNC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100009813575 [0,2,0,0,0,0|2,0,0]=4 7871 B10R0.57 CNC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100009813575 [0,2,0,0,0,0|2,0,0]=4 7872 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100000210624_100009813575 [0,2,0,0,0,0|2,0,0]=4 7873 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100009813575_100000210760 [0,2,0,0,0,0|2,0,0]=4 7874 B10R0.57 CNC(=O)C(F)SCC(C)O 62a_100009813575_100011218427 [0,2,0,0,0,0|2,0,0]=4 7875 B10R0.57 CNC(=O)C(F)SCC(C)O 62a_100011218427_100009813575 [0,2,0,0,0,0|2,0,0]=4 7876 B10R0.57 CNC(=O)C(F)SC[C@@H](C)O 62a_100009813575_100009817552 [0,2,0,0,0,0|2,0,0]=4 7877 B10R0.57 CNC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100009813575 [0,2,0,0,0,0|2,0,0]=4 7878 B10R0.57 CNC(=O)N(C)CCC(C)C 2708a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 7879 B10R0.57 CNC(=O)N(C)CCC(C)C 273464a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 7880 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 2230a_100000684985_100000210760 [0,2,0,0,0,0|2,0,0]=4 7881 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 34a_100000684985_100000210624 [0,2,0,0,0,0|2,0,0]=4 7882 B10R0.57 CNC(=O)[C@@H](C)NCC(C)O 2230a_100000684985_100011218427 [0,2,0,0,0,0|2,0,0]=4 7883 B10R0.57 CNC(=O)[C@@H](C)NCC(C)O 34a_100000684985_100011218427 [0,2,0,0,0,0|2,0,0]=4 7884 B10R0.57 CNC(=O)[C@@H](C)NC[C@@H](C)O 2230a_100000684985_100009817552 [0,2,0,0,0,0|2,0,0]=4 7885 B10R0.57 CNC(=O)[C@@H](C)NC[C@@H](C)O 34a_100000684985_100009817552 [0,2,0,0,0,0|2,0,0]=4 7886 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,2,0,0,0,0|1,0,1]=4 7887 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,2,0,0,0,0|2,0,0]=4 7888 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,2,0,0,0,0|2,0,0]=4 7889 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,2,0,0,0,0|2,0,0]=4 7890 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,2,0,0,0,0|2,0,0]=4 7891 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,2,0,0,0,0|2,0,0]=4 7892 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,2,0,0,0,0|2,0,0]=4 7893 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,2,0,0,0,0|2,0,0]=4 7894 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,2,0,0,0,0|2,0,0]=4 7895 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,2,0,0,0,0|2,0,0]=4 7896 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,2,0,0,0,0|2,0,0]=4 7897 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 7898 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 7899 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,2,0,0,0,0|2,0,0]=4 7900 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,2,0,0,0,0|2,0,0]=4 7901 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,2,0,0,0,0|2,0,0]=4 7902 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,2,0,0,0,0|2,0,0]=4 7903 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,2,0,0,0,0|2,0,0]=4 7904 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,2,0,0,0,0|2,0,0]=4 7905 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,2,0,0,0,0|2,0,0]=4 7906 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,2,0,0,0,0|2,0,0]=4 7907 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,2,0,0,0,0|2,0,0]=4 7908 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,2,0,0,0,0|2,0,0]=4 7909 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,2,0,0,0,0|2,0,0]=4 7910 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,2,0,0,0,0|2,0,0]=4 7911 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,2,0,0,0,0|2,0,0]=4 7912 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,2,0,0,0,0|2,0,0]=4 7913 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,2,0,0,0,0|2,0,0]=4 7914 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,0,0,0,0|2,0,0]=4 7915 B10R0.59 C#CC(=O)CCCN(C)CC 1458a_100000211873_100015186262 [0,2,0,0,0,0|0,0,2]=4 7916 B10R0.59 C#CC(C)NCCC(=O)NC 2230a_100000707721_100000737683 [0,2,0,0,0,0|2,0,0]=4 7917 B10R0.59 C#CC(C)NCCC(=O)NC 34a_100000707721_100012179268 [0,2,0,0,0,0|2,0,0]=4 7918 B10R0.59 C#CC(C)NCCC(=O)NC 34a_100000738227_200000035995 [0,2,0,0,0,0|2,0,0]=4 7919 B10R0.59 C#CC(C)NCCC(=O)OC 2230a_100000707721_100000204255 [0,2,0,0,0,0|2,0,0]=4 7920 B10R0.59 C#CC(C)NCCC(=O)OC 34a_100000707721_100000742370 [0,2,0,0,0,0|2,0,0]=4 7921 B10R0.59 C#CC(C)OCCC(=O)NC 34a_100000754576_200000035995 [0,2,0,0,0,0|2,0,0]=4 7922 B10R0.59 C#CC(C)SCCC(=O)NC 62a_200000035995_100000737683 [0,2,0,0,0,0|2,0,0]=4 7923 B10R0.59 C#CC(C)SCCC(=O)OC 62a_200000035995_100000204255 [0,2,0,0,0,0|2,0,0]=4 7924 B10R0.59 C#C[C@@H](C)OCCC(=O)NC 34a_100009815206_100012179268 [0,2,0,0,0,0|2,0,0]=4 7925 B10R0.59 C#C[C@@H](C)OCCC(=O)NC 7a_100009815206_100000737683 [0,2,0,0,0,0|2,0,0]=4 7926 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 34a_100009815206_100000742370 [0,2,0,0,0,0|2,0,0]=4 7927 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 7a_100009815206_100000204255 [0,2,0,0,0,0|2,0,0]=4 7928 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,2,0,0,0,0|0,0,2]=4 7929 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,2,0,0,0,0|0,0,2]=4 7930 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,2,0,0,0,0|0,0,2]=4 7931 B10R0.59 C=CC(C)COCC(=O)CC 7a_100011215527_100000747405 [0,2,0,0,0,0|1,0,0]=3 7932 B10R0.59 C=CC(C)COCC(=O)NC 34a_100011215527_100000183359 [0,2,0,0,0,0|2,0,0]=4 7933 B10R0.59 C=CC(C)COCC(=O)NC 7a_100011215527_100000183359 [0,2,0,0,0,0|2,0,0]=4 7934 B10R0.59 C=CC(C)COCC(=O)OC 34a_100011215527_100000747449 [0,2,0,0,0,0|2,0,0]=4 7935 B10R0.59 C=CC(C)COCC(=O)OC 7a_100011215527_100000747449 [0,2,0,0,0,0|2,0,0]=4 7936 B10R0.59 C=CC(C)OCCC(=O)NC 34a_100000695699_100012179268 [0,2,0,0,0,0|2,0,0]=4 7937 B10R0.59 C=CC(C)OCCC(=O)OC 34a_100000695699_100000742370 [0,2,0,0,0,0|2,0,0]=4 7938 B10R0.59 C=CC(C)SCCC(=O)NC 62a_100011215867_100000737683 [0,2,0,0,0,0|2,0,0]=4 7939 B10R0.59 C=CC(C)SCCC(=O)OC 62a_100011215867_100000204255 [0,2,0,0,0,0|2,0,0]=4 7940 B10R0.59 C=CC(O)COCC(=O)CC 34a_100000725409_100000730141 [0,2,0,0,0,0|0,0,2]=4 7941 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000730141_100000747405 [0,2,0,0,0,0|0,0,2]=4 7942 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000747405_100000730141 [0,2,0,0,0,0|0,0,2]=4 7943 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 7944 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 7945 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,2,0,0,0,0|0,0,1]=3 7946 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|0,0,1]=3 7947 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|0,0,1]=3 7948 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|0,0,0]=2 7949 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [0,2,0,0,0,0|1,0,0]=3 7950 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,2,0,0,0,0|1,0,1]=4 7951 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,2,0,0,0,0|1,0,1]=4 7952 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,2,0,0,0,0|1,0,1]=4 7953 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|0,0,0]=2 7954 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|0,0,0]=2 7955 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,2,0,0,0,0|1,0,0]=3 7956 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|0,0,0]=2 7957 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|0,0,0]=2 7958 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,2,0,0,0,0|1,0,0]=3 7959 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [0,2,0,0,0,0|1,0,0]=3 7960 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,2,0,0,0,0|1,0,0]=3 7961 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [0,2,0,0,0,0|0,0,1]=3 7962 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [0,2,0,0,0,0|1,0,1]=4 7963 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [0,2,0,0,0,0|1,0,1]=4 7964 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,2,0,0,0,0|1,0,1]=4 7965 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,2,0,0,0,0|1,0,1]=4 7966 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,2,0,0,0,0|1,0,1]=4 7967 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|0,0,0]=2 7968 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|0,0,0]=2 7969 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|0,0,0]=2 7970 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|0,0,0]=2 7971 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,2,0,0,0,0|1,0,0]=3 7972 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,2,0,0,0,0|1,0,0]=3 7973 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|0,0,0]=2 7974 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|0,0,0]=2 7975 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,2,0,0,0,0|1,0,0]=3 7976 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,2,0,0,0,0|1,0,0]=3 7977 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [0,2,0,0,0,0|1,0,0]=3 7978 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [0,2,0,0,0,0|1,0,0]=3 7979 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,2,0,0,0,0|1,0,0]=3 7980 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,2,0,0,0,0|1,0,0]=3 7981 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 7982 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 7983 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 7984 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,2,0,0,0,0|1,0,1]=4 7985 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|0,0,0]=2 7986 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|0,0,0]=2 7987 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|0,0,0]=2 7988 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|0,0,0]=2 7989 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,2,0,0,0,0|1,0,0]=3 7990 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,2,0,0,0,0|1,0,0]=3 7991 B10R0.59 CCC(=O)NN=CC(C)CC 4a_100000183195_100000243153 [0,2,0,0,0,0|1,0,1]=4 7992 B10R0.59 CCC(=O)NNCC(C)C#N 22a_100000045663_100000210414 [0,2,0,0,0,0|2,0,0]=4 7993 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [0,2,0,0,0,0|1,0,0]=3 7994 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 7995 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 7996 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|1,0,0]=3 7997 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|1,0,0]=3 7998 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|1,0,0]=3 7999 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|1,0,0]=3 8000 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|1,0,0]=3 8001 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|1,0,0]=3 8002 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [0,2,0,0,0,0|1,0,1]=4 8003 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,2,0,0,0,0|1,0,1]=4 8004 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|1,0,0]=3 8005 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|1,0,0]=3 8006 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|1,0,0]=3 8007 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|1,0,0]=3 8008 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [0,2,0,0,0,0|1,0,1]=4 8009 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [0,2,0,0,0,0|1,0,1]=4 8010 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [0,2,0,0,0,0|0,0,2]=4 8011 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [0,2,0,0,0,0|0,0,2]=4 8012 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [0,2,0,0,0,0|0,0,2]=4 8013 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [0,2,0,0,0,0|1,0,1]=4 8014 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|1,0,0]=3 8015 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [0,2,0,0,0,0|1,0,1]=4 8016 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|1,0,0]=3 8017 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|1,0,0]=3 8018 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|1,0,0]=3 8019 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|1,0,0]=3 8020 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [0,2,0,0,0,0|1,0,1]=4 8021 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [0,2,0,0,0,0|0,0,2]=4 8022 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [0,2,0,0,0,0|0,0,2]=4 8023 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [0,2,0,0,0,0|1,0,1]=4 8024 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [0,2,0,0,0,0|1,0,1]=4 8025 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,2,0,0,0,0|1,0,0]=3 8026 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,2,0,0,0,0|1,0,0]=3 8027 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,2,0,0,0,0|1,0,0]=3 8028 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|1,0,0]=3 8029 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,2,0,0,0,0|1,0,0]=3 8030 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,2,0,0,0,0|1,0,0]=3 8031 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|1,0,0]=3 8032 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,2,0,0,0,0|1,0,0]=3 8033 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,2,0,0,0,0|1,0,0]=3 8034 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|1,0,0]=3 8035 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|1,0,0]=3 8036 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|2,0,0]=4 8037 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,2,0,0,0,0|1,0,0]=3 8038 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,2,0,0,0,0|1,0,0]=3 8039 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|1,0,0]=3 8040 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,2,0,0,0,0|0,0,2]=4 8041 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [0,2,0,0,0,0|0,0,2]=4 8042 B10R0.59 CCC(O)CNNC(=O)CO 22a_100015206393_100000210174 [0,2,0,0,0,0|2,0,0]=4 8043 B10R0.59 CCC(O)CNNC(=O)NC 273464a_100102657272_100015206393 [0,2,0,0,0,0|2,0,0]=4 8044 B10R0.59 CCC(O)CNNC(=O)NC 512a_100015206393_100102657272 [0,2,0,0,0,0|2,0,0]=4 8045 B10R0.59 CCC(O)CNNC(=O)NC 512a_106832991638_100015206393 [0,2,0,0,0,0|2,0,0]=4 8046 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,2,0,0,0,0|1,0,0]=3 8047 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,2,0,0,0,0|0,0,2]=4 8048 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,2,0,0,0,0|1,0,0]=3 8049 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,2,0,0,0,0|1,0,0]=3 8050 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|1,0,0]=3 8051 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|1,0,0]=3 8052 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [0,2,0,0,0,0|0,0,2]=4 8053 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [0,2,0,0,0,0|0,0,2]=4 8054 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [0,2,0,0,0,0|0,0,2]=4 8055 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|1,0,0]=3 8056 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,2,0,0,0,0|1,0,0]=3 8057 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,2,0,0,0,0|1,0,0]=3 8058 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 8059 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 8060 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|1,0,0]=3 8061 B10R0.59 CCN(C)CCCN(C)CC 2230a_100000225621_100015186262 [0,2,0,0,0,0|2,0,0]=4 8062 B10R0.59 CCN(C)CCCN(C)CC 269982a_100000225621_100015186262 [0,2,0,0,0,0|2,0,0]=4 8063 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [0,2,0,0,0,0|2,0,0]=4 8064 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|1,0,0]=3 8065 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|1,0,0]=3 8066 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|1,0,0]=3 8067 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|1,0,0]=3 8068 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [0,2,0,0,0,0|1,0,1]=4 8069 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|1,0,0]=3 8070 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|1,0,0]=3 8071 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|1,0,0]=3 8072 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|1,0,0]=3 8073 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [0,2,0,0,0,0|1,0,1]=4 8074 B10R0.59 CN(CCCC(=O)CF)N=O 1458a_200000076914_100015361967 [0,2,0,0,0,0|2,0,0]=4 8075 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,2,0,0,0,0|1,0,1]=4 8076 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,2,0,0,0,0|1,0,1]=4 8077 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 8078 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 8079 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 8080 B10R0.59 CNC(=O)CCCN(C)N=O 11a_106832991635_200000076914 [0,2,0,0,0,0|2,0,0]=4 8081 B10R0.59 CNC(=O)CCCN(C)N=O 1626a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 8082 B10R0.59 CNC(=O)CCCN(C)N=O 240690a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 8083 B10R0.59 CNC(=O)CCCN(C)N=O 527a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 8084 B10R0.59 CNC(=O)CCNC(C)C#N 2230a_100000737613_100000737683 [0,2,0,0,0,0|2,0,0]=4 8085 B10R0.59 CNC(=O)CCNC(C)C#N 2230a_100000738227_100000184139 [0,2,0,0,0,0|2,0,0]=4 8086 B10R0.59 CNC(=O)CCNC(C)CO 2230a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 8087 B10R0.59 CNC(=O)CCNC(C)CO 34a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 8088 B10R0.59 CNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737683 [0,2,0,0,0,0|2,0,0]=4 8089 B10R0.59 CNC(=O)CCOC(C)C#N 34a_100011218135_100012179268 [0,2,0,0,0,0|2,0,0]=4 8090 B10R0.59 CNC(=O)CCOC(C)CF 34a_100016041109_100012179268 [0,2,0,0,0,0|2,0,0]=4 8091 B10R0.59 CNC(=O)CCOC(C)CF 7a_100016041109_100000737683 [0,2,0,0,0,0|2,0,0]=4 8092 B10R0.59 CNC(=O)CCOC(C)CN 34a_100000210904_100012179268 [0,2,0,0,0,0|2,0,0]=4 8093 B10R0.59 CNC(=O)CCOC(C)CO 34a_100000754576_100012180447 [0,2,0,0,0,0|2,0,0]=4 8094 B10R0.59 CNC(=O)CCSC(C)C#N 62a_100000703298_100000737683 [0,2,0,0,0,0|2,0,0]=4 8095 B10R0.59 CNC(=O)CCSC(C)C#N 62a_100000737683_100000703298 [0,2,0,0,0,0|2,0,0]=4 8096 B10R0.59 CNC(=O)CCSC(C)CO 62a_100012180447_100000737683 [0,2,0,0,0,0|2,0,0]=4 8097 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,2,0,0,0,0|2,0,0]=4 8098 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,2,0,0,0,0|2,0,0]=4 8099 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100000737683_100016084084 [0,2,0,0,0,0|2,0,0]=4 8100 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737683 [0,2,0,0,0,0|2,0,0]=4 8101 B10R0.59 CNC(=O)CNCC(C)CO 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 8102 B10R0.59 CNC(=O)CNCC(O)CO 2230a_100000693194_100011219619 [0,2,0,0,0,0|2,0,0]=4 8103 B10R0.59 CNC(=O)CNC[C@@H](C)CO 2230a_100000693194_100000059175 [0,2,0,0,0,0|2,0,0]=4 8104 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,2,0,0,0,0|2,0,0]=4 8105 B10R0.59 CNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183359 [0,2,0,0,0,0|2,0,0]=4 8106 B10R0.59 CNC(=O)CNC[C@@H](O)CF 2230a_100000693194_100015614560 [0,2,0,0,0,0|2,0,0]=4 8107 B10R0.59 CNC(=O)CNC[C@@H](O)CO 2230a_100000693194_100009815848 [0,2,0,0,0,0|2,0,0]=4 8108 B10R0.59 CNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183359 [0,2,0,0,0,0|2,0,0]=4 8109 B10R0.59 CNC(=O)COCC(C)CN 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 8110 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,2,0,0,0,0|2,0,0]=4 8111 B10R0.59 CNC(=O)COCC(Cl)CCl 34a_100000033668_100000183359 [0,2,0,0,0,0|2,0,0]=4 8112 B10R0.59 CNC(=O)COCC(O)CO 34a_100000750040_100011219619 [0,2,0,0,0,0|2,0,0]=4 8113 B10R0.59 CNC(=O)COC[C@@H](C)CO 34a_100000750040_100000059175 [0,2,0,0,0,0|2,0,0]=4 8114 B10R0.59 CNC(=O)COC[C@@H](O)CF 34a_100000750040_100015614560 [0,2,0,0,0,0|2,0,0]=4 8115 B10R0.59 CNC(=O)COC[C@@H](O)CO 34a_100000750040_100009815848 [0,2,0,0,0,0|2,0,0]=4 8116 B10R0.59 CNC(=O)COC[C@H](F)CN 34a_100015665980_100000183359 [0,2,0,0,0,0|2,0,0]=4 8117 B10R0.59 CNC(=O)CSCC(O)CO 62a_100000183359_100011219619 [0,2,0,0,0,0|2,0,0]=4 8118 B10R0.59 CNC(=O)CSCC(O)CO 62a_100011219619_100000183359 [0,2,0,0,0,0|2,0,0]=4 8119 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183359 [0,2,0,0,0,0|2,0,0]=4 8120 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000183359_100000059175 [0,2,0,0,0,0|2,0,0]=4 8121 B10R0.59 CNC(=O)CSC[C@@H](O)CF 62a_100000183359_100015614560 [0,2,0,0,0,0|2,0,0]=4 8122 B10R0.59 CNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183359 [0,2,0,0,0,0|2,0,0]=4 8123 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100000183359_100009815848 [0,2,0,0,0,0|2,0,0]=4 8124 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183359 [0,2,0,0,0,0|2,0,0]=4 8125 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 8126 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 8127 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 8128 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 8129 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [0,2,0,0,0,0|2,0,0]=4 8130 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,2,0,0,0,0|1,0,1]=4 8131 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|1,0,1]=4 8132 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,2,0,0,0,0|2,0,0]=4 8133 B10R0.59 COC(=O)CCNC(C)C#N 2230a_100000737613_100000204255 [0,2,0,0,0,0|2,0,0]=4 8134 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,2,0,0,0,0|2,0,0]=4 8135 B10R0.59 COC(=O)CCOC(C)C#N 34a_100011218135_100000742370 [0,2,0,0,0,0|2,0,0]=4 8136 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,2,0,0,0,0|2,0,0]=4 8137 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,2,0,0,0,0|2,0,0]=4 8138 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,2,0,0,0,0|2,0,0]=4 8139 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000204255_100000703298 [0,2,0,0,0,0|2,0,0]=4 8140 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000703298_100000204255 [0,2,0,0,0,0|2,0,0]=4 8141 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,2,0,0,0,0|2,0,0]=4 8142 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,2,0,0,0,0|2,0,0]=4 8143 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,2,0,0,0,0|2,0,0]=4 8144 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,2,0,0,0,0|2,0,0]=4 8145 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,2,0,0,0,0|2,0,0]=4 8146 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 8147 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|2,0,0]=4 8148 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 8149 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|2,0,0]=4 8150 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 8151 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|2,0,0]=4 8152 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,2,0,0,0,0|2,0,0]=4 8153 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 8154 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,2,0,0,0,0|2,0,0]=4 8155 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,2,0,0,0,0|2,0,0]=4 8156 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|2,0,0]=4 8157 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|2,0,0]=4 8158 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,2,0,0,0,0|2,0,0]=4 8159 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,2,0,0,0,0|2,0,0]=4 8160 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,2,0,0,0,0|2,0,0]=4 8161 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,2,0,0,0,0|2,0,0]=4 8162 B10R0.60 CC(C)(C)CCNC(=O)CO 240690a_100000738805_100000210174 [0,2,0,0,0,0|2,0,0]=4 8163 B10R0.60 CC(C)(C)CCNC(=O)CO 527a_100000738805_100000210174 [0,2,0,0,0,0|2,0,0]=4 8164 B10R0.60 CC(C)(F)CCNC(=O)CO 240690a_100016253952_100000210174 [0,2,0,0,0,0|2,0,0]=4 8165 B10R0.60 CC(C)(F)CCNC(=O)CO 527a_100016253952_100000210174 [0,2,0,0,0,0|2,0,0]=4 8166 B10R0.60 CC(C)(O)CCNC(=O)CO 527a_100000707701_100000210174 [0,2,0,0,0,0|2,0,0]=4 8167 B10R0.60 CCC(=O)CCCC(F)(F)F 1458a_100000210414_100011216173 [0,2,0,0,0,0|1,0,0]=3 8168 B10R0.60 CCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210202 [0,2,0,0,0,0|1,0,0]=3 8169 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [0,2,0,0,0,0|1,0,0]=3 8170 B10R0.60 CCC(=O)CCCS(=O)(=O)N 1458a_100000210414_100000750626 [0,2,0,0,0,0|2,0,0]=4 8171 B10R0.60 CCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210202 [0,2,0,0,0,0|2,0,0]=4 8172 B10R0.60 CCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210414_100009813499 [0,2,0,0,0,0|2,0,0]=4 8173 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210202 [0,2,0,0,0,0|1,0,0]=3 8174 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000210414_100016990835 [0,2,0,0,0,0|1,0,0]=3 8175 B10R0.60 CCC(=O)CCC[Si](C)(C)C 1458a_100000210414_100011219597 [0,2,0,0,0,0|0,1,0]=3 8176 B10R0.60 CCC(=O)CCNS(=O)(=O)C 1458a_100000165793_100000210202 [0,2,0,0,0,0|2,0,0]=4 8177 B10R0.60 CCC(=O)CCNS(=O)(=O)C 1458a_100000210414_100000754112 [0,2,0,0,0,0|2,0,0]=4 8178 B10R0.60 CCC(=O)CCOS(=O)(=O)C 1458a_100000210414_200000036756 [0,2,0,0,0,0|2,0,0]=4 8179 B10R0.60 CCC(=O)CCO[Si](C)(C)C 1458a_100000210414_200000032530 [0,2,0,0,0,0|1,1,0]=4 8180 B10R0.60 CCC(=O)COCC(C)(C)C 34a_100000725409_100011219605 [0,2,0,0,0,0|1,0,0]=3 8181 B10R0.60 CCC(=O)COCC(C)(C)F 34a_100000725409_100011997219 [0,2,0,0,0,0|1,0,0]=3 8182 B10R0.60 CCC(=O)COCC(C)(C)O 34a_100000725409_100000764493 [0,2,0,0,0,0|1,0,0]=3 8183 B10R0.60 CCC(=O)COCC(F)(F)F 1458a_100000735257_100000210202 [0,2,0,0,0,0|2,0,0]=4 8184 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100000747405_100011219605 [0,2,0,0,0,0|1,0,0]=3 8185 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100011219605_100000747405 [0,2,0,0,0,0|1,0,0]=3 8186 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100000747405_100011997219 [0,2,0,0,0,0|1,0,0]=3 8187 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100011997219_100000747405 [0,2,0,0,0,0|1,0,0]=3 8188 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000747405_100000764493 [0,2,0,0,0,0|1,0,0]=3 8189 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000764493_100000747405 [0,2,0,0,0,0|1,0,0]=3 8190 B10R0.60 CCC(=O)CSCC(F)(F)F 62a_100000747405_100000763148 [0,2,0,0,0,0|2,0,0]=4 8191 B10R0.60 CCC(=O)CSCC(F)(F)F 62a_100000763148_100000747405 [0,2,0,0,0,0|2,0,0]=4 8192 B10R0.60 CCC(=O)CSC[N+](C)(C)C 62a_100000747405_200000036245 [0,2,0,0,0,0|2,0,0]=4 8193 B10R0.60 CCC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747405 [0,2,0,0,0,0|2,0,0]=4 8194 B10R0.60 CCC(=O)CSC[Si](C)(C)C 62a_100000037933_100000747405 [0,2,0,0,0,0|1,1,0]=4 8195 B10R0.60 CCC(=O)CSC[Si](C)(C)C 62a_100000747405_100000037933 [0,2,0,0,0,0|1,1,0]=4 8196 B10R0.60 CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210414 [0,2,0,0,0,0|1,0,0]=3 8197 B10R0.60 CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210414 [0,2,0,0,0,0|1,0,0]=3 8198 B10R0.60 CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210414 [0,2,0,0,0,0|1,0,0]=3 8199 B10R0.60 CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210414 [0,2,0,0,0,0|1,0,0]=3 8200 B10R0.60 CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210414 [0,2,0,0,0,0|1,0,0]=3 8201 B10R0.60 CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210414 [0,2,0,0,0,0|1,0,0]=3 8202 B10R0.60 CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210414 [0,2,0,0,0,0|1,0,0]=3 8203 B10R0.60 CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210414 [0,2,0,0,0,0|1,0,0]=3 8204 B10R0.60 CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210414 [0,2,0,0,0,0|1,0,0]=3 8205 B10R0.60 CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210414 [0,2,0,0,0,0|1,0,0]=3 8206 B10R0.60 CCC(=O)NCCC(F)(F)F 11a_100000740434_100000210414 [0,2,0,0,0,0|2,0,0]=4 8207 B10R0.60 CCC(=O)NCCC(F)(F)F 1626a_100000740434_100000210414 [0,2,0,0,0,0|2,0,0]=4 8208 B10R0.60 CCC(=O)NCCC(F)(F)F 240690a_100000740434_100000210414 [0,2,0,0,0,0|2,0,0]=4 8209 B10R0.60 CCC(=O)NCCC(F)(F)F 527a_100000740434_100000210414 [0,2,0,0,0,0|2,0,0]=4 8210 B10R0.60 CCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000210414 [0,2,0,0,0,0|2,0,0]=4 8211 B10R0.60 CCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210414 [0,2,0,0,0,0|2,0,0]=4 8212 B10R0.60 CCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210414 [0,2,0,0,0,0|2,0,0]=4 8213 B10R0.60 CCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000210414 [0,2,0,0,0,0|2,0,0]=4 8214 B10R0.60 CCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210414 [0,2,0,0,0,0|2,0,0]=4 8215 B10R0.60 CCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210414 [0,2,0,0,0,0|2,0,0]=4 8216 B10R0.60 CCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210414 [0,2,0,0,0,0|2,0,0]=4 8217 B10R0.60 CCN(C)CCCC(C)(C)O 2230a_100000225621_100009888830 [0,2,0,0,0,0|2,0,0]=4 8218 B10R0.60 CCN(C)CCCC(C)(C)O 269982a_100000225621_100009888830 [0,2,0,0,0,0|2,0,0]=4 8219 B10R0.60 CNC(=O)CCCC(F)(F)F 11a_106832991635_100000764234 [0,2,0,0,0,0|2,0,0]=4 8220 B10R0.60 CNC(=O)CCCC(F)(F)F 1626a_100102657272_100000764234 [0,2,0,0,0,0|2,0,0]=4 8221 B10R0.60 CNC(=O)CCCC(F)(F)F 240690a_100102657272_100000764234 [0,2,0,0,0,0|2,0,0]=4 8222 B10R0.60 CNC(=O)CCCC(F)(F)F 527a_100102657272_100000764234 [0,2,0,0,0,0|2,0,0]=4 8223 B10R0.60 CNC(=O)CCC[N+](C)(C)C 11a_106832991635_100000085584 [0,2,0,0,0,0|2,0,0]=4 8224 B10R0.60 CNC(=O)CCC[N+](C)(C)C 1626a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 8225 B10R0.60 CNC(=O)CCC[N+](C)(C)C 240690a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 8226 B10R0.60 CNC(=O)CCC[N+](C)(C)C 527a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 8227 B10R0.60 CNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737683 [0,2,0,0,0,0|2,0,0]=4 8228 B10R0.60 CNC(=O)CCNC(C)(C)C 34a_100000738227_100000210625 [0,2,0,0,0,0|2,0,0]=4 8229 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100000754576_100000210625 [0,2,0,0,0,0|2,0,0]=4 8230 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100015890283_100012179268 [0,2,0,0,0,0|2,0,0]=4 8231 B10R0.60 CNC(=O)CCOC(C)(C)C 7a_100015890283_100000737683 [0,2,0,0,0,0|2,0,0]=4 8232 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000211941_100000737683 [0,2,0,0,0,0|2,0,0]=4 8233 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000737683_100000211941 [0,2,0,0,0,0|2,0,0]=4 8234 B10R0.60 CNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183359 [0,2,0,0,0,0|2,0,0]=4 8235 B10R0.60 CNC(=O)CNCC(C)(C)C 270004a_100000693194_100011204126 [0,2,0,0,0,0|2,0,0]=4 8236 B10R0.60 CNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183359 [0,2,0,0,0,0|2,0,0]=4 8237 B10R0.60 CNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183359 [0,2,0,0,0,0|2,0,0]=4 8238 B10R0.60 CNC(=O)COCC(C)(C)C 34a_100000750040_100011219605 [0,2,0,0,0,0|2,0,0]=4 8239 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000716592_100000183359 [0,2,0,0,0,0|2,0,0]=4 8240 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000750040_100011997219 [0,2,0,0,0,0|2,0,0]=4 8241 B10R0.60 CNC(=O)COCC(C)(C)O 34a_100000750040_100000764493 [0,2,0,0,0,0|2,0,0]=4 8242 B10R0.60 CNC(=O)COCC(C)(F)F 34a_100000068830_100000183359 [0,2,0,0,0,0|2,0,0]=4 8243 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100000183359_100011219605 [0,2,0,0,0,0|2,0,0]=4 8244 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100011219605_100000183359 [0,2,0,0,0,0|2,0,0]=4 8245 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100000183359_100011997219 [0,2,0,0,0,0|2,0,0]=4 8246 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100011997219_100000183359 [0,2,0,0,0,0|2,0,0]=4 8247 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000183359_100000764493 [0,2,0,0,0,0|2,0,0]=4 8248 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000764493_100000183359 [0,2,0,0,0,0|2,0,0]=4 8249 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100000738805_106832991635 [0,2,0,0,0,0|2,0,0]=4 8250 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100102657272_100000738805 [0,2,0,0,0,0|2,0,0]=4 8251 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100000738805_100102657272 [0,2,0,0,0,0|2,0,0]=4 8252 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100102657272_100000738805 [0,2,0,0,0,0|2,0,0]=4 8253 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_100000738805_100102657272 [0,2,0,0,0,0|2,0,0]=4 8254 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_106832991638_100000738805 [0,2,0,0,0,0|2,0,0]=4 8255 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100016253952_106832991635 [0,2,0,0,0,0|2,0,0]=4 8256 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100102657272_100016253952 [0,2,0,0,0,0|2,0,0]=4 8257 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100016253952_100102657272 [0,2,0,0,0,0|2,0,0]=4 8258 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100102657272_100016253952 [0,2,0,0,0,0|2,0,0]=4 8259 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_100016253952_100102657272 [0,2,0,0,0,0|2,0,0]=4 8260 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_106832991638_100016253952 [0,2,0,0,0,0|2,0,0]=4 8261 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100000707701_106832991635 [0,2,0,0,0,0|2,0,0]=4 8262 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100102657272_100000707701 [0,2,0,0,0,0|2,0,0]=4 8263 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100000707701_100102657272 [0,2,0,0,0,0|2,0,0]=4 8264 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100102657272_100000707701 [0,2,0,0,0,0|2,0,0]=4 8265 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_100000707701_100102657272 [0,2,0,0,0,0|2,0,0]=4 8266 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_106832991638_100000707701 [0,2,0,0,0,0|2,0,0]=4 8267 B10R0.60 COC(=O)CCNC(C)(C)C 2230a_100000715429_100000204255 [0,2,0,0,0,0|2,0,0]=4 8268 B10R0.60 COC(=O)CCOC(C)(C)C 34a_100015890283_100000742370 [0,2,0,0,0,0|2,0,0]=4 8269 B10R0.60 COC(=O)CCOC(C)(C)C 7a_100015890283_100000204255 [0,2,0,0,0,0|2,0,0]=4 8270 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000204255_100000211941 [0,2,0,0,0,0|2,0,0]=4 8271 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000211941_100000204255 [0,2,0,0,0,0|2,0,0]=4 8272 B10R0.60 COC(=O)CNCC(C)(C)C 2230a_100000743828_100000747449 [0,2,0,0,0,0|2,0,0]=4 8273 B10R0.60 COC(=O)CNCC(C)(C)F 2230a_100020643315_100000747449 [0,2,0,0,0,0|2,0,0]=4 8274 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,2,0,0,0,0|2,0,0]=4 8275 B10R0.60 COC(=O)COCC(C)(C)F 34a_100000716592_100000747449 [0,2,0,0,0,0|2,0,0]=4 8276 B10R0.60 COC(=O)COCC(C)(F)F 34a_100000068830_100000747449 [0,2,0,0,0,0|2,0,0]=4 8277 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100000747449_100011219605 [0,2,0,0,0,0|2,0,0]=4 8278 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100011219605_100000747449 [0,2,0,0,0,0|2,0,0]=4 8279 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100000747449_100011997219 [0,2,0,0,0,0|2,0,0]=4 8280 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100011997219_100000747449 [0,2,0,0,0,0|2,0,0]=4 8281 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,2,0,0,0,0|2,0,0]=4 8282 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,2,0,0,0,0|2,0,0]=4 8283 B10R0.60 CS(=O)(=O)CCCC(=O)CO 1458a_100000210174_100000754308 [0,2,0,0,0,0|2,0,0]=4 8284 B10R0.60 C[N+](C)(C)CCCC(=O)CF 1458a_100000085584_100015361967 [0,2,0,0,0,0|2,0,0]=4 8285 B10R0.60 C[N+](C)(C)CCCC(=O)CO 1458a_100000210174_100016990835 [0,2,0,0,0,0|2,0,0]=4 8286 B10R0.60 C[Si](C)(C)CCCC(=O)CO 1458a_100000210174_100011219597 [0,2,0,0,0,0|1,1,0]=4 8287 B10R0.60 O=C(CF)CCCC(F)(F)F 1458a_100000764234_100015361967 [0,2,0,0,0,0|2,0,0]=4 8288 B10R0.60 O=C(CO)CCCC(F)(F)F 1458a_100000210174_100011216173 [0,2,0,0,0,0|2,0,0]=4 8289 B10R0.65 CCS(=O)(=O)CCNC(C)C 2230a_100000751051_100000210206 [0,2,0,0,0,0|2,0,0]=4 8290 B10R0.65 CCS(=O)(=O)CCNC(C)C 2230a_100138425928_100000756660 [0,2,0,0,0,0|2,0,0]=4 8291 B10R0.65 CCS(=O)(=O)CCNC(C)C 34a_100000751051_100000210206 [0,2,0,0,0,0|2,0,0]=4 8292 B10R0.65 CCS(=O)(=O)CCNC(C)C 34a_100138425928_100000756660 [0,2,0,0,0,0|2,0,0]=4 8293 B10R0.65 CCS(=O)(=O)CCOC(C)C 34a_100000212225_100000756660 [0,2,0,0,0,0|2,0,0]=4 8294 B10R0.65 CCS(=O)(=O)CCOC(C)C 34a_200011216379_100000210206 [0,2,0,0,0,0|2,0,0]=4 8295 B10R0.65 CCS(=O)(=O)CCOC(C)C 7a_200011216379_100000210206 [0,2,0,0,0,0|2,0,0]=4 8296 B10R0.65 CCS(=O)(=O)CCSC(C)C 62a_100000210206_100000756660 [0,2,0,0,0,0|2,0,0]=4 8297 B10R0.65 CCS(=O)(=O)CCSC(C)C 62a_100000756660_100000210206 [0,2,0,0,0,0|2,0,0]=4 8298 B10R0.65 CCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000211323 [0,2,0,0,0,0|2,0,0]=4 8299 B10R0.65 CCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000211323 [0,2,0,0,0,0|2,0,0]=4 8300 B10R0.65 CCS(=O)(=O)NCCC(C)C 40a_100000210545_100000053943 [0,2,0,0,0,0|2,0,0]=4 8301 B10R0.65 CCS(=O)(=O)NCCC(C)O 270084a_200000755665_100000211323 [0,2,0,0,0,0|2,0,0]=4 8302 B10R0.65 CCS(=O)(=O)NCCC(C)O 274078a_200000755665_100000211323 [0,2,0,0,0,0|2,0,0]=4 8303 B10R0.65 CCS(=O)(=O)NCCC(C)O 40a_200000755665_100000053943 [0,2,0,0,0,0|2,0,0]=4 8304 B10R0.77 CCN(CC)CCCC(C)C 2230a_100000724800_100011214892 [0,2,0,0,0,0|2,0,0]=4 8305 B10R0.77 CCN(CC)CCCC(C)C 269956a_100000042499_100011214892 [0,2,0,0,0,0|2,0,0]=4 8306 B10R0.77 CCN(CC)CCCC(C)C 269982a_100000724800_100011214892 [0,2,0,0,0,0|2,0,0]=4 8307 B10R0.77 CCN(CC)CCCC(C)O 2230a_100000724800_200000718107 [0,2,0,0,0,0|2,0,0]=4 8308 B10R0.77 CCN(CC)CCCC(C)O 269956a_100000042499_200000718107 [0,2,0,0,0,0|2,0,0]=4 8309 B10R0.77 CCN(CC)CCCC(C)O 269982a_100000724800_200000718107 [0,2,0,0,0,0|2,0,0]=4 8310 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,2,0,0,0,0|1,0,1]=4 8311 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,2,0,0,0,0|1,0,1]=4 8312 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,2,0,0,0,0|1,0,1]=4 8313 B10R0.82 CC(C)C(=O)CN[C@H](C)CO 2230a_100000737577_100000753385 [0,2,0,0,0,0|2,0,0]=4 8314 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100000753385_100016084084 [0,2,0,0,0,0|2,0,0]=4 8315 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100016084084_100000753385 [0,2,0,0,0,0|2,0,0]=4 8316 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000210198 [0,2,0,0,0,0|2,0,0]=4 8317 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100000210198 [0,2,0,0,0,0|2,0,0]=4 8318 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000210198 [0,2,0,0,0,0|2,0,0]=4 8319 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000210198 [0,2,0,0,0,0|2,0,0]=4 8320 B10R0.82 CC(C)C(O)CNC(=O)CO 240690a_100000759067_100000210174 [0,2,0,0,0,0|2,0,0]=4 8321 B10R0.82 CC(C)C(O)CNC(=O)CO 527a_100000759067_100000210174 [0,2,0,0,0,0|2,0,0]=4 8322 B10R0.82 CC(C)N(C)CCC(=O)CF 1458a_100015184040_100015361967 [0,2,0,0,0,0|2,0,0]=4 8323 B10R0.82 CC(CF)OCC(=O)C(C)C 34a_100016041109_100000753385 [0,2,0,0,0,0|2,0,0]=4 8324 B10R0.82 CC(CF)OCC(=O)C(C)C 7a_100016041109_100000753385 [0,2,0,0,0,0|2,0,0]=4 8325 B10R0.82 CC(CN)OCC(=O)C(C)C 34a_100000210904_100000753385 [0,2,0,0,0,0|2,0,0]=4 8326 B10R0.82 CC(CO)CNC(=O)C(C)C 240690a_100000744482_100000210198 [0,2,0,0,0,0|2,0,0]=4 8327 B10R0.82 CC(CO)CNC(=O)C(C)C 527a_100000744482_100000210198 [0,2,0,0,0,0|2,0,0]=4 8328 B10R0.82 CC(CO)CNC(=O)C(C)F 240690a_100000744482_100000062450 [0,2,0,0,0,0|2,0,0]=4 8329 B10R0.82 CC(CO)CNC(=O)C(C)F 527a_100000744482_100000062450 [0,2,0,0,0,0|2,0,0]=4 8330 B10R0.82 CC(CO)CNC(=O)[C@@H](C)O 240690a_100000744482_100000717761 [0,2,0,0,0,0|2,0,0]=4 8331 B10R0.82 CC(CO)CNC(=O)[C@H](C)O 240690a_100000744482_217856618621 [0,2,0,0,0,0|2,0,0]=4 8332 B10R0.82 CC(CO)SCC(=O)C(C)C 62a_100012180447_100000753385 [0,2,0,0,0,0|2,0,0]=4 8333 B10R0.82 CC(F)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000062450 [0,2,0,0,0,0|2,0,0]=4 8334 B10R0.82 CC(F)C(=O)NC[C@@H](F)CO 527a_100015665980_100000062450 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.82 CC(F)C(=O)NC[C@H](O)CO 240690a_100020644852_100000062450 [0,2,0,0,0,0|2,0,0]=4 8336 B10R0.82 CC(F)C(=O)NC[C@H](O)CO 527a_100020644852_100000062450 [0,2,0,0,0,0|2,0,0]=4 8337 B10R0.82 CCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210202 [0,2,0,0,0,0|1,0,1]=4 8338 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,2,0,0,0,0|1,0,1]=4 8339 B10R0.82 CCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210202 [0,2,0,0,0,0|1,0,0]=3 8340 B10R0.82 CCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210202 [0,2,0,0,0,0|1,0,1]=4 8341 B10R0.82 CCC(=O)COC(=O)C(C)C 1458a_100000210414_100000139345 [0,2,0,0,0,0|1,0,1]=4 8342 B10R0.82 CCC(=O)COC(C)C(C)C 7a_100000748068_100000747405 [0,2,0,0,0,0|1,0,0]=3 8343 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,2,0,0,0,0|1,0,1]=4 8344 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,2,0,0,0,0|1,0,1]=4 8345 B10R0.82 CCC(=O)NCC(=O)C(C)C 1458a_100000194589_100000210206 [0,2,0,0,0,0|1,0,1]=4 8346 B10R0.82 CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210414 [0,2,0,0,0,0|1,0,0]=3 8347 B10R0.82 CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210414 [0,2,0,0,0,0|1,0,0]=3 8348 B10R0.82 CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210414 [0,2,0,0,0,0|1,0,0]=3 8349 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|0,0,0]=2 8350 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 8351 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 8352 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 8353 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 8354 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,2,0,0,0,0|1,0,0]=3 8355 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,2,0,0,0,0|1,0,0]=3 8356 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,2,0,0,0,0|1,0,0]=3 8357 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,2,0,0,0,0|1,0,0]=3 8358 B10R0.82 CCC(C)CNC(=O)C(C)F 11a_100020588543_100000062450 [0,2,0,0,0,0|1,0,0]=3 8359 B10R0.82 CCC(C)CNC(=O)C(C)F 1626a_100020588543_100000062450 [0,2,0,0,0,0|1,0,0]=3 8360 B10R0.82 CCC(C)CNC(=O)C(C)F 240690a_100020588543_100000062450 [0,2,0,0,0,0|1,0,0]=3 8361 B10R0.82 CCC(C)CNC(=O)C(C)F 527a_100020588543_100000062450 [0,2,0,0,0,0|1,0,0]=3 8362 B10R0.82 CCC(C)CNC(=O)C(F)F 11a_100020588543_100000210393 [0,2,0,0,0,0|2,0,0]=4 8363 B10R0.82 CCC(C)CNC(=O)C(F)F 1626a_100020588543_100000210393 [0,2,0,0,0,0|2,0,0]=4 8364 B10R0.82 CCC(C)CNC(=O)C(F)F 240690a_100020588543_100000210393 [0,2,0,0,0,0|2,0,0]=4 8365 B10R0.82 CCC(C)CNC(=O)C(F)F 527a_100020588543_100000210393 [0,2,0,0,0,0|2,0,0]=4 8366 B10R0.82 CCC(C)CNC(=O)C(O)O 240690a_100020588543_100000233687 [0,2,0,0,0,0|2,0,0]=4 8367 B10R0.82 CCC(C)CNC(=O)N(C)C 2708a_100020588543_100102631434 [0,2,0,0,0,0|2,0,0]=4 8368 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,2,0,0,0,0|1,0,0]=3 8369 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,2,0,0,0,0|1,0,0]=3 8370 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,2,0,0,0,0|1,0,0]=3 8371 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [0,2,0,0,0,0|1,0,0]=3 8372 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100000209981_100000185267 [0,2,0,0,0,0|2,0,0]=4 8373 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100015183351_100000758301 [0,2,0,0,0,0|2,0,0]=4 8374 B10R0.82 CCC(C)NNC(=O)C(C)C 22a_100000718999_100000210198 [0,2,0,0,0,0|2,0,0]=4 8375 B10R0.82 CCC(C)NNC(=O)C(C)F 22a_100000718999_100000062450 [0,2,0,0,0,0|2,0,0]=4 8376 B10R0.82 CCC(C)NNC(=O)[C@@H](C)O 22a_100000718999_100000717761 [0,2,0,0,0,0|2,0,0]=4 8377 B10R0.82 CCC(C)NNC(=O)[C@H](C)O 22a_100000718999_217856618621 [0,2,0,0,0,0|2,0,0]=4 8378 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [0,2,0,0,0,0|1,0,0]=3 8379 B10R0.82 CCC(C)OCC(=O)N(C)C 7a_100000210228_100000692301 [0,2,0,0,0,0|2,0,0]=4 8380 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|1,0,1]=4 8381 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|1,0,1]=4 8382 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [0,2,0,0,0,0|1,0,0]=3 8383 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [0,2,0,0,0,0|1,0,0]=3 8384 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000692301_100000758301 [0,2,0,0,0,0|2,0,0]=4 8385 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000758301_100000692301 [0,2,0,0,0,0|2,0,0]=4 8386 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,2,0,0,0,0|1,0,0]=3 8387 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,2,0,0,0,0|1,0,0]=3 8388 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,2,0,0,0,0|1,0,0]=3 8389 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,2,0,0,0,0|1,0,0]=3 8390 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,2,0,0,0,0|1,0,0]=3 8391 B10R0.82 CCC(O)CNC(=O)C(C)F 11a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 8392 B10R0.82 CCC(O)CNC(=O)C(C)F 240690a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 8393 B10R0.82 CCC(O)CNC(=O)C(C)F 527a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 8394 B10R0.82 CCC(O)CNC(=O)C(F)F 11a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 8395 B10R0.82 CCC(O)CNC(=O)C(F)F 240690a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 8396 B10R0.82 CCC(O)CNC(=O)C(F)F 527a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 8397 B10R0.82 CCC(O)CNC(=O)C(O)O 240690a_100011218483_100000233687 [0,2,0,0,0,0|2,0,0]=4 8398 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,2,0,0,0,0|1,0,0]=3 8399 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,2,0,0,0,0|1,0,0]=3 8400 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [0,2,0,0,0,0|1,0,0]=3 8401 B10R0.82 CCN(C)CCC(=O)N(C)C 2230a_100000225621_100000737620 [0,2,0,0,0,0|2,0,0]=4 8402 B10R0.82 CCN(C)CCC(=O)N(C)C 240690a_100102631434_100000755305 [0,2,0,0,0,0|2,0,0]=4 8403 B10R0.82 CCN(C)CCC(=O)N(C)C 269982a_100000225621_100000737620 [0,2,0,0,0,0|2,0,0]=4 8404 B10R0.82 CCS(=O)CCC(=O)C(C)C 1458a_100011387550_100000210206 [0,2,0,0,0,0|1,0,0]=3 8405 B10R0.82 CCS(=O)CCC(=O)N(C)C 11a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 8406 B10R0.82 CCS(=O)CCC(=O)N(C)C 1626a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 8407 B10R0.82 CCS(=O)CCC(=O)N(C)C 240690a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 8408 B10R0.82 CCS(=O)CCC(=O)N(C)C 527a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 8409 B10R0.82 CNC(=O)CCC(=O)C(C)C 1458a_100011309844_100000210206 [0,2,0,0,0,0|1,0,1]=4 8410 B10R0.82 CNC(=O)CCN(C)C(C)C 1626a_100102657272_100015184040 [0,2,0,0,0,0|2,0,0]=4 8411 B10R0.82 CNC(=O)CCN(C)C(C)C 2230a_100000750875_100000210206 [0,2,0,0,0,0|2,0,0]=4 8412 B10R0.82 CNC(=O)CCN(C)C(C)C 240690a_100102657272_100015184040 [0,2,0,0,0,0|2,0,0]=4 8413 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_100000750875_100000210206 [0,2,0,0,0,0|2,0,0]=4 8414 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737683 [0,2,0,0,0,0|2,0,0]=4 8415 B10R0.82 CNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183359 [0,2,0,0,0,0|2,0,0]=4 8416 B10R0.82 CNC(=O)COC(C)C(C)C 7a_100000748068_100000183359 [0,2,0,0,0,0|2,0,0]=4 8417 B10R0.82 CNC(=O)NCC(O)C(C)C 2708a_100102657272_100000759067 [0,2,0,0,0,0|2,0,0]=4 8418 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100000759067_100102657272 [0,2,0,0,0,0|2,0,0]=4 8419 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100102657272_100000759067 [0,2,0,0,0,0|2,0,0]=4 8420 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_100000759067_100102657272 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_106832991638_100000759067 [0,2,0,0,0,0|2,0,0]=4 8422 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,2,0,0,0,0|1,0,1]=4 8423 B10R0.82 COC(=O)CCN(C)C(C)C 2230a_100000228967_200000210301 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100000228967_200000210301 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100025711912_100000210206 [0,2,0,0,0,0|2,0,0]=4 8426 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_200000211004_100000204255 [0,2,0,0,0,0|2,0,0]=4 8427 B10R0.82 COC(=O)CCN([13CH3])C(C)C 2230a_100000228967_200025704644 [0,2,0,0,0,0|2,0,0]=4 8428 B10R0.82 COC(=O)CCN([13CH3])C(C)C 269982a_100000228967_200025704644 [0,2,0,0,0,0|2,0,0]=4 8429 B10R0.82 COC(=O)CNC(C)C(C)C 2230a_100000211541_100000747449 [0,2,0,0,0,0|2,0,0]=4 8430 B10R0.82 COC(=O)COC(C)C(C)C 7a_100000748068_100000747449 [0,2,0,0,0,0|2,0,0]=4 8431 B10R0.82 COC(C)SCC(=O)C(C)C 62a_100000753385_100009879195 [0,2,0,0,0,0|2,0,0]=4 8432 B10R0.82 COC(C)SCC(=O)C(C)C 62a_100009879195_100000753385 [0,2,0,0,0,0|2,0,0]=4 8433 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 11a_100020591295_100000210198 [0,2,0,0,0,0|2,0,0]=4 8434 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 1626a_100020591295_100000210198 [0,2,0,0,0,0|2,0,0]=4 8435 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 240690a_100020591295_100000210198 [0,2,0,0,0,0|2,0,0]=4 8436 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 527a_100020591295_100000210198 [0,2,0,0,0,0|2,0,0]=4 8437 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 11a_100020591295_100000062450 [0,2,0,0,0,0|2,0,0]=4 8438 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 1626a_100020591295_100000062450 [0,2,0,0,0,0|2,0,0]=4 8439 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 240690a_100020591295_100000062450 [0,2,0,0,0,0|2,0,0]=4 8440 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 527a_100020591295_100000062450 [0,2,0,0,0,0|2,0,0]=4 8441 B10R0.82 CO[C@H](C)CNC(=O)[C@@H](C)O 240690a_100020591295_100000717761 [0,2,0,0,0,0|2,0,0]=4 8442 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 1626a_100020591295_217856618621 [0,2,0,0,0,0|2,0,0]=4 8443 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 240690a_100020591295_217856618621 [0,2,0,0,0,0|2,0,0]=4 8444 B10R0.82 C[C@@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000717761 [0,2,0,0,0,0|2,0,0]=4 8445 B10R0.82 C[C@@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000717761 [0,2,0,0,0,0|2,0,0]=4 8446 B10R0.82 C[C@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_217856618621 [0,2,0,0,0,0|2,0,0]=4 8447 B10R0.82 C[C@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_217856618621 [0,2,0,0,0,0|2,0,0]=4 8448 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,2,0,0,0,0|0,0,2]=4 8449 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|0,0,1]=3 8450 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|0,0,1]=3 8451 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,2,0,0,0,0|1,0,1]=4 8452 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,2,0,0,0,0|1,0,1]=4 8453 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,2,0,0,0,0|1,0,1]=4 8454 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,2,0,0,0,0|1,0,1]=4 8455 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,2,0,0,0,0|1,0,1]=4 8456 B10R0.98 C=C(C)COCC(=O)C(C)C 34a_100000210245_100000753385 [0,2,0,0,0,0|1,0,1]=4 8457 B10R0.98 C=C(C)CSCC(=O)C(C)C 62a_100000748629_100000753385 [0,2,0,0,0,0|1,0,1]=4 8458 B10R0.98 C=C(C)CSCC(=O)C(C)C 62a_100000753385_100000211660 [0,2,0,0,0,0|1,0,1]=4 8459 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [0,2,0,0,0,0|0,0,2]=4 8460 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [0,2,0,0,0,0|0,0,2]=4 8461 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,2,0,0,0,0|0,0,2]=4 8462 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,2,0,0,0,0|0,0,2]=4 8463 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|1,0,1]=4 8464 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|1,0,1]=4 8465 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|1,0,1]=4 8466 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|1,0,1]=4 8467 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|1,0,1]=4 8468 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|1,0,1]=4 8469 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|1,0,1]=4 8470 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|1,0,1]=4 8471 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|1,0,1]=4 8472 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|1,0,1]=4 8473 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|1,0,1]=4 8474 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|1,0,1]=4 8475 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|1,0,1]=4 8476 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,2,0,0,0,0|0,0,1]=3 8477 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,2,0,0,0,0|0,0,1]=3 8478 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [0,2,0,0,0,0|1,0,1]=4 8479 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,2,0,0,0,0|1,0,1]=4 8480 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|0,0,1]=3 8481 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|0,0,1]=3 8482 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,2,0,0,0,0|1,0,1]=4 8483 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,2,0,0,0,0|1,0,1]=4 8484 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,2,0,0,0,0|1,0,1]=4 8485 B10R0.98 CC(=O)NCCC(=O)C(C)F 1458a_100000062450_100000189650 [0,2,0,0,0,0|1,0,1]=4 8486 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,2,0,0,0,0|1,0,1]=4 8487 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,2,0,0,0,0|1,0,1]=4 8488 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,2,0,0,0,0|1,0,1]=4 8489 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [0,2,0,0,0,0|1,0,1]=4 8490 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,2,0,0,0,0|1,0,1]=4 8491 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,2,0,0,0,0|1,0,1]=4 8492 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,2,0,0,0,0|1,0,1]=4 8493 B10R0.98 CC(Br)COCC(=O)C(C)C 34a_100012180447_100000753385 [0,2,0,0,0,0|1,0,0]=3 8494 B10R0.98 CC(Br)COCC(=O)N(C)C 34a_100012180447_100000692301 [0,2,0,0,0,0|2,0,0]=4 8495 B10R0.98 CC(C)/C=C/CC(=O)C(C)C 1458a_100016292215_100000210206 [0,2,0,0,0,0|0,0,2]=4 8496 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,2,0,0,0,0|1,0,1]=4 8497 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [0,2,0,0,0,0|1,0,0]=3 8498 B10R0.98 CC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210206 [0,2,0,0,0,0|2,0,0]=4 8499 B10R0.98 CC(C)C(=O)CNCC(F)F 34a_100000765723_100000753385 [0,2,0,0,0,0|2,0,0]=4 8500 B10R0.98 CC(C)C(=O)COCC(F)F 34a_100000743014_100000753385 [0,2,0,0,0,0|2,0,0]=4 8501 B10R0.98 CC(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000753385 [0,2,0,0,0,0|1,0,0]=3 8502 B10R0.98 CC(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000753385 [0,2,0,0,0,0|1,0,0]=3 8503 B10R0.98 CC(C)C(=O)CSCC(F)F 62a_100000753385_100011934356 [0,2,0,0,0,0|2,0,0]=4 8504 B10R0.98 CC(C)C(=O)CSCC(F)F 62a_100011934356_100000753385 [0,2,0,0,0,0|2,0,0]=4 8505 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,2,0,0,0,0|1,0,0]=3 8506 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,2,0,0,0,0|1,0,0]=3 8507 B10R0.98 CC(C)C(=O)NCCN(C)C 240690a_100000210585_100000210198 [0,2,0,0,0,0|2,0,0]=4 8508 B10R0.98 CC(C)C(=O)NCCN(C)C 527a_100000210585_100000210198 [0,2,0,0,0,0|2,0,0]=4 8509 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,2,0,0,0,0|0,0,0]=2 8510 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,2,0,0,0,0|0,0,0]=2 8511 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,2,0,0,0,0|0,0,0]=2 8512 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,2,0,0,0,0|1,0,0]=3 8513 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 8514 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 8515 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 8516 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 8517 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|0,0,0]=2 8518 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|0,0,0]=2 8519 B10R0.98 CC(C)CCCN(C)C(C)C 269982a_200000211004_100011214892 [0,2,0,0,0,0|2,0,0]=4 8520 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,2,0,0,0,0|1,0,0]=3 8521 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,2,0,0,0,0|1,0,0]=3 8522 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,2,0,0,0,0|1,0,0]=3 8523 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,2,0,0,0,0|1,0,0]=3 8524 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,2,0,0,0,0|1,0,0]=3 8525 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,2,0,0,0,0|1,0,0]=3 8526 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,2,0,0,0,0|1,0,0]=3 8527 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,2,0,0,0,0|1,0,0]=3 8528 B10R0.98 CC(C)CCNC(=O)C(F)F 11a_100000210545_100000210393 [0,2,0,0,0,0|2,0,0]=4 8529 B10R0.98 CC(C)CCNC(=O)C(F)F 1626a_100000210545_100000210393 [0,2,0,0,0,0|2,0,0]=4 8530 B10R0.98 CC(C)CCNC(=O)C(F)F 240690a_100000210545_100000210393 [0,2,0,0,0,0|2,0,0]=4 8531 B10R0.98 CC(C)CCNC(=O)C(F)F 527a_100000210545_100000210393 [0,2,0,0,0,0|2,0,0]=4 8532 B10R0.98 CC(C)CCNC(=O)C(O)O 240690a_100000210545_100000233687 [0,2,0,0,0,0|2,0,0]=4 8533 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,2,0,0,0,0|2,0,0]=4 8534 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,2,0,0,0,0|1,0,0]=3 8535 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,2,0,0,0,0|1,0,0]=3 8536 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,2,0,0,0,0|1,0,0]=3 8537 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,2,0,0,0,0|1,0,0]=3 8538 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,2,0,0,0,0|1,0,0]=3 8539 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100000210953_100000185267 [0,2,0,0,0,0|2,0,0]=4 8540 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100015183351_100000210760 [0,2,0,0,0,0|2,0,0]=4 8541 B10R0.98 CC(C)CNCC(=O)N(C)C 270004a_100015183351_100000210432 [0,2,0,0,0,0|2,0,0]=4 8542 B10R0.98 CC(C)CNCC(=O)N(C)C 34a_100000210953_100000692301 [0,2,0,0,0,0|2,0,0]=4 8543 B10R0.98 CC(C)CNNC(=O)C(C)C 22a_100000696102_100000210198 [0,2,0,0,0,0|2,0,0]=4 8544 B10R0.98 CC(C)CNNC(=O)C(C)F 22a_100000696102_100000062450 [0,2,0,0,0,0|2,0,0]=4 8545 B10R0.98 CC(C)CNNC(=O)[C@@H](C)O 22a_100000696102_100000717761 [0,2,0,0,0,0|2,0,0]=4 8546 B10R0.98 CC(C)CNNC(=O)[C@H](C)O 22a_100000696102_217856618621 [0,2,0,0,0,0|2,0,0]=4 8547 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [0,2,0,0,0,0|1,0,0]=3 8548 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [0,2,0,0,0,0|1,0,0]=3 8549 B10R0.98 CC(C)COCC(=O)N(C)C 11a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 8550 B10R0.98 CC(C)COCC(=O)N(C)C 1626a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 8551 B10R0.98 CC(C)COCC(=O)N(C)C 240690a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 8552 B10R0.98 CC(C)COCC(=O)N(C)C 34a_100000210257_100000692301 [0,2,0,0,0,0|2,0,0]=4 8553 B10R0.98 CC(C)COCC(=O)N(C)C 527a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 8554 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [0,2,0,0,0,0|1,0,0]=3 8555 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [0,2,0,0,0,0|1,0,0]=3 8556 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000210624_100000692301 [0,2,0,0,0,0|2,0,0]=4 8557 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000692301_100000210760 [0,2,0,0,0,0|2,0,0]=4 8558 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100000738053_100000210206 [0,2,0,0,0,0|2,0,0]=4 8559 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100138425928_100000737620 [0,2,0,0,0,0|2,0,0]=4 8560 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,2,0,0,0,0|1,0,0]=3 8561 B10R0.98 CC(C)OCCC(=O)C(C)F 1458a_100000062450_100000211751 [0,2,0,0,0,0|1,0,0]=3 8562 B10R0.98 CC(C)OCCC(=O)C(O)O 1458a_100000233687_100000211751 [0,2,0,0,0,0|2,0,0]=4 8563 B10R0.98 CC(C)OCCC(=O)N(C)C 34a_200000747469_100000210206 [0,2,0,0,0,0|2,0,0]=4 8564 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,2,0,0,0,0|1,0,0]=3 8565 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,2,0,0,0,0|1,0,0]=3 8566 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [0,2,0,0,0,0|1,0,0]=3 8567 B10R0.98 CC(C)SCCC(=O)C(C)F 1458a_100000062450_100000730970 [0,2,0,0,0,0|1,0,0]=3 8568 B10R0.98 CC(C)SCCC(=O)C(O)O 1458a_100000233687_100000730970 [0,2,0,0,0,0|2,0,0]=4 8569 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000210206_100000737620 [0,2,0,0,0,0|2,0,0]=4 8570 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000737620_100000210206 [0,2,0,0,0,0|2,0,0]=4 8571 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,2,0,0,0,0|1,0,0]=3 8572 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,2,0,0,0,0|1,0,0]=3 8573 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000139345_100000210206 [0,2,0,0,0,0|2,0,0]=4 8574 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000210206_100000139345 [0,2,0,0,0,0|2,0,0]=4 8575 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,2,0,0,0,0|1,0,1]=4 8576 B10R0.98 CC(F)C(=O)CCCN(C)C 1458a_100000062450_100000695564 [0,2,0,0,0,0|1,0,0]=3 8577 B10R0.98 CC(F)C(=O)NCCN(C)C 240690a_100000210585_100000062450 [0,2,0,0,0,0|2,0,0]=4 8578 B10R0.98 CC(F)C(=O)NCCN(C)C 527a_100000210585_100000062450 [0,2,0,0,0,0|2,0,0]=4 8579 B10R0.98 CC(F)COCC(=O)C(C)C 34a_100015925927_100000753385 [0,2,0,0,0,0|1,0,0]=3 8580 B10R0.98 CC(F)COCC(=O)N(C)C 34a_100015925927_100000692301 [0,2,0,0,0,0|2,0,0]=4 8581 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|0,0,0]=2 8582 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|0,0,0]=2 8583 B10R0.98 CC(O)CCCC(=O)C(O)O 1458a_100000233687_200000718107 [0,2,0,0,0,0|1,0,0]=3 8584 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,2,0,0,0,0|1,0,0]=3 8585 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,2,0,0,0,0|1,0,0]=3 8586 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|0,0,0]=2 8587 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|0,0,0]=2 8588 B10R0.98 CC(O)CCCN(C)C(C)C 269982a_200000211004_200000718107 [0,2,0,0,0,0|2,0,0]=4 8589 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,2,0,0,0,0|1,0,0]=3 8590 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,2,0,0,0,0|1,0,0]=3 8591 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,2,0,0,0,0|1,0,0]=3 8592 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,2,0,0,0,0|1,0,0]=3 8593 B10R0.98 CC(O)CCNC(=O)C(F)F 240690a_200000755665_100000210393 [0,2,0,0,0,0|2,0,0]=4 8594 B10R0.98 CC(O)CCNC(=O)C(F)F 527a_200000755665_100000210393 [0,2,0,0,0,0|2,0,0]=4 8595 B10R0.98 CC(O)CCNC(=O)C(O)O 240690a_200000755665_100000233687 [0,2,0,0,0,0|2,0,0]=4 8596 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,2,0,0,0,0|1,0,0]=3 8597 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,2,0,0,0,0|1,0,0]=3 8598 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,2,0,0,0,0|1,0,0]=3 8599 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,2,0,0,0,0|1,0,0]=3 8600 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100000210904_100000185267 [0,2,0,0,0,0|2,0,0]=4 8601 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100015183351_100011218427 [0,2,0,0,0,0|2,0,0]=4 8602 B10R0.98 CC(O)CNCC(=O)N(C)C 34a_100000210904_100000692301 [0,2,0,0,0,0|2,0,0]=4 8603 B10R0.98 CC(O)CNNC(=O)C(C)C 22a_200000730056_100000210198 [0,2,0,0,0,0|2,0,0]=4 8604 B10R0.98 CC(O)CNNC(=O)C(C)F 22a_200000730056_100000062450 [0,2,0,0,0,0|2,0,0]=4 8605 B10R0.98 CC(O)CNNC(=O)[C@@H](C)O 22a_200000730056_100000717761 [0,2,0,0,0,0|2,0,0]=4 8606 B10R0.98 CC(O)CNNC(=O)[C@H](C)O 22a_200000730056_217856618621 [0,2,0,0,0,0|2,0,0]=4 8607 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,2,0,0,0,0|1,0,0]=3 8608 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,2,0,0,0,0|1,0,0]=3 8609 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100000692301_100011218427 [0,2,0,0,0,0|2,0,0]=4 8610 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100011218427_100000692301 [0,2,0,0,0,0|2,0,0]=4 8611 B10R0.98 CN(C)CCCC(=O)C(O)O 1458a_100000233687_100000695564 [0,2,0,0,0,0|2,0,0]=4 8612 B10R0.98 CN(C)CCCC(=O)N(C)C 11a_100102631434_100000740757 [0,2,0,0,0,0|2,0,0]=4 8613 B10R0.98 CN(C)CCCC(=O)N(C)C 2230a_100102631434_100000737642 [0,2,0,0,0,0|2,0,0]=4 8614 B10R0.98 CN(C)CCCC(=O)N(C)C 240690a_100102631434_100000740757 [0,2,0,0,0,0|2,0,0]=4 8615 B10R0.98 CN(C)CCCC(=O)N(C)C 269982a_100102631434_100000737642 [0,2,0,0,0,0|2,0,0]=4 8616 B10R0.98 C[C@@H](Cl)COCC(=O)N(C)C 34a_100016084084_100000692301 [0,2,0,0,0,0|2,0,0]=4 8617 B10R0.98 C[C@@H](N)COCC(=O)N(C)C 34a_100000737577_100000692301 [0,2,0,0,0,0|2,0,0]=4 8618 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,2,0,0,0,0|1,0,1]=4 8619 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,2,0,0,0,0|1,0,0]=3 8620 B10R0.98 C[C@@H](O)C(=O)NCCN(C)C 240690a_100000210585_100000717761 [0,2,0,0,0,0|2,0,0]=4 8621 B10R0.98 C[C@@H](O)CNCC(=O)N(C)C 2230a_100015183351_100009817552 [0,2,0,0,0,0|2,0,0]=4 8622 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100000692301_100009817552 [0,2,0,0,0,0|2,0,0]=4 8623 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100009817552_100000692301 [0,2,0,0,0,0|2,0,0]=4 8624 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,2,0,0,0,0|1,0,1]=4 8625 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,2,0,0,0,0|1,0,0]=3 8626 B10R0.98 C[C@H](O)C(=O)NCCN(C)C 240690a_100000210585_217856618621 [0,2,0,0,0,0|2,0,0]=4 8627 B10R0.1 C#CCC(=O)C/C=C/CCC 1458a_200016266809_100000184674 [0,2,0,0,0,0|0,0,2]=4 8628 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [0,2,0,0,0,0|0,0,2]=4 8629 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [0,2,0,0,0,0|0,0,2]=4 8630 B10R0.1 C#CCC(=O)CCCCC#N 1458a_100011220946_100000211819 [0,2,0,0,0,0|0,0,2]=4 8631 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011215552_100000184674 [0,2,0,0,0,0|0,0,2]=4 8632 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011220946_100011215482 [0,2,0,0,0,0|0,0,2]=4 8633 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|0,0,1]=3 8634 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|0,0,1]=3 8635 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,2,0,0,0,0|0,0,1]=3 8636 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,2,0,0,0,0|0,0,1]=3 8637 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,2,0,0,0,0|0,0,1]=3 8638 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,2,0,0,0,0|0,0,1]=3 8639 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,2,0,0,0,0|0,0,1]=3 8640 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,2,0,0,0,0|0,0,1]=3 8641 B10R0.1 C#CCC(=O)CCOCCO 1458a_100011220946_100011215305 [0,2,0,0,0,0|1,0,1]=4 8642 B10R0.1 C#CCC(=O)CCOCCO 1458a_100011229844_100000184674 [0,2,0,0,0,0|1,0,1]=4 8643 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,2,0,0,0,0|0,0,1]=3 8644 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,2,0,0,0,0|0,0,1]=3 8645 B10R0.1 C#CCC(=O)COCCOC 1458a_100000211095_100000184674 [0,2,0,0,0,0|1,0,1]=4 8646 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,2,0,0,0,0|0,0,1]=3 8647 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,2,0,0,0,0|0,0,1]=3 8648 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,2,0,0,0,0|0,0,1]=3 8649 B10R0.1 C#CCC(=O)NCCCCO 527a_100000750430_100011220946 [0,2,0,0,0,0|1,0,1]=4 8650 B10R0.1 C#CCC(=O)NCCCOC 1626a_100150723488_100011220946 [0,2,0,0,0,0|1,0,1]=4 8651 B10R0.1 C#CCC(=O)NCCCOC 527a_100150723488_100011220946 [0,2,0,0,0,0|1,0,1]=4 8652 B10R0.1 C#CCC(=O)NCCCSC 1626a_100000749238_100011220946 [0,2,0,0,0,0|1,0,1]=4 8653 B10R0.1 C#CCC(=O)NCCCSC 527a_100000749238_100011220946 [0,2,0,0,0,0|1,0,1]=4 8654 B10R0.1 C#CCC(=O)NCCOCC 1626a_102516460346_100011220946 [0,2,0,0,0,0|1,0,1]=4 8655 B10R0.1 C#CCC(=O)NCCOCC 527a_100011200944_100011220946 [0,2,0,0,0,0|1,0,1]=4 8656 B10R0.1 C#CCC(=O)NCCSCC 1626a_100000106463_100011220946 [0,2,0,0,0,0|1,0,1]=4 8657 B10R0.1 C#CCC(=O)NCCSCC 527a_100000106463_100011220946 [0,2,0,0,0,0|1,0,1]=4 8658 B10R0.1 C#CCCCCC(=O)C#CC 1458a_100000763181_100010269958 [0,2,0,0,0,0|0,0,2]=4 8659 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,2,0,0,0,0|0,0,2]=4 8660 B10R0.1 C#CCCCCC(=O)CC#C 1458a_100000696528_100000184674 [0,2,0,0,0,0|0,0,2]=4 8661 B10R0.1 C#CCCCCC(=O)CC#C 1458a_100011220946_100010269958 [0,2,0,0,0,0|0,0,2]=4 8662 B10R0.1 C#CCCCCC(=O)CC#N 1458a_100000696528_100011214920 [0,2,0,0,0,0|0,0,2]=4 8663 B10R0.1 C#CCCCCC(=O)CC#N 1458a_100051588842_100010269958 [0,2,0,0,0,0|0,0,2]=4 8664 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000210193_100010269958 [0,2,0,0,0,0|0,0,2]=4 8665 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000696528_100000210623 [0,2,0,0,0,0|0,0,2]=4 8666 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,2,0,0,0,0|0,0,1]=3 8667 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,2,0,0,0,0|0,0,1]=3 8668 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [0,2,0,0,0,0|0,0,1]=3 8669 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,2,0,0,0,0|0,0,1]=3 8670 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,2,0,0,0,0|0,0,1]=3 8671 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,2,0,0,0,0|0,0,1]=3 8672 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,2,0,0,0,0|0,0,1]=3 8673 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,2,0,0,0,0|0,0,1]=3 8674 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,2,0,0,0,0|0,0,1]=3 8675 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,2,0,0,0,0|0,0,1]=3 8676 B10R0.1 C#CCCCCC(=O)NNC 22a_100016993582_100000696528 [0,2,0,0,0,0|1,0,1]=4 8677 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,2,0,0,0,0|0,0,2]=4 8678 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,2,0,0,0,0|0,0,2]=4 8679 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,2,0,0,0,0|0,0,2]=4 8680 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,2,0,0,0,0|0,0,2]=4 8681 B10R0.1 C#CCCCNC(=O)CCO 240690a_100000718082_100011216618 [0,2,0,0,0,0|0,0,2]=4 8682 B10R0.1 C#CCCCNC(=O)COC 11a_100000718082_100000210968 [0,2,0,0,0,0|0,0,2]=4 8683 B10R0.1 C#CCCCNC(=O)COC 1626a_100000718082_100000210968 [0,2,0,0,0,0|0,0,2]=4 8684 B10R0.1 C#CCCCNC(=O)COC 240690a_100000718082_100000210968 [0,2,0,0,0,0|0,0,2]=4 8685 B10R0.1 C#CCCCNC(=O)COC 527a_100000718082_100000210968 [0,2,0,0,0,0|0,0,2]=4 8686 B10R0.1 C#CCCCNC(=O)CSC 11a_100000718082_100000184570 [0,2,0,0,0,0|0,0,2]=4 8687 B10R0.1 C#CCCCNC(=O)CSC 1626a_100000718082_100000184570 [0,2,0,0,0,0|0,0,2]=4 8688 B10R0.1 C#CCCCNC(=O)CSC 240690a_100000718082_100000184570 [0,2,0,0,0,0|0,0,2]=4 8689 B10R0.1 C#CCCCNC(=O)CSC 527a_100000718082_100000184570 [0,2,0,0,0,0|0,0,2]=4 8690 B10R0.1 C#CCCCNC(=O)NCC 2708a_100000718082_100015525214 [0,2,0,0,0,0|0,0,2]=4 8691 B10R0.1 C#CCCCNC(=O)NCC 2708a_100015525214_100000718082 [0,2,0,0,0,0|0,0,2]=4 8692 B10R0.1 C#CCCCNC(=O)NCC 273464a_100000718082_100015525214 [0,2,0,0,0,0|0,0,2]=4 8693 B10R0.1 C#CCCCNC(=O)NCC 273464a_100015525214_100000718082 [0,2,0,0,0,0|0,0,2]=4 8694 B10R0.1 C#CCCCNC(=O)NCC 512a_100000718082_100015525214 [0,2,0,0,0,0|0,0,2]=4 8695 B10R0.1 C#CCCCNC(=O)NCC 512a_100015525214_100000718082 [0,2,0,0,0,0|0,0,2]=4 8696 B10R0.1 C#CCCNCC(=O)NCC 2230a_100016988866_100000688953 [0,2,0,0,0,0|0,0,2]=4 8697 B10R0.1 C#CCCNCC(=O)NCC 34a_100000755551_100000183381 [0,2,0,0,0,0|0,0,2]=4 8698 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,2,0,0,0,0|0,0,2]=4 8699 B10R0.1 C#CCCOCC(=O)NCC 34a_100011215631_100000183381 [0,2,0,0,0,0|0,0,2]=4 8700 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,2,0,0,0,0|0,0,2]=4 8701 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [0,2,0,0,0,0|0,0,2]=4 8702 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [0,2,0,0,0,0|0,0,2]=4 8703 B10R0.1 C#CCCSCC(=O)NCC 62a_100000183381_100000688953 [0,2,0,0,0,0|0,0,2]=4 8704 B10R0.1 C#CCCSCC(=O)NCC 62a_100000688953_100000183381 [0,2,0,0,0,0|0,0,2]=4 8705 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,2,0,0,0,0|0,0,2]=4 8706 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,2,0,0,0,0|0,0,2]=4 8707 B10R0.1 C#CCNCCC(=O)NCC 34a_100025743525_100000184674 [0,2,0,0,0,0|0,0,2]=4 8708 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,2,0,0,0,0|0,0,2]=4 8709 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [0,2,0,0,0,0|0,0,2]=4 8710 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [0,2,0,0,0,0|0,0,2]=4 8711 B10R0.1 C#CCOCCC(=O)CCF 1458a_100000693358_100011217306 [0,2,0,0,0,0|0,0,2]=4 8712 B10R0.1 C#CCOCCC(=O)CCO 1458a_100000693358_100000211926 [0,2,0,0,0,0|0,0,2]=4 8713 B10R0.1 C#CCOCCC(=O)CCO 1458a_100011216618_100010402529 [0,2,0,0,0,0|0,0,2]=4 8714 B10R0.1 C#CCOCCC(=O)COC 1458a_100000210968_100010402529 [0,2,0,0,0,0|0,0,2]=4 8715 B10R0.1 C#CCOCCC(=O)CSC 1458a_100000184570_100010402529 [0,2,0,0,0,0|0,0,2]=4 8716 B10R0.1 C#CCOCCC(=O)NCC 11a_100015525214_100000693358 [0,2,0,0,0,0|0,0,2]=4 8717 B10R0.1 C#CCOCCC(=O)NCC 240690a_100015525214_100000693358 [0,2,0,0,0,0|0,0,2]=4 8718 B10R0.1 C#CCOCCC(=O)NCC 527a_100015525214_100000693358 [0,2,0,0,0,0|0,0,2]=4 8719 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,2,0,0,0,0|0,0,2]=4 8720 B10R0.1 C#CCSCCC(=O)NCC 62a_100000038162_100000737597 [0,2,0,0,0,0|0,0,2]=4 8721 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,2,0,0,0,0|0,0,2]=4 8722 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,2,0,0,0,0|0,0,2]=4 8723 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,2,0,0,0,0|0,0,2]=4 8724 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,2,0,0,0,0|0,0,2]=4 8725 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,2,0,0,0,0|0,0,2]=4 8726 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [0,2,0,0,0,0|0,0,2]=4 8727 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [0,2,0,0,0,0|0,0,2]=4 8728 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,2,0,0,0,0|0,0,2]=4 8729 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,2,0,0,0,0|0,0,2]=4 8730 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [0,2,0,0,0,0|0,0,2]=4 8731 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,2,0,0,0,0|0,0,2]=4 8732 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [0,2,0,0,0,0|0,0,2]=4 8733 B10R0.1 C=CCC(=O)CCCCC#N 1458a_100000210193_100000211819 [0,2,0,0,0,0|0,0,2]=4 8734 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|0,0,1]=3 8735 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|0,0,1]=3 8736 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|0,0,1]=3 8737 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|0,0,1]=3 8738 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|0,0,1]=3 8739 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|0,0,1]=3 8740 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,2,0,0,0,0|0,0,1]=3 8741 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|0,0,1]=3 8742 B10R0.1 C=CCC(=O)CCOCCO 1458a_100000210193_100011215305 [0,2,0,0,0,0|1,0,1]=4 8743 B10R0.1 C=CCC(=O)CCOCCO 1458a_100011229844_100000210623 [0,2,0,0,0,0|1,0,1]=4 8744 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|0,0,1]=3 8745 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|0,0,1]=3 8746 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [0,2,0,0,0,0|1,0,1]=4 8747 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|0,0,1]=3 8748 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|0,0,1]=3 8749 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|0,0,1]=3 8750 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|0,0,1]=3 8751 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|0,0,1]=3 8752 B10R0.1 C=CCC(=O)NCCCCO 240690a_100000750430_100000210193 [0,2,0,0,0,0|1,0,1]=4 8753 B10R0.1 C=CCC(=O)NCCCCO 527a_100000750430_100000210193 [0,2,0,0,0,0|1,0,1]=4 8754 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [0,2,0,0,0,0|1,0,1]=4 8755 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [0,2,0,0,0,0|1,0,1]=4 8756 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [0,2,0,0,0,0|1,0,1]=4 8757 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [0,2,0,0,0,0|1,0,1]=4 8758 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [0,2,0,0,0,0|1,0,1]=4 8759 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [0,2,0,0,0,0|1,0,1]=4 8760 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [0,2,0,0,0,0|1,0,1]=4 8761 B10R0.1 C=CCC(=O)NCCOCC 11a_100011200944_100000210193 [0,2,0,0,0,0|1,0,1]=4 8762 B10R0.1 C=CCC(=O)NCCOCC 1626a_102516460346_100000210193 [0,2,0,0,0,0|1,0,1]=4 8763 B10R0.1 C=CCC(=O)NCCOCC 240690a_100011200944_100000210193 [0,2,0,0,0,0|1,0,1]=4 8764 B10R0.1 C=CCC(=O)NCCOCC 527a_100011200944_100000210193 [0,2,0,0,0,0|1,0,1]=4 8765 B10R0.1 C=CCC(=O)NCCSCC 11a_100000106463_100000210193 [0,2,0,0,0,0|1,0,1]=4 8766 B10R0.1 C=CCC(=O)NCCSCC 1626a_100000106463_100000210193 [0,2,0,0,0,0|1,0,1]=4 8767 B10R0.1 C=CCC(=O)NCCSCC 240690a_100000106463_100000210193 [0,2,0,0,0,0|1,0,1]=4 8768 B10R0.1 C=CCC(=O)NCCSCC 527a_100000106463_100000210193 [0,2,0,0,0,0|1,0,1]=4 8769 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [0,2,0,0,0,0|1,0,1]=4 8770 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,2,0,0,0,0|0,0,2]=4 8771 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,2,0,0,0,0|0,0,2]=4 8772 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100011215552_100011214920 [0,2,0,0,0,0|0,0,2]=4 8773 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100051588842_100011215482 [0,2,0,0,0,0|0,0,2]=4 8774 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [0,2,0,0,0,0|0,0,2]=4 8775 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [0,2,0,0,0,0|0,0,2]=4 8776 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|0,0,1]=3 8777 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|0,0,1]=3 8778 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,2,0,0,0,0|0,0,1]=3 8779 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|0,0,1]=3 8780 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|0,0,1]=3 8781 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|0,0,1]=3 8782 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,2,0,0,0,0|0,0,1]=3 8783 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|0,0,1]=3 8784 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|0,0,1]=3 8785 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|0,0,1]=3 8786 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,2,0,0,0,0|1,0,1]=4 8787 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,2,0,0,0,0|0,0,2]=4 8788 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,2,0,0,0,0|0,0,2]=4 8789 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,2,0,0,0,0|0,0,2]=4 8790 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,2,0,0,0,0|0,0,2]=4 8791 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [0,2,0,0,0,0|0,0,2]=4 8792 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,2,0,0,0,0|0,0,2]=4 8793 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,2,0,0,0,0|0,0,2]=4 8794 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,2,0,0,0,0|0,0,2]=4 8795 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,2,0,0,0,0|0,0,2]=4 8796 B10R0.1 C=CCCCNC(=O)CSC 11a_100000700776_100000184570 [0,2,0,0,0,0|0,0,2]=4 8797 B10R0.1 C=CCCCNC(=O)CSC 1626a_100000700776_100000184570 [0,2,0,0,0,0|0,0,2]=4 8798 B10R0.1 C=CCCCNC(=O)CSC 240690a_100000700776_100000184570 [0,2,0,0,0,0|0,0,2]=4 8799 B10R0.1 C=CCCCNC(=O)CSC 527a_100000700776_100000184570 [0,2,0,0,0,0|0,0,2]=4 8800 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,2,0,0,0,0|0,0,2]=4 8801 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,2,0,0,0,0|0,0,2]=4 8802 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,2,0,0,0,0|0,0,2]=4 8803 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,2,0,0,0,0|0,0,2]=4 8804 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,2,0,0,0,0|0,0,2]=4 8805 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,2,0,0,0,0|0,0,2]=4 8806 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,2,0,0,0,0|0,0,2]=4 8807 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [0,2,0,0,0,0|0,0,2]=4 8808 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [0,2,0,0,0,0|0,0,2]=4 8809 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,2,0,0,0,0|0,0,2]=4 8810 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,2,0,0,0,0|0,0,2]=4 8811 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,2,0,0,0,0|0,0,2]=4 8812 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,2,0,0,0,0|0,0,2]=4 8813 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,2,0,0,0,0|0,0,2]=4 8814 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [0,2,0,0,0,0|0,0,2]=4 8815 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [0,2,0,0,0,0|0,0,2]=4 8816 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,2,0,0,0,0|0,0,2]=4 8817 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,2,0,0,0,0|0,0,2]=4 8818 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,2,0,0,0,0|0,0,2]=4 8819 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,2,0,0,0,0|0,0,2]=4 8820 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,2,0,0,0,0|0,0,2]=4 8821 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,2,0,0,0,0|0,0,2]=4 8822 B10R0.1 C=CCOCCC(=O)CCF 1458a_200011217002_100011217306 [0,2,0,0,0,0|0,0,2]=4 8823 B10R0.1 C=CCOCCC(=O)CCO 1458a_200011217002_100000211926 [0,2,0,0,0,0|0,0,2]=4 8824 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,2,0,0,0,0|0,0,2]=4 8825 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,2,0,0,0,0|0,0,2]=4 8826 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,2,0,0,0,0|0,0,2]=4 8827 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,2,0,0,0,0|0,0,2]=4 8828 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,2,0,0,0,0|0,0,2]=4 8829 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,2,0,0,0,0|0,0,2]=4 8830 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,2,0,0,0,0|0,0,2]=4 8831 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,2,0,0,0,0|0,0,2]=4 8832 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|0,0,2]=4 8833 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|0,0,2]=4 8834 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|0,0,2]=4 8835 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|0,0,2]=4 8836 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,2,0,0,0,0|0,0,2]=4 8837 B10R0.1 CC#CC(=O)CCCCC#N 1458a_100000763181_100000211819 [0,2,0,0,0,0|0,0,2]=4 8838 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|0,0,1]=3 8839 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,2,0,0,0,0|0,0,1]=3 8840 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|0,0,1]=3 8841 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,2,0,0,0,0|0,0,1]=3 8842 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,2,0,0,0,0|0,0,1]=3 8843 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,2,0,0,0,0|0,0,1]=3 8844 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [0,2,0,0,0,0|1,0,1]=4 8845 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|0,0,1]=3 8846 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,2,0,0,0,0|1,0,1]=4 8847 B10R0.1 CC#CCNCC(=O)CCC 2230a_100000685387_100000747444 [0,2,0,0,0,0|0,0,2]=4 8848 B10R0.1 CC#CCNCC(=O)NCC 2230a_100000685387_100000183381 [0,2,0,0,0,0|0,0,2]=4 8849 B10R0.1 CC#CCNCC(=O)NCC 2230a_100016988866_100000748600 [0,2,0,0,0,0|0,0,2]=4 8850 B10R0.1 CC#CCNCC(=O)NCC 34a_100000685387_100000183381 [0,2,0,0,0,0|0,0,2]=4 8851 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,2,0,0,0,0|0,0,2]=4 8852 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,2,0,0,0,0|0,0,2]=4 8853 B10R0.1 CC#CCOCC(=O)NCC 34a_100000761923_100000183381 [0,2,0,0,0,0|0,0,2]=4 8854 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,2,0,0,0,0|0,0,2]=4 8855 B10R0.1 CC#CCSCC(=O)CCC 62a_100000747444_100000748600 [0,2,0,0,0,0|0,0,2]=4 8856 B10R0.1 CC#CCSCC(=O)CCC 62a_100000748600_100000747444 [0,2,0,0,0,0|0,0,2]=4 8857 B10R0.1 CC#CCSCC(=O)NCC 62a_100000183381_100000748600 [0,2,0,0,0,0|0,0,2]=4 8858 B10R0.1 CC#CCSCC(=O)NCC 62a_100000748600_100000183381 [0,2,0,0,0,0|0,0,2]=4 8859 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,2,0,0,0,0|0,0,2]=4 8860 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,2,0,0,0,0|0,0,2]=4 8861 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [0,2,0,0,0,0|0,0,2]=4 8862 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|0,0,1]=3 8863 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,2,0,0,0,0|0,0,1]=3 8864 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|0,0,1]=3 8865 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,2,0,0,0,0|0,0,1]=3 8866 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,2,0,0,0,0|0,0,2]=4 8867 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,2,0,0,0,0|0,0,2]=4 8868 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|0,0,1]=3 8869 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|0,0,1]=3 8870 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|0,0,1]=3 8871 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|0,0,1]=3 8872 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|0,0,1]=3 8873 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|0,0,1]=3 8874 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,2,0,0,0,0|1,0,1]=4 8875 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|0,0,1]=3 8876 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|0,0,1]=3 8877 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|0,0,1]=3 8878 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|0,0,1]=3 8879 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,2,0,0,0,0|1,0,1]=4 8880 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,2,0,0,0,0|1,0,1]=4 8881 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,2,0,0,0,0|1,0,1]=4 8882 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,2,0,0,0,0|1,0,1]=4 8883 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,2,0,0,0,0|1,0,1]=4 8884 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,2,0,0,0,0|1,0,1]=4 8885 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,2,0,0,0,0|1,0,1]=4 8886 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,2,0,0,0,0|1,0,1]=4 8887 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,2,0,0,0,0|1,0,1]=4 8888 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,2,0,0,0,0|1,0,1]=4 8889 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,2,0,0,0,0|1,0,1]=4 8890 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,2,0,0,0,0|1,0,1]=4 8891 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,2,0,0,0,0|1,0,1]=4 8892 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [0,2,0,0,0,0|0,0,2]=4 8893 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,2,0,0,0,0|0,0,2]=4 8894 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,2,0,0,0,0|0,0,2]=4 8895 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [0,2,0,0,0,0|0,0,2]=4 8896 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [0,2,0,0,0,0|0,0,2]=4 8897 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,2,0,0,0,0|0,0,2]=4 8898 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,2,0,0,0,0|0,0,2]=4 8899 B10R0.1 CCC/C=C/CC(=O)CC#N 1458a_200016266809_100011214920 [0,2,0,0,0,0|0,0,2]=4 8900 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|0,0,1]=3 8901 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,2,0,0,0,0|0,0,1]=3 8902 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|0,0,1]=3 8903 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|0,0,1]=3 8904 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|0,0,1]=3 8905 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|0,0,1]=3 8906 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,2,0,0,0,0|1,0,1]=4 8907 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,2,0,0,0,0|0,0,1]=3 8908 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|0,0,0]=2 8909 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|0,0,0]=2 8910 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|0,0,0]=2 8911 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|0,0,0]=2 8912 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [0,2,0,0,0,0|2,0,0]=4 8913 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|0,0,0]=2 8914 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [0,2,0,0,0,0|1,0,1]=4 8915 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,2,0,0,0,0|1,0,0]=3 8916 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,2,0,0,0,0|1,0,0]=3 8917 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,2,0,0,0,0|1,0,0]=3 8918 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|1,0,0]=3 8919 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,2,0,0,0,0|1,0,0]=3 8920 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|1,0,0]=3 8921 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|1,0,0]=3 8922 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [0,2,0,0,0,0|1,0,1]=4 8923 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [0,2,0,0,0,0|1,0,1]=4 8924 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,2,0,0,0,0|1,0,0]=3 8925 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,2,0,0,0,0|1,0,0]=3 8926 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,2,0,0,0,0|1,0,0]=3 8927 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,2,0,0,0,0|1,0,0]=3 8928 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|1,0,0]=3 8929 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|1,0,0]=3 8930 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,2,0,0,0,0|1,0,0]=3 8931 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,2,0,0,0,0|1,0,0]=3 8932 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,2,0,0,0,0|1,0,0]=3 8933 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,2,0,0,0,0|1,0,0]=3 8934 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,2,0,0,0,0|1,0,0]=3 8935 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,2,0,0,0,0|1,0,0]=3 8936 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|1,0,0]=3 8937 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|1,0,0]=3 8938 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|1,0,0]=3 8939 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 8940 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 8941 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 8942 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 8943 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,2,0,0,0,0|1,0,0]=3 8944 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,2,0,0,0,0|1,0,0]=3 8945 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,2,0,0,0,0|1,0,0]=3 8946 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,2,0,0,0,0|1,0,0]=3 8947 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 8948 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 8949 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 8950 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 8951 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,2,0,0,0,0|2,0,0]=4 8952 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,2,0,0,0,0|2,0,0]=4 8953 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,2,0,0,0,0|2,0,0]=4 8954 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,2,0,0,0,0|2,0,0]=4 8955 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,2,0,0,0,0|2,0,0]=4 8956 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,2,0,0,0,0|2,0,0]=4 8957 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,2,0,0,0,0|2,0,0]=4 8958 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,2,0,0,0,0|2,0,0]=4 8959 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,2,0,0,0,0|2,0,0]=4 8960 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,2,0,0,0,0|2,0,0]=4 8961 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,2,0,0,0,0|1,0,1]=4 8962 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,2,0,0,0,0|1,0,1]=4 8963 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,2,0,0,0,0|1,0,1]=4 8964 B10R0.1 CCCC=NNC(=O)COC 4a_100000216845_100000185831 [0,2,0,0,0,0|1,0,1]=4 8965 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [0,2,0,0,0,0|0,0,2]=4 8966 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|0,0,1]=3 8967 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,2,0,0,0,0|0,0,1]=3 8968 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|0,0,1]=3 8969 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|0,0,1]=3 8970 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|0,0,1]=3 8971 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,2,0,0,0,0|1,0,1]=4 8972 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|0,0,2]=4 8973 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|0,0,2]=4 8974 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|0,0,2]=4 8975 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|0,0,1]=3 8976 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|0,0,1]=3 8977 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|0,0,0]=2 8978 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|0,0,0]=2 8979 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|0,0,0]=2 8980 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,0]=2 8981 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,0]=2 8982 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,0]=2 8983 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,0,0]=2 8984 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|0,0,0]=2 8985 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|0,0,0]=2 8986 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|0,0,0]=2 8987 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|1,0,0]=3 8988 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,2,0,0,0,0|1,0,1]=4 8989 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,2,0,0,0,0|1,0,1]=4 8990 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,2,0,0,0,0|1,0,1]=4 8991 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,2,0,0,0,0|1,0,1]=4 8992 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 8993 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|1,0,1]=4 8994 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 8995 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,2,0,0,0,0|1,0,1]=4 8996 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,2,0,0,0,0|1,0,1]=4 8997 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,2,0,0,0,0|2,0,0]=4 8998 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,2,0,0,0,0|2,0,0]=4 8999 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,2,0,0,0,0|2,0,0]=4 9000 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,2,0,0,0,0|2,0,0]=4 9001 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,2,0,0,0,0|2,0,0]=4 9002 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,2,0,0,0,0|2,0,0]=4 9003 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,2,0,0,0,0|2,0,0]=4 9004 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,2,0,0,0,0|2,0,0]=4 9005 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,2,0,0,0,0|2,0,0]=4 9006 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,2,0,0,0,0|2,0,0]=4 9007 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 9008 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 9009 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,2,0,0,0,0|2,0,0]=4 9010 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,2,0,0,0,0|2,0,0]=4 9011 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,2,0,0,0,0|0,0,2]=4 9012 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,2,0,0,0,0|0,0,2]=4 9013 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,2,0,0,0,0|0,0,2]=4 9014 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,2,0,0,0,0|0,0,2]=4 9015 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,2,0,0,0,0|0,0,2]=4 9016 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,2,0,0,0,0|0,0,2]=4 9017 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,2,0,0,0,0|0,0,1]=3 9018 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,2,0,0,0,0|0,0,1]=3 9019 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|0,0,0]=2 9020 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|0,0,0]=2 9021 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|0,0,0]=2 9022 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|0,0,0]=2 9023 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|0,0,0]=2 9024 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|0,0,0]=2 9025 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|0,0,0]=2 9026 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|0,0,0]=2 9027 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|0,0,0]=2 9028 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|0,0,0]=2 9029 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|0,0,0]=2 9030 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|0,0,0]=2 9031 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|0,0,0]=2 9032 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|0,0,0]=2 9033 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|0,0,0]=2 9034 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|0,0,0]=2 9035 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|0,0,0]=2 9036 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|0,0,0]=2 9037 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|0,0,0]=2 9038 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|0,0,0]=2 9039 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|0,0,0]=2 9040 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|0,0,0]=2 9041 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|0,0,0]=2 9042 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|0,0,0]=2 9043 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|0,0,0]=2 9044 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|0,0,0]=2 9045 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|0,0,0]=2 9046 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|1,0,0]=3 9047 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|1,0,0]=3 9048 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|1,0,0]=3 9049 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,2,0,0,0,0|1,0,1]=4 9050 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,2,0,0,0,0|1,0,1]=4 9051 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,2,0,0,0,0|1,0,1]=4 9052 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,2,0,0,0,0|1,0,1]=4 9053 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,2,0,0,0,0|1,0,1]=4 9054 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,2,0,0,0,0|1,0,1]=4 9055 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,2,0,0,0,0|1,0,1]=4 9056 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,2,0,0,0,0|1,0,1]=4 9057 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,2,0,0,0,0|1,0,1]=4 9058 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,2,0,0,0,0|1,0,1]=4 9059 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,2,0,0,0,0|1,0,1]=4 9060 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,2,0,0,0,0|1,0,1]=4 9061 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,2,0,0,0,0|1,0,1]=4 9062 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,2,0,0,0,0|1,0,1]=4 9063 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,2,0,0,0,0|1,0,1]=4 9064 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,2,0,0,0,0|1,0,1]=4 9065 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,2,0,0,0,0|1,0,1]=4 9066 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,2,0,0,0,0|1,0,1]=4 9067 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,2,0,0,0,0|1,0,1]=4 9068 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,2,0,0,0,0|1,0,1]=4 9069 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,2,0,0,0,0|1,0,1]=4 9070 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,2,0,0,0,0|1,0,1]=4 9071 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,2,0,0,0,0|1,0,1]=4 9072 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,2,0,0,0,0|1,0,1]=4 9073 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,2,0,0,0,0|1,0,1]=4 9074 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,2,0,0,0,0|1,0,1]=4 9075 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|0,0,0]=2 9076 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|0,0,0]=2 9077 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|0,0,0]=2 9078 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|0,0,0]=2 9079 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|0,0,0]=2 9080 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|1,0,0]=3 9081 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|1,0,0]=3 9082 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|0,0,0]=2 9083 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|0,0,0]=2 9084 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,2,0,0,0,0|1,0,1]=4 9085 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,2,0,0,0,0|1,0,1]=4 9086 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,2,0,0,0,0|1,0,1]=4 9087 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,2,0,0,0,0|0,0,2]=4 9088 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|0,0,2]=4 9089 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,2,0,0,0,0|0,0,2]=4 9090 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,2,0,0,0,0|2,0,0]=4 9091 B10R0.1 CCCCNN=C(C)COC 4a_100025702795_100000749346 [0,2,0,0,0,0|2,0,0]=4 9092 B10R0.1 CCCCNN=C(C)CSC 4a_100025702795_100011216314 [0,2,0,0,0,0|2,0,0]=4 9093 B10R0.1 CCCCNNC(=O)CC#N 22a_100025702795_100051588842 [0,2,0,0,0,0|1,0,1]=4 9094 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,2,0,0,0,0|1,0,0]=3 9095 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,2,0,0,0,0|1,0,0]=3 9096 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|1,0,0]=3 9097 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,2,0,0,0,0|1,0,0]=3 9098 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,2,0,0,0,0|1,0,0]=3 9099 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,2,0,0,0,0|1,0,0]=3 9100 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,2,0,0,0,0|1,0,0]=3 9101 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,2,0,0,0,0|2,0,0]=4 9102 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,2,0,0,0,0|2,0,0]=4 9103 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,2,0,0,0,0|0,0,2]=4 9104 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,2,0,0,0,0|0,0,2]=4 9105 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,2,0,0,0,0|0,0,2]=4 9106 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,2,0,0,0,0|0,0,1]=3 9107 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,2,0,0,0,0|0,0,1]=3 9108 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|0,0,0]=2 9109 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|0,0,0]=2 9110 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|0,0,0]=2 9111 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|0,0,0]=2 9112 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|0,0,0]=2 9113 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|0,0,0]=2 9114 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|0,0,0]=2 9115 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|0,0,0]=2 9116 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|0,0,0]=2 9117 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|0,0,0]=2 9118 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|0,0,0]=2 9119 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|0,0,0]=2 9120 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|0,0,0]=2 9121 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 9122 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 9123 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|1,0,0]=3 9124 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|0,0,0]=2 9125 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|0,0,0]=2 9126 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,2,0,0,0,0|1,0,1]=4 9127 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,2,0,0,0,0|1,0,1]=4 9128 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,2,0,0,0,0|1,0,1]=4 9129 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,2,0,0,0,0|1,0,1]=4 9130 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,2,0,0,0,0|1,0,1]=4 9131 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,2,0,0,0,0|1,0,1]=4 9132 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,2,0,0,0,0|1,0,1]=4 9133 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|1,0,1]=4 9134 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,2,0,0,0,0|0,0,2]=4 9135 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,2,0,0,0,0|0,0,2]=4 9136 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 9137 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 9138 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,2,0,0,0,0|2,0,0]=4 9139 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,2,0,0,0,0|2,0,0]=4 9140 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|1,0,1]=4 9141 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,2,0,0,0,0|0,0,1]=3 9142 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|0,0,0]=2 9143 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|0,0,0]=2 9144 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|0,0,0]=2 9145 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|0,0,0]=2 9146 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|0,0,0]=2 9147 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|0,0,0]=2 9148 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|0,0,0]=2 9149 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|0,0,0]=2 9150 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|0,0,0]=2 9151 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|0,0,0]=2 9152 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|1,0,0]=3 9153 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|1,0,0]=3 9154 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,2,0,0,0,0|1,0,0]=3 9155 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|0,0,0]=2 9156 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|0,0,0]=2 9157 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,2,0,0,0,0|1,0,1]=4 9158 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,2,0,0,0,0|1,0,1]=4 9159 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,2,0,0,0,0|0,0,2]=4 9160 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,2,0,0,0,0|0,0,2]=4 9161 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,2,0,0,0,0|2,0,0]=4 9162 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,2,0,0,0,0|2,0,0]=4 9163 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,2,0,0,0,0|2,0,0]=4 9164 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,2,0,0,0,0|2,0,0]=4 9165 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,2,0,0,0,0|2,0,0]=4 9166 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,2,0,0,0,0|2,0,0]=4 9167 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,2,0,0,0,0|2,0,0]=4 9168 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,2,0,0,0,0|2,0,0]=4 9169 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,2,0,0,0,0|2,0,0]=4 9170 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,2,0,0,0,0|2,0,0]=4 9171 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|0,0,0]=2 9172 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,2,0,0,0,0|1,0,1]=4 9173 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,2,0,0,0,0|0,0,2]=4 9174 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,2,0,0,0,0|0,0,2]=4 9175 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,2,0,0,0,0|0,0,2]=4 9176 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,2,0,0,0,0|0,0,1]=3 9177 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|0,0,0]=2 9178 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|0,0,0]=2 9179 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|0,0,0]=2 9180 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|0,0,0]=2 9181 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|0,0,0]=2 9182 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,2,0,0,0,0|1,0,1]=4 9183 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,2,0,0,0,0|1,0,1]=4 9184 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,2,0,0,0,0|2,0,0]=4 9185 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,2,0,0,0,0|2,0,0]=4 9186 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,2,0,0,0,0|2,0,0]=4 9187 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,2,0,0,0,0|2,0,0]=4 9188 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,2,0,0,0,0|1,0,1]=4 9189 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,2,0,0,0,0|1,0,0]=3 9190 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|0,0,0]=2 9191 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|0,0,0]=2 9192 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|0,0,0]=2 9193 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|0,0,0]=2 9194 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,2,0,0,0,0|1,0,0]=3 9195 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|1,0,0]=3 9196 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|0,0,0]=2 9197 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 11a_100015525214_100010262590 [0,2,0,0,0,0|2,0,0]=4 9198 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 240690a_100015525214_100010262590 [0,2,0,0,0,0|2,0,0]=4 9199 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 527a_100015525214_100010262590 [0,2,0,0,0,0|2,0,0]=4 9200 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,2,0,0,0,0|1,0,1]=4 9201 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,2,0,0,0,0|1,0,0]=3 9202 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,2,0,0,0,0|1,0,0]=3 9203 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,2,0,0,0,0|1,0,0]=3 9204 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,2,0,0,0,0|1,0,0]=3 9205 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,2,0,0,0,0|1,0,0]=3 9206 B10R0.1 CCNC(=O)CCSCC#N 62a_100000737597_100011215382 [0,2,0,0,0,0|1,0,1]=4 9207 B10R0.1 CCNC(=O)CCSCC#N 62a_100011215382_100000737597 [0,2,0,0,0,0|1,0,1]=4 9208 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,2,0,0,0,0|1,0,1]=4 9209 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,2,0,0,0,0|1,0,1]=4 9210 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,2,0,0,0,0|1,0,0]=3 9211 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,2,0,0,0,0|1,0,0]=3 9212 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,2,0,0,0,0|1,0,0]=3 9213 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,2,0,0,0,0|1,0,0]=3 9214 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,2,0,0,0,0|1,0,0]=3 9215 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,2,0,0,0,0|1,0,0]=3 9216 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,2,0,0,0,0|1,0,0]=3 9217 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,2,0,0,0,0|1,0,0]=3 9218 B10R0.1 CCNC(=O)CNCCC#N 2230a_100016988866_100011215226 [0,2,0,0,0,0|1,0,1]=4 9219 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,2,0,0,0,0|1,0,0]=3 9220 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,2,0,0,0,0|1,0,0]=3 9221 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,2,0,0,0,0|1,0,0]=3 9222 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,2,0,0,0,0|1,0,0]=3 9223 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,2,0,0,0,0|1,0,0]=3 9224 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,2,0,0,0,0|1,0,0]=3 9225 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,2,0,0,0,0|1,0,0]=3 9226 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,2,0,0,0,0|1,0,0]=3 9227 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,2,0,0,0,0|1,0,0]=3 9228 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,2,0,0,0,0|1,0,0]=3 9229 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,2,0,0,0,0|1,0,0]=3 9230 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,2,0,0,0,0|1,0,0]=3 9231 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,2,0,0,0,0|1,0,0]=3 9232 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,2,0,0,0,0|1,0,0]=3 9233 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,2,0,0,0,0|1,0,0]=3 9234 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,2,0,0,0,0|1,0,0]=3 9235 B10R0.1 CCNC(=O)COCCON 34a_100000700252_100000183381 [0,2,0,0,0,0|2,0,0]=4 9236 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,2,0,0,0,0|1,0,0]=3 9237 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,2,0,0,0,0|1,0,0]=3 9238 B10R0.1 CCNC(=O)CSCCC#N 62a_100000183381_100011215226 [0,2,0,0,0,0|1,0,1]=4 9239 B10R0.1 CCNC(=O)CSCCC#N 62a_100011215226_100000183381 [0,2,0,0,0,0|1,0,1]=4 9240 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,2,0,0,0,0|1,0,0]=3 9241 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,2,0,0,0,0|1,0,0]=3 9242 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,2,0,0,0,0|1,0,0]=3 9243 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,2,0,0,0,0|1,0,0]=3 9244 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,2,0,0,0,0|1,0,0]=3 9245 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,2,0,0,0,0|1,0,0]=3 9246 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,2,0,0,0,0|1,0,0]=3 9247 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,2,0,0,0,0|1,0,0]=3 9248 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,2,0,0,0,0|1,0,0]=3 9249 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,2,0,0,0,0|1,0,0]=3 9250 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,2,0,0,0,0|1,0,0]=3 9251 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,2,0,0,0,0|1,0,0]=3 9252 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,2,0,0,0,0|1,0,0]=3 9253 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,2,0,0,0,0|1,0,0]=3 9254 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,2,0,0,0,0|1,0,0]=3 9255 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,2,0,0,0,0|1,0,0]=3 9256 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,2,0,0,0,0|1,0,0]=3 9257 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,2,0,0,0,0|1,0,0]=3 9258 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,2,0,0,0,0|1,0,0]=3 9259 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,2,0,0,0,0|1,0,0]=3 9260 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,2,0,0,0,0|1,0,0]=3 9261 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 9262 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 9263 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 9264 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 9265 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 9266 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 9267 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,2,0,0,0,0|1,0,0]=3 9268 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,2,0,0,0,0|1,0,0]=3 9269 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,2,0,0,0,0|1,0,0]=3 9270 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,2,0,0,0,0|1,0,0]=3 9271 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,2,0,0,0,0|1,0,0]=3 9272 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,2,0,0,0,0|1,0,0]=3 9273 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,2,0,0,0,0|1,0,0]=3 9274 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,2,0,0,0,0|1,0,0]=3 9275 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,2,0,0,0,0|1,0,0]=3 9276 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,2,0,0,0,0|1,0,0]=3 9277 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,2,0,0,0,0|1,0,0]=3 9278 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,2,0,0,0,0|1,0,0]=3 9279 B10R0.1 CCNC(=O)NNCCOC 273464a_100015525214_100000741390 [0,2,0,0,0,0|2,0,0]=4 9280 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,2,0,0,0,0|0,0,2]=4 9281 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|0,0,0]=2 9282 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,2,0,0,0,0|0,0,2]=4 9283 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,2,0,0,0,0|0,0,2]=4 9284 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|0,0,0]=2 9285 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|0,0,0]=2 9286 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|0,0,0]=2 9287 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|0,0,0]=2 9288 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,0]=2 9289 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,0]=2 9290 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,0]=2 9291 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,0]=2 9292 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|1,0,0]=3 9293 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,0]=2 9294 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,0]=2 9295 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|1,0,0]=3 9296 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|1,0,0]=3 9297 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|1,0,0]=3 9298 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|1,0,0]=3 9299 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|1,0,0]=3 9300 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|1,0,0]=3 9301 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|1,0,0]=3 9302 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,2,0,0,0,0|1,0,1]=4 9303 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,2,0,0,0,0|1,0,1]=4 9304 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,2,0,0,0,0|1,0,1]=4 9305 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,2,0,0,0,0|1,0,1]=4 9306 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|1,0,0]=3 9307 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|1,0,0]=3 9308 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|1,0,0]=3 9309 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|1,0,0]=3 9310 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|1,0,0]=3 9311 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|1,0,0]=3 9312 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|1,0,0]=3 9313 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|1,0,0]=3 9314 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|1,0,0]=3 9315 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|1,0,0]=3 9316 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|1,0,0]=3 9317 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|1,0,0]=3 9318 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|1,0,0]=3 9319 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|1,0,0]=3 9320 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|1,0,0]=3 9321 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|1,0,0]=3 9322 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 9323 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|1,0,0]=3 9324 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 9325 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|1,0,0]=3 9326 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|1,0,0]=3 9327 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,2,0,0,0,0|2,0,0]=4 9328 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|1,0,0]=3 9329 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|1,0,0]=3 9330 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|1,0,0]=3 9331 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|1,0,0]=3 9332 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|1,0,0]=3 9333 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|1,0,0]=3 9334 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,2,0,0,0,0|1,0,1]=4 9335 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,2,0,0,0,0|1,0,1]=4 9336 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|1,0,0]=3 9337 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|1,0,0]=3 9338 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|1,0,0]=3 9339 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|1,0,0]=3 9340 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|1,0,0]=3 9341 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|1,0,0]=3 9342 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|1,0,0]=3 9343 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|1,0,0]=3 9344 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|1,0,0]=3 9345 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|1,0,0]=3 9346 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,2,0,0,0,0|2,0,0]=4 9347 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|1,0,0]=3 9348 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,2,0,0,0,0|2,0,0]=4 9349 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,2,0,0,0,0|2,0,0]=4 9350 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,2,0,0,0,0|2,0,0]=4 9351 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,2,0,0,0,0|2,0,0]=4 9352 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,2,0,0,0,0|2,0,0]=4 9353 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,2,0,0,0,0|0,0,2]=4 9354 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,2,0,0,0,0|0,0,2]=4 9355 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,2,0,0,0,0|0,0,2]=4 9356 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,2,0,0,0,0|0,0,2]=4 9357 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,2,0,0,0,0|0,0,1]=3 9358 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|0,0,0]=2 9359 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|0,0,0]=2 9360 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|0,0,0]=2 9361 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|0,0,0]=2 9362 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|0,0,0]=2 9363 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,2,0,0,0,0|2,0,0]=4 9364 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,2,0,0,0,0|2,0,0]=4 9365 B10R0.1 CCOCCNC(=O)CC#N 1626a_102516460346_100051588842 [0,2,0,0,0,0|1,0,1]=4 9366 B10R0.1 CCOCCNC(=O)CC#N 240690a_100011200944_100051588842 [0,2,0,0,0,0|1,0,1]=4 9367 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,2,0,0,0,0|1,0,0]=3 9368 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|1,0,0]=3 9369 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|1,0,0]=3 9370 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|1,0,0]=3 9371 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|1,0,0]=3 9372 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,2,0,0,0,0|1,0,0]=3 9373 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,2,0,0,0,0|1,0,0]=3 9374 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,2,0,0,0,0|1,0,0]=3 9375 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,2,0,0,0,0|1,0,0]=3 9376 B10R0.1 CCOCCNC(=O)NNC 273464a_102516460346_100016993582 [0,2,0,0,0,0|2,0,0]=4 9377 B10R0.1 CCOCCNC(=O)NNC 512a_100011200944_100016993582 [0,2,0,0,0,0|2,0,0]=4 9378 B10R0.1 CCOCCNC(=O)NNC 512a_100016993582_100011200944 [0,2,0,0,0,0|2,0,0]=4 9379 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|1,0,0]=3 9380 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,2,0,0,0,0|1,0,0]=3 9381 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,2,0,0,0,0|1,0,0]=3 9382 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,2,0,0,0,0|1,0,0]=3 9383 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|1,0,0]=3 9384 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,2,0,0,0,0|1,0,0]=3 9385 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,2,0,0,0,0|1,0,0]=3 9386 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,2,0,0,0,0|1,0,0]=3 9387 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,2,0,0,0,0|1,0,0]=3 9388 B10R0.1 CCOCSCC(=O)NCO 62a_100000185155_100000739092 [0,2,0,0,0,0|2,0,0]=4 9389 B10R0.1 CCOCSCC(=O)NCO 62a_100000739092_100000185155 [0,2,0,0,0,0|2,0,0]=4 9390 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|1,0,0]=3 9391 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|1,0,0]=3 9392 B10R0.1 CCSCCNC(=O)CC#N 1626a_100000106463_100051588842 [0,2,0,0,0,0|1,0,1]=4 9393 B10R0.1 CCSCCNC(=O)CC#N 240690a_100000106463_100051588842 [0,2,0,0,0,0|1,0,1]=4 9394 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|1,0,0]=3 9395 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 9396 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 9397 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 9398 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 9399 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,2,0,0,0,0|1,0,0]=3 9400 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,2,0,0,0,0|1,0,0]=3 9401 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,2,0,0,0,0|1,0,0]=3 9402 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,2,0,0,0,0|1,0,0]=3 9403 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 9404 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 9405 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,2,0,0,0,0|2,0,0]=4 9406 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [0,2,0,0,0,0|2,0,0]=4 9407 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [0,2,0,0,0,0|2,0,0]=4 9408 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,2,0,0,0,0|2,0,0]=4 9409 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,2,0,0,0,0|2,0,0]=4 9410 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,2,0,0,0,0|2,0,0]=4 9411 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,2,0,0,0,0|2,0,0]=4 9412 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,2,0,0,0,0|2,0,0]=4 9413 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,2,0,0,0,0|2,0,0]=4 9414 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,2,0,0,0,0|1,0,0]=3 9415 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,2,0,0,0,0|1,0,0]=3 9416 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,2,0,0,0,0|1,0,0]=3 9417 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|1,0,0]=3 9418 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [0,2,0,0,0,0|2,0,0]=4 9419 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,2,0,0,0,0|2,0,0]=4 9420 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,2,0,0,0,0|2,0,0]=4 9421 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,2,0,0,0,0|2,0,0]=4 9422 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,2,0,0,0,0|2,0,0]=4 9423 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,2,0,0,0,0|2,0,0]=4 9424 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,2,0,0,0,0|2,0,0]=4 9425 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 9426 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 9427 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,2,0,0,0,0|2,0,0]=4 9428 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,2,0,0,0,0|0,0,1]=3 9429 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|0,0,0]=2 9430 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|0,0,0]=2 9431 B10R0.1 COCC(=O)CCOCC#N 1458a_100000210968_200000047693 [0,2,0,0,0,0|1,0,1]=4 9432 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|1,0,0]=3 9433 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|1,0,0]=3 9434 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|1,0,0]=3 9435 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 9436 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 9437 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 9438 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 9439 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,2,0,0,0,0|0,0,2]=4 9440 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,2,0,0,0,0|0,0,2]=4 9441 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,2,0,0,0,0|0,0,2]=4 9442 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,2,0,0,0,0|0,0,1]=3 9443 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|0,0,0]=2 9444 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|0,0,0]=2 9445 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|0,0,0]=2 9446 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,2,0,0,0,0|2,0,0]=4 9447 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,2,0,0,0,0|2,0,0]=4 9448 B10R0.1 COCCCNC(=O)CC#N 1626a_100150723488_100051588842 [0,2,0,0,0,0|1,0,1]=4 9449 B10R0.1 COCCCNC(=O)CC#N 240690a_100150723488_100051588842 [0,2,0,0,0,0|1,0,1]=4 9450 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|1,0,0]=3 9451 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|1,0,0]=3 9452 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|1,0,0]=3 9453 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|1,0,0]=3 9454 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|1,0,0]=3 9455 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,2,0,0,0,0|1,0,0]=3 9456 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,2,0,0,0,0|1,0,0]=3 9457 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,2,0,0,0,0|1,0,0]=3 9458 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,2,0,0,0,0|1,0,0]=3 9459 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,2,0,0,0,0|1,0,0]=3 9460 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,2,0,0,0,0|2,0,0]=4 9461 B10R0.1 COCCNNC(=O)CCO 22a_100000741390_100011216618 [0,2,0,0,0,0|2,0,0]=4 9462 B10R0.1 COCCNNC(=O)COC 22a_100000741390_100000210968 [0,2,0,0,0,0|2,0,0]=4 9463 B10R0.1 COCCNNC(=O)CSC 22a_100000741390_100000184570 [0,2,0,0,0,0|2,0,0]=4 9464 B10R0.1 COCCOCC(=O)CC#N 1458a_100000211095_100011214920 [0,2,0,0,0,0|1,0,1]=4 9465 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,2,0,0,0,0|1,0,0]=3 9466 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|1,0,0]=3 9467 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,2,0,0,0,0|2,0,0]=4 9468 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,2,0,0,0,0|2,0,0]=4 9469 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,2,0,0,0,0|2,0,0]=4 9470 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,2,0,0,0,0|2,0,0]=4 9471 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,2,0,0,0,0|2,0,0]=4 9472 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,2,0,0,0,0|0,0,1]=3 9473 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|0,0,0]=2 9474 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|0,0,0]=2 9475 B10R0.1 CSCC(=O)CCOCC#N 1458a_100000184570_200000047693 [0,2,0,0,0,0|1,0,1]=4 9476 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,2,0,0,0,0|1,0,0]=3 9477 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,2,0,0,0,0|1,0,0]=3 9478 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,2,0,0,0,0|1,0,0]=3 9479 B10R0.1 CSCCCNC(=O)CC#N 1626a_100000749238_100051588842 [0,2,0,0,0,0|1,0,1]=4 9480 B10R0.1 CSCCCNC(=O)CC#N 240690a_100000749238_100051588842 [0,2,0,0,0,0|1,0,1]=4 9481 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|1,0,0]=3 9482 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,2,0,0,0,0|1,0,0]=3 9483 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,2,0,0,0,0|1,0,0]=3 9484 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,2,0,0,0,0|1,0,0]=3 9485 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,2,0,0,0,0|1,0,0]=3 9486 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,2,0,0,0,0|2,0,0]=4 9487 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 9488 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 9489 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,2,0,0,0,0|2,0,0]=4 9490 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,2,0,0,0,0|2,0,0]=4 9491 B10R0.1 CSCN(C)CCCCCO 2230a_100000722520_100011218213 [0,2,0,0,0,0|2,0,0]=4 9492 B10R0.1 CSCN(C)CCCCCO 269982a_100000722520_100011218213 [0,2,0,0,0,0|2,0,0]=4 9493 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,2,0,0,0,0|0,0,1]=3 9494 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,2,0,0,0,0|0,0,1]=3 9495 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,2,0,0,0,0|0,0,1]=3 9496 B10R0.1 N#CCC(=O)CCOCCO 1458a_100011229844_100011214920 [0,2,0,0,0,0|1,0,1]=4 9497 B10R0.1 N#CCC(=O)CCOCCO 1458a_100051588842_100011215305 [0,2,0,0,0,0|1,0,1]=4 9498 B10R0.1 N#CCC(=O)NCCCCO 240690a_100000750430_100051588842 [0,2,0,0,0,0|1,0,1]=4 9499 B10R0.1 N#CCCCCC(=O)CC#N 1458a_100051588842_100000211819 [0,2,0,0,0,0|0,0,2]=4 9500 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,2,0,0,0,0|0,0,1]=3 9501 B10R0.1 N#CCOCCC(=O)CCO 1458a_100011216618_200000047693 [0,2,0,0,0,0|1,0,1]=4 9502 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,2,0,0,0,0|2,0,0]=4 9503 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|0,0,2]=4 9504 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|0,0,2]=4 9505 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|0,0,2]=4 9506 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|0,0,2]=4 9507 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|0,0,2]=4 9508 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|0,0,2]=4 9509 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|0,0,0]=2 9510 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,2,0,0,0,0|1,0,0]=3 9511 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|0,0,0]=2 9512 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|0,0,0]=2 9513 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|0,0,0]=2 9514 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,2,0,0,0,0|1,0,0]=3 9515 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,2,0,0,0,0|1,0,0]=3 9516 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,2,0,0,0,0|1,0,0]=3 9517 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 9518 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 9519 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,2,0,0,0,0|2,0,0]=4 9520 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,2,0,0,0,0|2,0,0]=4 9521 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,2,0,0,0,0|2,0,0]=4 9522 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,2,0,0,0,0|2,0,0]=4 9523 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,2,0,0,0,0|2,0,0]=4 9524 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,2,0,0,0,0|2,0,0]=4 9525 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,2,0,0,0,0|2,0,0]=4 9526 B10R0.1 [N-]=[N+]=NCCCC(=O)CCF 1458a_100010262590_100011217306 [0,2,0,0,0,0|2,0,0]=4 9527 B10R0.1 [N-]=[N+]=NCCCC(=O)CCO 1458a_100010262590_100000211926 [0,2,0,0,0,0|2,0,0]=4 9528 B10R0.2 C#CCC(=O)CC(=C)CCC 1458a_100000138376_100000184674 [0,2,0,0,0,0|0,0,2]=4 9529 B10R0.2 C#CCC(=O)CC(=O)CCC 1458a_100011220946_100000747444 [0,2,0,0,0,0|0,0,2]=4 9530 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [0,2,0,0,0,0|0,0,1]=3 9531 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [0,2,0,0,0,0|0,0,1]=3 9532 B10R0.2 C#CCC(=O)CC(C)SCC 1458a_200011311441_100000184674 [0,2,0,0,0,0|1,0,1]=4 9533 B10R0.2 C#CCC(=O)CS(=O)CCC 1458a_100011387404_100000184674 [0,2,0,0,0,0|1,0,1]=4 9534 B10R0.2 C#CCC(=O)NC(C)CCC 1626a_100000741246_100011220946 [0,2,0,0,0,0|1,0,1]=4 9535 B10R0.2 C#CCC(=O)NC(C)CCC 527a_100000741246_100011220946 [0,2,0,0,0,0|1,0,1]=4 9536 B10R0.2 C=C(CCC)CC(=O)CC#N 1458a_100000138376_100011214920 [0,2,0,0,0,0|0,0,2]=4 9537 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,2,0,0,0,0|0,0,1]=3 9538 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,2,0,0,0,0|0,0,1]=3 9539 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,2,0,0,0,0|0,0,1]=3 9540 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,2,0,0,0,0|0,0,1]=3 9541 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,2,0,0,0,0|0,0,1]=3 9542 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,2,0,0,0,0|0,0,1]=3 9543 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,2,0,0,0,0|1,0,1]=4 9544 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [0,2,0,0,0,0|0,0,2]=4 9545 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,2,0,0,0,0|0,0,2]=4 9546 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,2,0,0,0,0|0,0,1]=3 9547 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,2,0,0,0,0|0,0,1]=3 9548 B10R0.2 C=CCC(=O)CC(C)SCC 1458a_200011311441_100000210623 [0,2,0,0,0,0|1,0,1]=4 9549 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [0,2,0,0,0,0|1,0,1]=4 9550 B10R0.2 C=CCC(=O)NC(C)CCC 11a_100000741246_100000210193 [0,2,0,0,0,0|1,0,1]=4 9551 B10R0.2 C=CCC(=O)NC(C)CCC 1626a_100000741246_100000210193 [0,2,0,0,0,0|1,0,1]=4 9552 B10R0.2 C=CCC(=O)NC(C)CCC 240690a_100000741246_100000210193 [0,2,0,0,0,0|1,0,1]=4 9553 B10R0.2 C=CCC(=O)NC(C)CCC 527a_100000741246_100000210193 [0,2,0,0,0,0|1,0,1]=4 9554 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,2,0,0,0,0|0,0,2]=4 9555 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,2,0,0,0,0|0,0,1]=3 9556 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,2,0,0,0,0|0,0,2]=4 9557 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,2,0,0,0,0|0,0,1]=3 9558 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,2,0,0,0,0|1,0,1]=4 9559 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,2,0,0,0,0|1,0,1]=4 9560 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,2,0,0,0,0|1,0,1]=4 9561 B10R0.2 CCCC(=CC(=O)CCF)C 1458a_100020676950_100011217306 [0,2,0,0,0,0|0,0,2]=4 9562 B10R0.2 CCCC(=CC(=O)CCO)C 1458a_100020676950_100000211926 [0,2,0,0,0,0|0,0,2]=4 9563 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,2,0,0,0,0|0,0,2]=4 9564 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,2,0,0,0,0|0,0,2]=4 9565 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,2,0,0,0,0|0,0,2]=4 9566 B10R0.2 CCCC(=O)CC(=O)CC#N 1458a_100051588842_100000747444 [0,2,0,0,0,0|0,0,2]=4 9567 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,2,0,0,0,0|0,0,1]=3 9568 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,2,0,0,0,0|0,0,1]=3 9569 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|0,0,1]=3 9570 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|0,0,1]=3 9571 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,2,0,0,0,0|0,0,1]=3 9572 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,2,0,0,0,0|1,0,1]=4 9573 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|0,0,1]=3 9574 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|0,0,1]=3 9575 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|0,0,0]=2 9576 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|0,0,0]=2 9577 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,2,0,0,0,0|1,0,0]=3 9578 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,2,0,0,0,0|1,0,0]=3 9579 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,2,0,0,0,0|1,0,0]=3 9580 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,2,0,0,0,0|2,0,0]=4 9581 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,2,0,0,0,0|2,0,0]=4 9582 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,2,0,0,0,0|1,0,0]=3 9583 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,2,0,0,0,0|1,0,0]=3 9584 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,2,0,0,0,0|1,0,0]=3 9585 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,2,0,0,0,0|1,0,0]=3 9586 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,2,0,0,0,0|1,0,0]=3 9587 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,2,0,0,0,0|2,0,0]=4 9588 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,2,0,0,0,0|2,0,0]=4 9589 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 9590 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 9591 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 9592 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,2,0,0,0,0|2,0,0]=4 9593 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,2,0,0,0,0|0,0,2]=4 9594 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,2,0,0,0,0|0,0,2]=4 9595 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,2,0,0,0,0|0,0,2]=4 9596 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [0,2,0,0,0,0|0,0,1]=3 9597 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [0,2,0,0,0,0|0,0,1]=3 9598 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|0,0,0]=2 9599 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|0,0,0]=2 9600 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|0,0,0]=2 9601 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|0,0,0]=2 9602 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,2,0,0,0,0|0,0,0]=2 9603 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|0,0,0]=2 9604 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|0,0,0]=2 9605 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|0,0,0]=2 9606 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,2,0,0,0,0|1,0,0]=3 9607 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [0,2,0,0,0,0|2,0,0]=4 9608 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [0,2,0,0,0,0|2,0,0]=4 9609 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [0,2,0,0,0,0|2,0,0]=4 9610 B10R0.2 CCCC(C)CN(C)CCO 2230a_100000210263_100011216630 [0,2,0,0,0,0|2,0,0]=4 9611 B10R0.2 CCCC(C)CN(C)CCO 269982a_100000210263_100011216630 [0,2,0,0,0,0|2,0,0]=4 9612 B10R0.2 CCCC(C)CN(C)CCO 270004a_100000210263_100000243154 [0,2,0,0,0,0|2,0,0]=4 9613 B10R0.2 CCCC(C)NC(=O)CC#N 1626a_100000741246_100051588842 [0,2,0,0,0,0|1,0,1]=4 9614 B10R0.2 CCCC(C)NC(=O)CC#N 240690a_100000741246_100051588842 [0,2,0,0,0,0|1,0,1]=4 9615 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,2,0,0,0,0|1,0,0]=3 9616 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,2,0,0,0,0|1,0,0]=3 9617 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,2,0,0,0,0|1,0,0]=3 9618 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,2,0,0,0,0|1,0,0]=3 9619 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,2,0,0,0,0|1,0,0]=3 9620 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,2,0,0,0,0|1,0,0]=3 9621 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,2,0,0,0,0|1,0,0]=3 9622 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,2,0,0,0,0|1,0,0]=3 9623 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,2,0,0,0,0|1,0,0]=3 9624 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,2,0,0,0,0|1,0,0]=3 9625 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,2,0,0,0,0|1,0,0]=3 9626 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,2,0,0,0,0|1,0,0]=3 9627 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,2,0,0,0,0|1,0,0]=3 9628 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,2,0,0,0,0|1,0,0]=3 9629 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,2,0,0,0,0|2,0,0]=4 9630 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,2,0,0,0,0|2,0,0]=4 9631 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,2,0,0,0,0|2,0,0]=4 9632 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,2,0,0,0,0|1,0,0]=3 9633 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,2,0,0,0,0|1,0,0]=3 9634 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,2,0,0,0,0|1,0,0]=3 9635 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,2,0,0,0,0|1,0,0]=3 9636 B10R0.2 CCCN(C)CC(=O)NCO 2230a_100000747261_100000185155 [0,2,0,0,0,0|2,0,0]=4 9637 B10R0.2 CCCN(C)CC(=O)NCO 269982a_100000747261_100000185155 [0,2,0,0,0,0|2,0,0]=4 9638 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|1,0,0]=3 9639 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|1,0,0]=3 9640 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|1,0,0]=3 9641 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|1,0,0]=3 9642 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|1,0,0]=3 9643 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|1,0,0]=3 9644 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|1,0,0]=3 9645 B10R0.2 CCCS(=O)CC(=O)CC#N 1458a_100011387404_100011214920 [0,2,0,0,0,0|1,0,1]=4 9646 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,2,0,0,0,0|1,0,0]=3 9647 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,2,0,0,0,0|1,0,0]=3 9648 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,2,0,0,0,0|1,0,0]=3 9649 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,2,0,0,0,0|1,0,0]=3 9650 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,2,0,0,0,0|1,0,0]=3 9651 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,2,0,0,0,0|2,0,0]=4 9652 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,2,0,0,0,0|1,0,1]=4 9653 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,2,0,0,0,0|1,0,1]=4 9654 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,2,0,0,0,0|1,0,1]=4 9655 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|1,0,1]=4 9656 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 9657 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 9658 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 9659 B10R0.2 CCNC(=O)CN(C)CCF 2230a_100000741943_100011217306 [0,2,0,0,0,0|2,0,0]=4 9660 B10R0.2 CCNC(=O)CN(C)CCF 269982a_100000741943_100011217306 [0,2,0,0,0,0|2,0,0]=4 9661 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [0,2,0,0,0,0|2,0,0]=4 9662 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [0,2,0,0,0,0|2,0,0]=4 9663 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [0,2,0,0,0,0|2,0,0]=4 9664 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [0,2,0,0,0,0|2,0,0]=4 9665 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,2,0,0,0,0|2,0,0]=4 9666 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,2,0,0,0,0|2,0,0]=4 9667 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,2,0,0,0,0|2,0,0]=4 9668 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,2,0,0,0,0|2,0,0]=4 9669 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,2,0,0,0,0|2,0,0]=4 9670 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,2,0,0,0,0|2,0,0]=4 9671 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,2,0,0,0,0|2,0,0]=4 9672 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,2,0,0,0,0|2,0,0]=4 9673 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 9674 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 9675 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 9676 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 9677 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 9678 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 9679 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|1,0,0]=3 9680 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|1,0,1]=4 9681 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|1,0,1]=4 9682 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|1,0,1]=4 9683 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|1,0,1]=4 9684 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|1,0,1]=4 9685 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|1,0,1]=4 9686 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|1,0,1]=4 9687 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|1,0,1]=4 9688 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|1,0,1]=4 9689 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|1,0,0]=3 9690 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|1,0,0]=3 9691 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,2,0,0,0,0|2,0,0]=4 9692 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,2,0,0,0,0|2,0,0]=4 9693 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,2,0,0,0,0|2,0,0]=4 9694 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,2,0,0,0,0|2,0,0]=4 9695 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,2,0,0,0,0|2,0,0]=4 9696 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,2,0,0,0,0|2,0,0]=4 9697 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,2,0,0,0,0|2,0,0]=4 9698 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|2,0,0]=4 9699 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|1,0,0]=3 9700 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,2,0,0,0,0|2,0,0]=4 9701 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|1,0,0]=3 9702 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|1,0,0]=3 9703 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|1,0,0]=3 9704 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|1,0,0]=3 9705 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|1,0,0]=3 9706 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|1,0,0]=3 9707 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|1,0,0]=3 9708 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,2,0,0,0,0|2,0,0]=4 9709 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,2,0,0,0,0|2,0,0]=4 9710 B10R0.2 CCSC(C)CC(=O)CC#N 1458a_200011311441_100011214920 [0,2,0,0,0,0|1,0,1]=4 9711 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,2,0,0,0,0|1,0,0]=3 9712 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,2,0,0,0,0|1,0,0]=3 9713 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,2,0,0,0,0|2,0,0]=4 9714 B10R0.2 COCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210968 [0,2,0,0,0,0|2,0,0]=4 9715 B10R0.2 COCC(=O)N[C@H](C)CCO 527a_100000706166_100000210968 [0,2,0,0,0,0|2,0,0]=4 9716 B10R0.2 COCC(=O)N[C@H](C)COC 11a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 9717 B10R0.2 COCC(=O)N[C@H](C)COC 1626a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 9718 B10R0.2 COCC(=O)N[C@H](C)COC 240690a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 9719 B10R0.2 COCC(=O)N[C@H](C)COC 527a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 9720 B10R0.2 COC[C@@H](C)NC(=O)CCO 240690a_100000764878_100011216618 [0,2,0,0,0,0|2,0,0]=4 9721 B10R0.2 COC[C@@H](C)NC(=O)CSC 11a_100000764878_100000184570 [0,2,0,0,0,0|2,0,0]=4 9722 B10R0.2 COC[C@@H](C)NC(=O)CSC 1626a_100000764878_100000184570 [0,2,0,0,0,0|2,0,0]=4 9723 B10R0.2 COC[C@@H](C)NC(=O)CSC 240690a_100000764878_100000184570 [0,2,0,0,0,0|2,0,0]=4 9724 B10R0.2 COC[C@@H](C)NC(=O)CSC 527a_100000764878_100000184570 [0,2,0,0,0,0|2,0,0]=4 9725 B10R0.2 CSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000184570 [0,2,0,0,0,0|2,0,0]=4 9726 B10R0.2 CSCC(=O)N[C@H](C)CCO 527a_100000706166_100000184570 [0,2,0,0,0,0|2,0,0]=4 9727 B10R0.2 C[C@H](CCO)NC(=O)CCO 240690a_100000706166_100011216618 [0,2,0,0,0,0|2,0,0]=4 9728 B10R0.6 C#CCCCC(=O)CC(=C)C 1458a_100000690238_100000748629 [0,2,0,0,0,0|0,0,2]=4 9729 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [0,2,0,0,0,0|0,0,2]=4 9730 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [0,2,0,0,0,0|0,0,2]=4 9731 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,2,0,0,0,0|0,0,2]=4 9732 B10R0.6 C#CCCCC(=O)CC(F)F 1458a_100000690238_100011934356 [0,2,0,0,0,0|0,0,2]=4 9733 B10R0.6 C#CCCCC(=O)CN(C)C 1458a_100000750896_100000731252 [0,2,0,0,0,0|0,0,2]=4 9734 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,2,0,0,0,0|0,0,2]=4 9735 B10R0.6 C#CCCCC(=O)C[S+](C)C 1458a_200159257847_100000731252 [0,2,0,0,0,0|0,0,2]=4 9736 B10R0.6 C#CCCCC(=O)NC(C)C 11a_100138425928_100000690238 [0,2,0,0,0,0|0,0,2]=4 9737 B10R0.6 C#CCCCC(=O)NC(C)C 1626a_100138425928_100000690238 [0,2,0,0,0,0|0,0,2]=4 9738 B10R0.6 C#CCCCC(=O)NC(C)C 240690a_100138425928_100000690238 [0,2,0,0,0,0|0,0,2]=4 9739 B10R0.6 C#CCCCC(=O)NC(C)C 527a_100138425928_100000690238 [0,2,0,0,0,0|0,0,2]=4 9740 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [0,2,0,0,0,0|0,0,2]=4 9741 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [0,2,0,0,0,0|0,0,2]=4 9742 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,2,0,0,0,0|0,0,2]=4 9743 B10R0.6 C=C(C)CC(=O)CCCC#N 1458a_100000075515_100000748629 [0,2,0,0,0,0|1,0,1]=4 9744 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|0,0,0]=2 9745 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|1,0,0]=3 9746 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|1,0,0]=3 9747 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|1,0,0]=3 9748 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|1,0,0]=3 9749 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|1,0,0]=3 9750 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|1,0,0]=3 9751 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [0,2,0,0,0,0|2,0,0]=4 9752 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,2,0,0,0,0|1,0,0]=3 9753 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 9754 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,2,0,0,0,0|2,0,0]=4 9755 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 9756 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,2,0,0,0,0|2,0,0]=4 9757 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,2,0,0,0,0|0,0,1]=3 9758 B10R0.6 C=C(F)CC(=O)CCCCO 1458a_100000695505_100009893438 [0,2,0,0,0,0|1,0,1]=4 9759 B10R0.6 C=C(F)CC(=O)CCCOC 1458a_100000741012_100009893438 [0,2,0,0,0,0|1,0,1]=4 9760 B10R0.6 C=C(F)CC(=O)CCCSC 1458a_100000173376_100009893438 [0,2,0,0,0,0|1,0,1]=4 9761 B10R0.6 C=C(F)CC(=O)CCOCC 1458a_100000749530_100009893438 [0,2,0,0,0,0|1,0,1]=4 9762 B10R0.6 C=C(F)CC(=O)CCSCC 1458a_100000230768_100009893438 [0,2,0,0,0,0|1,0,1]=4 9763 B10R0.6 C=C(F)CC(=O)COCCC 1458a_100000745993_100009893438 [0,2,0,0,0,0|1,0,1]=4 9764 B10R0.6 C=C(F)CC(=O)CSCCC 1458a_100000217233_100009893438 [0,2,0,0,0,0|1,0,1]=4 9765 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,2,0,0,0,0|0,0,2]=4 9766 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,2,0,0,0,0|0,0,2]=4 9767 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,2,0,0,0,0|0,0,2]=4 9768 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,2,0,0,0,0|0,0,2]=4 9769 B10R0.6 C=CCCCC(=O)CC(F)F 1458a_100000766728_100011934356 [0,2,0,0,0,0|0,0,2]=4 9770 B10R0.6 C=CCCCC(=O)CN(C)C 1458a_100000750896_100000757094 [0,2,0,0,0,0|0,0,2]=4 9771 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,2,0,0,0,0|0,0,2]=4 9772 B10R0.6 C=CCCCC(=O)C[S+](C)C 1458a_200159257847_100000757094 [0,2,0,0,0,0|0,0,2]=4 9773 B10R0.6 C=CCCCC(=O)NC(C)C 11a_100138425928_100000766728 [0,2,0,0,0,0|0,0,2]=4 9774 B10R0.6 C=CCCCC(=O)NC(C)C 1626a_100138425928_100000766728 [0,2,0,0,0,0|0,0,2]=4 9775 B10R0.6 C=CCCCC(=O)NC(C)C 240690a_100138425928_100000766728 [0,2,0,0,0,0|0,0,2]=4 9776 B10R0.6 C=CCCCC(=O)NC(C)C 527a_100138425928_100000766728 [0,2,0,0,0,0|0,0,2]=4 9777 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,2,0,0,0,0|1,0,1]=4 9778 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,2,0,0,0,0|1,0,1]=4 9779 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,2,0,0,0,0|1,0,1]=4 9780 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,2,0,0,0,0|1,0,1]=4 9781 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,2,0,0,0,0|1,0,1]=4 9782 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,2,0,0,0,0|1,0,1]=4 9783 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|2,0,0]=4 9784 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|2,0,0]=4 9785 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [0,2,0,0,0,0|1,0,1]=4 9786 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [0,2,0,0,0,0|1,0,1]=4 9787 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|1,0,0]=3 9788 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|1,0,0]=3 9789 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|1,0,0]=3 9790 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,2,0,0,0,0|2,0,0]=4 9791 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,2,0,0,0,0|2,0,0]=4 9792 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,2,0,0,0,0|2,0,0]=4 9793 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,2,0,0,0,0|2,0,0]=4 9794 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,2,0,0,0,0|2,0,0]=4 9795 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,2,0,0,0,0|2,0,0]=4 9796 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,2,0,0,0,0|2,0,0]=4 9797 B10R0.6 CC(C)NC(=O)CCCC#N 11a_100138425928_100000075515 [0,2,0,0,0,0|1,0,1]=4 9798 B10R0.6 CC(C)NC(=O)CCCC#N 1626a_100138425928_100000075515 [0,2,0,0,0,0|1,0,1]=4 9799 B10R0.6 CC(C)NC(=O)CCCC#N 240690a_100138425928_100000075515 [0,2,0,0,0,0|1,0,1]=4 9800 B10R0.6 CC(C)NC(=O)CCCC#N 527a_100138425928_100000075515 [0,2,0,0,0,0|1,0,1]=4 9801 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,2,0,0,0,0|1,0,0]=3 9802 B10R0.6 CC(C)NC(=O)CCSCF 62a_100000737564_100015361967 [0,2,0,0,0,0|2,0,0]=4 9803 B10R0.6 CC(C)NC(=O)CCSCF 62a_100015361967_100000737564 [0,2,0,0,0,0|2,0,0]=4 9804 B10R0.6 CC(C)NC(=O)CNCCF 2230a_100000168517_100011217306 [0,2,0,0,0,0|2,0,0]=4 9805 B10R0.6 CC(C)NC(=O)CNCCF 34a_100000724931_100000183996 [0,2,0,0,0,0|2,0,0]=4 9806 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100000168517_100000211926 [0,2,0,0,0,0|2,0,0]=4 9807 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100016997473_100000183996 [0,2,0,0,0,0|2,0,0]=4 9808 B10R0.6 CC(C)NC(=O)CNCCO 34a_100016990907_100000183996 [0,2,0,0,0,0|2,0,0]=4 9809 B10R0.6 CC(C)NC(=O)COCCBr 34a_100000211926_100000183996 [0,2,0,0,0,0|2,0,0]=4 9810 B10R0.6 CC(C)NC(=O)COCCN 34a_100000210304_100000183996 [0,2,0,0,0,0|2,0,0]=4 9811 B10R0.6 CC(C)NC(=O)COCCO 1626a_100138425928_100000708028 [0,2,0,0,0,0|2,0,0]=4 9812 B10R0.6 CC(C)NC(=O)COCCO 240690a_100138425928_100000708028 [0,2,0,0,0,0|2,0,0]=4 9813 B10R0.6 CC(C)NC(=O)CSCCF 62a_100000183996_100011217306 [0,2,0,0,0,0|2,0,0]=4 9814 B10R0.6 CC(C)NC(=O)CSCCF 62a_100011217306_100000183996 [0,2,0,0,0,0|2,0,0]=4 9815 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000183996_100000211926 [0,2,0,0,0,0|2,0,0]=4 9816 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000211926_100000183996 [0,2,0,0,0,0|2,0,0]=4 9817 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100015189416_100138425928 [0,2,0,0,0,0|2,0,0]=4 9818 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 9819 B10R0.6 CC(C)NC(=O)NCCCF 273464a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 9820 B10R0.6 CC(C)NC(=O)NCCCF 512a_100015189416_100138425928 [0,2,0,0,0,0|2,0,0]=4 9821 B10R0.6 CC(C)NC(=O)NCCCF 512a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 9822 B10R0.6 CC(C)NC(=O)NCCCO 2708a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 9823 B10R0.6 CC(C)NC(=O)NCCCO 273464a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 9824 B10R0.6 CC(C)NC(=O)NCCCO 512a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 9825 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,2,0,0,0,0|2,0,0]=4 9826 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,2,0,0,0,0|2,0,0]=4 9827 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,2,0,0,0,0|2,0,0]=4 9828 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,2,0,0,0,0|2,0,0]=4 9829 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,2,0,0,0,0|2,0,0]=4 9830 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,2,0,0,0,0|2,0,0]=4 9831 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,2,0,0,0,0|2,0,0]=4 9832 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,2,0,0,0,0|2,0,0]=4 9833 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,2,0,0,0,0|2,0,0]=4 9834 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,2,0,0,0,0|2,0,0]=4 9835 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,2,0,0,0,0|2,0,0]=4 9836 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,2,0,0,0,0|1,0,1]=4 9837 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|1,0,0]=3 9838 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,2,0,0,0,0|2,0,0]=4 9839 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,2,0,0,0,0|0,0,2]=4 9840 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,2,0,0,0,0|0,0,2]=4 9841 B10R0.6 CC/C=C/CC(=O)CC(F)F 1458a_100016274230_100011934356 [0,2,0,0,0,0|0,0,2]=4 9842 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [0,2,0,0,0,0|0,0,2]=4 9843 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [0,2,0,0,0,0|0,0,2]=4 9844 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [0,2,0,0,0,0|0,0,2]=4 9845 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [0,2,0,0,0,0|0,0,2]=4 9846 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,2,0,0,0,0|0,0,2]=4 9847 B10R0.6 CC/C=C\CC(=O)CN(C)C 1458a_100000750896_100103147603 [0,2,0,0,0,0|0,0,2]=4 9848 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,2,0,0,0,0|0,0,2]=4 9849 B10R0.6 CC/C=C\CC(=O)C[S+](C)C 1458a_200159257847_100103147603 [0,2,0,0,0,0|0,0,2]=4 9850 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [0,2,0,0,0,0|0,0,2]=4 9851 B10R0.6 CCC#CCC(=O)CN(C)C 1458a_100000750896_100009813939 [0,2,0,0,0,0|0,0,2]=4 9852 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,2,0,0,0,0|0,0,2]=4 9853 B10R0.6 CCC#CCC(=O)C[S+](C)C 1458a_200159257847_100009813939 [0,2,0,0,0,0|0,0,2]=4 9854 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [0,2,0,0,0,0|0,0,2]=4 9855 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,2,0,0,0,0|0,0,2]=4 9856 B10R0.6 CCCC#CC(=O)CC(F)F 1458a_200011218047_100011934356 [0,2,0,0,0,0|0,0,2]=4 9857 B10R0.6 CCCC#CC(=O)NC(C)C 240690a_100138425928_200011218047 [0,2,0,0,0,0|0,0,2]=4 9858 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,2,0,0,0,0|0,0,2]=4 9859 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,2,0,0,0,0|0,0,2]=4 9860 B10R0.6 CCCC=CC(=O)CC(F)F 1458a_100000212230_100011934356 [0,2,0,0,0,0|0,0,2]=4 9861 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,2,0,0,0,0|0,0,2]=4 9862 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,2,0,0,0,0|0,0,2]=4 9863 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,2,0,0,0,0|0,0,2]=4 9864 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|0,0,1]=3 9865 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|0,0,1]=3 9866 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|0,0,1]=3 9867 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,2,0,0,0,0|0,0,2]=4 9868 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|0,0,0]=2 9869 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|0,0,1]=3 9870 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|0,0,1]=3 9871 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|0,0,1]=3 9872 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|0,0,0]=2 9873 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|0,0,0]=2 9874 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|0,0,0]=2 9875 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|0,0,0]=2 9876 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|0,0,0]=2 9877 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|0,0,0]=2 9878 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|0,0,0]=2 9879 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|0,0,0]=2 9880 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,2,0,0,0,0|1,0,0]=3 9881 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|0,0,0]=2 9882 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|0,0,0]=2 9883 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|0,0,0]=2 9884 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|0,0,0]=2 9885 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|0,0,0]=2 9886 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,2,0,0,0,0|1,0,1]=4 9887 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,2,0,0,0,0|1,0,1]=4 9888 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,2,0,0,0,0|1,0,1]=4 9889 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,2,0,0,0,0|1,0,1]=4 9890 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,2,0,0,0,0|1,0,1]=4 9891 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,2,0,0,0,0|1,0,1]=4 9892 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,2,0,0,0,0|1,0,1]=4 9893 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,2,0,0,0,0|1,0,1]=4 9894 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,2,0,0,0,0|2,0,0]=4 9895 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,2,0,0,0,0|2,0,0]=4 9896 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,2,0,0,0,0|2,0,0]=4 9897 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,2,0,0,0,0|2,0,0]=4 9898 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,2,0,0,0,0|2,0,0]=4 9899 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,2,0,0,0,0|2,0,0]=4 9900 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,2,0,0,0,0|2,0,0]=4 9901 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,2,0,0,0,0|2,0,0]=4 9902 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,2,0,0,0,0|2,0,0]=4 9903 B10R0.6 CCCCCN(C)CC(F)F 2230a_100000223495_100011934356 [0,2,0,0,0,0|2,0,0]=4 9904 B10R0.6 CCCCCN(C)CC(F)F 269982a_100000223495_100011934356 [0,2,0,0,0,0|2,0,0]=4 9905 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,2,0,0,0,0|2,0,0]=4 9906 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,2,0,0,0,0|2,0,0]=4 9907 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,2,0,0,0,0|1,0,1]=4 9908 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,2,0,0,0,0|1,0,1]=4 9909 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,2,0,0,0,0|1,0,1]=4 9910 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,2,0,0,0,0|1,0,1]=4 9911 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,2,0,0,0,0|1,0,1]=4 9912 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,2,0,0,0,0|1,0,1]=4 9913 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,2,0,0,0,0|1,0,1]=4 9914 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,2,0,0,0,0|1,0,1]=4 9915 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|1,0,0]=3 9916 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 9917 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 9918 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 9919 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 9920 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 9921 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 9922 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,2,0,0,0,0|1,0,0]=3 9923 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,2,0,0,0,0|1,0,0]=3 9924 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,2,0,0,0,0|1,0,0]=3 9925 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,2,0,0,0,0|1,0,0]=3 9926 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,2,0,0,0,0|1,0,0]=3 9927 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,2,0,0,0,0|1,0,0]=3 9928 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,2,0,0,0,0|1,0,0]=3 9929 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,2,0,0,0,0|1,0,0]=3 9930 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,2,0,0,0,0|1,0,0]=3 9931 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|1,0,0]=3 9932 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,2,0,0,0,0|1,0,0]=3 9933 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,2,0,0,0,0|1,0,0]=3 9934 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,2,0,0,0,0|1,0,0]=3 9935 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,2,0,0,0,0|1,0,0]=3 9936 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,2,0,0,0,0|1,0,0]=3 9937 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,2,0,0,0,0|1,0,0]=3 9938 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,2,0,0,0,0|1,0,0]=3 9939 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,2,0,0,0,0|1,0,0]=3 9940 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,2,0,0,0,0|1,0,0]=3 9941 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|1,0,0]=3 9942 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,2,0,0,0,0|1,0,0]=3 9943 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,2,0,0,0,0|1,0,0]=3 9944 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,2,0,0,0,0|1,0,0]=3 9945 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,2,0,0,0,0|2,0,0]=4 9946 B10R0.6 CCCNNC(=O)CN(C)C 22a_100000740057_100000750896 [0,2,0,0,0,0|2,0,0]=4 9947 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,2,0,0,0,0|2,0,0]=4 9948 B10R0.6 CCCNNC(=O)C[S+](C)C 22a_100000740057_200159257847 [0,2,0,0,0,0|2,0,0]=4 9949 B10R0.6 CCCNNC(=O)NC(C)C 273464a_100138425928_100000740057 [0,2,0,0,0,0|2,0,0]=4 9950 B10R0.6 CCCNNC(=O)NC(C)C 512a_100000740057_100138425928 [0,2,0,0,0,0|2,0,0]=4 9951 B10R0.6 CCCNNC(=O)NC(C)C 512a_100138425928_100000740057 [0,2,0,0,0,0|2,0,0]=4 9952 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,1]=4 9953 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|1,0,1]=4 9954 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|1,0,0]=3 9955 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|1,0,0]=3 9956 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [0,2,0,0,0,0|1,0,0]=3 9957 B10R0.6 CCCOCC(=O)C[N+](=O)[O-] 1458a_100000745993_100000761209 [0,2,0,0,0,0|2,0,0]=4 9958 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 9959 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 9960 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 9961 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,2,0,0,0,0|1,0,0]=3 9962 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 9963 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|1,0,0]=3 9964 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,2,0,0,0,0|1,0,1]=4 9965 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,2,0,0,0,0|1,0,1]=4 9966 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,2,0,0,0,0|1,0,0]=3 9967 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|1,0,0]=3 9968 B10R0.6 CCCSCC(=O)CC(F)F 1458a_100000217233_100011934356 [0,2,0,0,0,0|1,0,0]=3 9969 B10R0.6 CCCSCC(=O)C[N+](=O)[O-] 1458a_100000217233_100000761209 [0,2,0,0,0,0|2,0,0]=4 9970 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,2,0,0,0,0|1,0,1]=4 9971 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,2,0,0,0,0|1,0,0]=3 9972 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,2,0,0,0,0|1,0,0]=3 9973 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,2,0,0,0,0|1,0,0]=3 9974 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,2,0,0,0,0|1,0,0]=3 9975 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,2,0,0,0,0|1,0,0]=3 9976 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,2,0,0,0,0|1,0,0]=3 9977 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|1,0,0]=3 9978 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|1,0,0]=3 9979 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,2,0,0,0,0|1,0,0]=3 9980 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,2,0,0,0,0|1,0,0]=3 9981 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,2,0,0,0,0|1,0,1]=4 9982 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,2,0,0,0,0|1,0,1]=4 9983 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,2,0,0,0,0|1,0,1]=4 9984 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,2,0,0,0,0|1,0,1]=4 9985 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,2,0,0,0,0|1,0,1]=4 9986 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,2,0,0,0,0|1,0,1]=4 9987 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|1,0,0]=3 9988 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|1,0,0]=3 9989 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|1,0,0]=3 9990 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [0,2,0,0,0,0|1,0,0]=3 9991 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,2,0,0,0,0|1,0,0]=3 9992 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|1,0,0]=3 9993 B10R0.6 CCOCCC(=O)C[N+](=O)[O-] 1458a_100000749530_100000761209 [0,2,0,0,0,0|2,0,0]=4 9994 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,2,0,0,0,0|1,0,0]=3 9995 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,2,0,0,0,0|1,0,0]=3 9996 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,2,0,0,0,0|1,0,0]=3 9997 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,2,0,0,0,0|1,0,0]=3 9998 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,2,0,0,0,0|1,0,0]=3 9999 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,2,0,0,0,0|1,0,1]=4 10000 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,2,0,0,0,0|1,0,1]=4 10001 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,2,0,0,0,0|1,0,1]=4 10002 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,2,0,0,0,0|1,0,1]=4 10003 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,2,0,0,0,0|1,0,1]=4 10004 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,2,0,0,0,0|1,0,1]=4 10005 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,2,0,0,0,0|1,0,0]=3 10006 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,2,0,0,0,0|1,0,0]=3 10007 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|1,0,0]=3 10008 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [0,2,0,0,0,0|1,0,0]=3 10009 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,2,0,0,0,0|1,0,0]=3 10010 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|1,0,0]=3 10011 B10R0.6 CCSCCC(=O)C[N+](=O)[O-] 1458a_100000230768_100000761209 [0,2,0,0,0,0|2,0,0]=4 10012 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,2,0,0,0,0|1,0,0]=3 10013 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,2,0,0,0,0|1,0,0]=3 10014 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,2,0,0,0,0|1,0,0]=3 10015 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,2,0,0,0,0|1,0,0]=3 10016 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,2,0,0,0,0|1,0,0]=3 10017 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,2,0,0,0,0|1,0,0]=3 10018 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,2,0,0,0,0|1,0,0]=3 10019 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|1,0,0]=3 10020 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|1,0,0]=3 10021 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,2,0,0,0,0|2,0,0]=4 10022 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,2,0,0,0,0|2,0,0]=4 10023 B10R0.6 CN(C)CC(=O)CCCC#N 1458a_100000750896_100000211468 [0,2,0,0,0,0|1,0,1]=4 10024 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,2,0,0,0,0|1,0,0]=3 10025 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,2,0,0,0,0|1,0,0]=3 10026 B10R0.6 CN(C)CC(=O)NCCCF 11a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 10027 B10R0.6 CN(C)CC(=O)NCCCF 240690a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 10028 B10R0.6 CN(C)CC(=O)NCCCF 527a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 10029 B10R0.6 CN(C)CC(=O)NCCCO 240690a_100000182051_100000750896 [0,2,0,0,0,0|2,0,0]=4 10030 B10R0.6 CN(C)CC(=O)NCCCO 527a_100000182051_100000750896 [0,2,0,0,0,0|2,0,0]=4 10031 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,2,0,0,0,0|2,0,0]=4 10032 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,2,0,0,0,0|1,0,1]=4 10033 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,2,0,0,0,0|1,0,1]=4 10034 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,2,0,0,0,0|1,0,1]=4 10035 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,2,0,0,0,0|1,0,1]=4 10036 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,2,0,0,0,0|1,0,1]=4 10037 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,2,0,0,0,0|1,0,1]=4 10038 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|1,0,0]=3 10039 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|1,0,0]=3 10040 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|1,0,0]=3 10041 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [0,2,0,0,0,0|1,0,0]=3 10042 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,2,0,0,0,0|1,0,0]=3 10043 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|1,0,0]=3 10044 B10R0.6 COCCCC(=O)C[N+](=O)[O-] 1458a_100000741012_100000761209 [0,2,0,0,0,0|2,0,0]=4 10045 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,2,0,0,0,0|1,0,0]=3 10046 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,2,0,0,0,0|1,0,0]=3 10047 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,2,0,0,0,0|1,0,0]=3 10048 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,2,0,0,0,0|1,0,0]=3 10049 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,2,0,0,0,0|1,0,0]=3 10050 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,2,0,0,0,0|2,0,0]=4 10051 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,2,0,0,0,0|2,0,0]=4 10052 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,2,0,0,0,0|2,0,0]=4 10053 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,2,0,0,0,0|2,0,0]=4 10054 B10R0.6 COCCNC(=O)CN(C)C 2230a_100020672463_200000210301 [0,2,0,0,0,0|2,0,0]=4 10055 B10R0.6 COCCNC(=O)CN(C)C 2230a_100102631434_100000183275 [0,2,0,0,0,0|2,0,0]=4 10056 B10R0.6 COCCNC(=O)CN(C)C 240690a_100000209980_100000750896 [0,2,0,0,0,0|2,0,0]=4 10057 B10R0.6 COCCNC(=O)CN(C)C 269982a_100020672463_200000210301 [0,2,0,0,0,0|2,0,0]=4 10058 B10R0.6 COCCNC(=O)CN(C)C 269982a_100102631434_100000183275 [0,2,0,0,0,0|2,0,0]=4 10059 B10R0.6 COCCNC(=O)CN(C)C 527a_100000209980_100000750896 [0,2,0,0,0,0|2,0,0]=4 10060 B10R0.6 COCCNC(=O)CN(C)[13CH3] 2230a_100020672463_200025704644 [0,2,0,0,0,0|2,0,0]=4 10061 B10R0.6 COCCNC(=O)CN(C)[13CH3] 269982a_100020672463_200025704644 [0,2,0,0,0,0|2,0,0]=4 10062 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,2,0,0,0,0|2,0,0]=4 10063 B10R0.6 COCCNC(=O)C[S+](C)C 1626a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 10064 B10R0.6 COCCNC(=O)C[S+](C)C 240690a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 10065 B10R0.6 COCCNC(=O)C[S+](C)C 527a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 10066 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,2,0,0,0,0|2,0,0]=4 10067 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,2,0,0,0,0|2,0,0]=4 10068 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|2,0,0]=4 10069 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|2,0,0]=4 10070 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,2,0,0,0,0|2,0,0]=4 10071 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,2,0,0,0,0|2,0,0]=4 10072 B10R0.6 COCNCC(=O)NC(C)C 2230a_100000168517_100000766300 [0,2,0,0,0,0|2,0,0]=4 10073 B10R0.6 COCSCC(=O)NC(C)C 62a_100000183996_100000766300 [0,2,0,0,0,0|2,0,0]=4 10074 B10R0.6 COCSCC(=O)NC(C)C 62a_100000766300_100000183996 [0,2,0,0,0,0|2,0,0]=4 10075 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,2,0,0,0,0|2,0,0]=4 10076 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,2,0,0,0,0|2,0,0]=4 10077 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|1,0,1]=4 10078 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|1,0,1]=4 10079 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|1,0,0]=3 10080 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|1,0,0]=3 10081 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [0,2,0,0,0,0|1,0,0]=3 10082 B10R0.6 CSCCCC(=O)C[N+](=O)[O-] 1458a_100000173376_100000761209 [0,2,0,0,0,0|2,0,0]=4 10083 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 10084 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 10085 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 10086 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 10087 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 10088 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 10089 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 10090 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 10091 B10R0.6 CSCCNC(=O)CN(C)C 11a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 10092 B10R0.6 CSCCNC(=O)CN(C)C 240690a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 10093 B10R0.6 CSCCNC(=O)CN(C)C 527a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 10094 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,2,0,0,0,0|2,0,0]=4 10095 B10R0.6 CSCCNC(=O)C[S+](C)C 11a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 10096 B10R0.6 CSCCNC(=O)C[S+](C)C 1626a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 10097 B10R0.6 CSCCNC(=O)C[S+](C)C 240690a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 10098 B10R0.6 CSCCNC(=O)C[S+](C)C 527a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 10099 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,2,0,0,0,0|2,0,0]=4 10100 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 10101 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 10102 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,2,0,0,0,0|2,0,0]=4 10103 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 10104 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|2,0,0]=4 10105 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|2,0,0]=4 10106 B10R0.6 CSCNCC(=O)NC(C)C 2230a_100000168517_100011218213 [0,2,0,0,0,0|2,0,0]=4 10107 B10R0.6 CSCSCC(=O)NC(C)C 62a_100000183996_100011218213 [0,2,0,0,0,0|2,0,0]=4 10108 B10R0.6 CSCSCC(=O)NC(C)C 62a_100011218213_100000183996 [0,2,0,0,0,0|2,0,0]=4 10109 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,2,0,0,0,0|2,0,0]=4 10110 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,2,0,0,0,0|2,0,0]=4 10111 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,2,0,0,0,0|1,0,1]=4 10112 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|1,0,0]=3 10113 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|1,0,0]=3 10114 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,2,0,0,0,0|2,0,0]=4 10115 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,2,0,0,0,0|2,0,0]=4 10116 B10R0.6 C[S+](C)CC(=O)CCCC#N 1458a_200159257847_100000211468 [0,2,0,0,0,0|1,0,1]=4 10117 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,2,0,0,0,0|1,0,0]=3 10118 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,2,0,0,0,0|1,0,0]=3 10119 B10R0.6 C[S+](C)CC(=O)NCCCF 11a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 10120 B10R0.6 C[S+](C)CC(=O)NCCCF 1626a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 10121 B10R0.6 C[S+](C)CC(=O)NCCCF 240690a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 10122 B10R0.6 C[S+](C)CC(=O)NCCCF 527a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 10123 B10R0.6 C[S+](C)CC(=O)NCCCO 240690a_100000182051_200159257847 [0,2,0,0,0,0|2,0,0]=4 10124 B10R0.6 C[S+](C)CC(=O)NCCCO 527a_100000182051_200159257847 [0,2,0,0,0,0|2,0,0]=4 10125 B10R0.6 N#CCCCC(=O)CC(F)F 1458a_100000075515_100011934356 [0,2,0,0,0,0|1,0,1]=4 10126 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|1,0,1]=4 10127 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|1,0,1]=4 10128 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|1,0,1]=4 10129 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [0,2,0,0,0,0|1,0,0]=3 10130 B10R0.6 O=C(CCCCO)C[N+](=O)[O-] 1458a_100000695505_100000761209 [0,2,0,0,0,0|2,0,0]=4 10131 B10R0.6 O=C(COCCO)CC(F)F 1458a_100000708028_100011934356 [0,2,0,0,0,0|2,0,0]=4 10132 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|1,0,1]=4 10133 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [0,2,0,0,0,0|0,0,1]=3 10134 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [0,2,0,0,0,0|0,0,1]=3 10135 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [0,2,0,0,0,0|0,0,1]=3 10136 B10R0.19 C#CCC(=O)C(O)CCSC 1458a_100000685904_100000184674 [0,2,0,0,0,0|1,0,1]=4 10137 B10R0.19 C#CCC(=O)N(C)CCCC 1626a_100000207549_100011220946 [0,2,0,0,0,0|1,0,1]=4 10138 B10R0.19 C#CCC(=O)N(C)CCCC 527a_100000207549_100011220946 [0,2,0,0,0,0|1,0,1]=4 10139 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,2,0,0,0,0|1,0,1]=4 10140 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,2,0,0,0,0|1,0,1]=4 10141 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,2,0,0,0,0|1,0,1]=4 10142 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|0,0,1]=3 10143 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|0,0,1]=3 10144 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|0,0,1]=3 10145 B10R0.19 C=CCC(=O)C(O)CCSC 1458a_100000685904_100000210623 [0,2,0,0,0,0|1,0,1]=4 10146 B10R0.19 C=CCC(=O)N(C)CCCC 11a_100000207549_100000210193 [0,2,0,0,0,0|1,0,1]=4 10147 B10R0.19 C=CCC(=O)N(C)CCCC 1626a_100000207549_100000210193 [0,2,0,0,0,0|1,0,1]=4 10148 B10R0.19 C=CCC(=O)N(C)CCCC 240690a_100000207549_100000210193 [0,2,0,0,0,0|1,0,1]=4 10149 B10R0.19 C=CCC(=O)N(C)CCCC 527a_100000207549_100000210193 [0,2,0,0,0,0|1,0,1]=4 10150 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|0,0,1]=3 10151 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|1,0,1]=4 10152 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|0,0,1]=3 10153 B10R0.19 CC=CC(=O)N(C)CCCC 11a_100000207549_100000210699 [0,2,0,0,0,0|1,0,1]=4 10154 B10R0.19 CC=CC(=O)N(C)CCCC 1626a_100000207549_100000210699 [0,2,0,0,0,0|1,0,1]=4 10155 B10R0.19 CC=CC(=O)N(C)CCCC 240690a_100000207549_100000210699 [0,2,0,0,0,0|1,0,1]=4 10156 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,2,0,0,0,0|0,0,2]=4 10157 B10R0.19 CCC/C=C(\C)/C(=O)CCF 1458a_200020648666_100011217306 [0,2,0,0,0,0|0,0,2]=4 10158 B10R0.19 CCC/C=C(\C)/C(=O)CCO 1458a_200020648666_100000211926 [0,2,0,0,0,0|0,0,2]=4 10159 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,2,0,0,0,0|0,0,2]=4 10160 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,2,0,0,0,0|0,0,2]=4 10161 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,2,0,0,0,0|1,0,0]=3 10162 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [0,2,0,0,0,0|2,0,0]=4 10163 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [0,2,0,0,0,0|2,0,0]=4 10164 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [0,2,0,0,0,0|2,0,0]=4 10165 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [0,2,0,0,0,0|2,0,0]=4 10166 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [0,2,0,0,0,0|2,0,0]=4 10167 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [0,2,0,0,0,0|2,0,0]=4 10168 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 10169 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 10170 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 10171 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 10172 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|0,0,1]=3 10173 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,2,0,0,0,0|0,0,2]=4 10174 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,2,0,0,0,0|0,0,2]=4 10175 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,2,0,0,0,0|0,0,2]=4 10176 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [0,2,0,0,0,0|0,0,1]=3 10177 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [0,2,0,0,0,0|0,0,1]=3 10178 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|0,0,0]=2 10179 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|0,0,0]=2 10180 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|0,0,0]=2 10181 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|0,0,0]=2 10182 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|0,0,0]=2 10183 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|0,0,0]=2 10184 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|0,0,0]=2 10185 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|0,0,0]=2 10186 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|0,0,0]=2 10187 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|0,0,0]=2 10188 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|1,0,0]=3 10189 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [0,2,0,0,0,0|2,0,0]=4 10190 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [0,2,0,0,0,0|2,0,0]=4 10191 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [0,2,0,0,0,0|2,0,0]=4 10192 B10R0.19 CCCCC(C)N(C)CCO 2230a_100000210263_200011215066 [0,2,0,0,0,0|2,0,0]=4 10193 B10R0.19 CCCCC(C)N(C)CCO 269982a_100000210263_200011215066 [0,2,0,0,0,0|2,0,0]=4 10194 B10R0.19 CCCCC(C)N(C)CCO 270004a_100000210263_100000210087 [0,2,0,0,0,0|2,0,0]=4 10195 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [0,2,0,0,0,0|0,0,1]=3 10196 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|0,0,0]=2 10197 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|0,0,0]=2 10198 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|0,0,0]=2 10199 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|0,0,0]=2 10200 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|0,0,0]=2 10201 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,2,0,0,0,0|1,0,0]=3 10202 B10R0.19 CCCCN(C)C(=O)CC#N 1626a_100000207549_100051588842 [0,2,0,0,0,0|1,0,1]=4 10203 B10R0.19 CCCCN(C)C(=O)CC#N 240690a_100000207549_100051588842 [0,2,0,0,0,0|1,0,1]=4 10204 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,2,0,0,0,0|1,0,0]=3 10205 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,2,0,0,0,0|1,0,0]=3 10206 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,2,0,0,0,0|1,0,0]=3 10207 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,2,0,0,0,0|1,0,0]=3 10208 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,2,0,0,0,0|1,0,0]=3 10209 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,2,0,0,0,0|1,0,0]=3 10210 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,2,0,0,0,0|1,0,0]=3 10211 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,2,0,0,0,0|1,0,0]=3 10212 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 10213 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 10214 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 10215 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|1,0,0]=3 10216 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 10217 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,2,0,0,0,0|1,0,0]=3 10218 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,2,0,0,0,0|1,0,0]=3 10219 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,2,0,0,0,0|1,0,0]=3 10220 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,2,0,0,0,0|1,0,0]=3 10221 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,2,0,0,0,0|1,0,0]=3 10222 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,2,0,0,0,0|1,0,0]=3 10223 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,2,0,0,0,0|1,0,0]=3 10224 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,2,0,0,0,0|1,0,0]=3 10225 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,2,0,0,0,0|1,0,0]=3 10226 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,2,0,0,0,0|1,0,0]=3 10227 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,2,0,0,0,0|1,0,1]=4 10228 B10R0.19 CCCNC(=O)C(=O)CCF 1458a_200011297150_100011217306 [0,2,0,0,0,0|1,0,1]=4 10229 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,2,0,0,0,0|1,0,1]=4 10230 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 10231 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,2,0,0,0,0|1,0,1]=4 10232 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 10233 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,2,0,0,0,0|1,0,1]=4 10234 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 10235 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 10236 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 10237 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 10238 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,2,0,0,0,0|1,0,0]=3 10239 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,2,0,0,0,0|1,0,0]=3 10240 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,2,0,0,0,0|1,0,0]=3 10241 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,2,0,0,0,0|1,0,0]=3 10242 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|1,0,0]=3 10243 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|1,0,0]=3 10244 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|1,0,0]=3 10245 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,2,0,0,0,0|1,0,0]=3 10246 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,2,0,0,0,0|1,0,0]=3 10247 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|1,0,0]=3 10248 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|1,0,0]=3 10249 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|1,0,0]=3 10250 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|1,0,0]=3 10251 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,2,0,0,0,0|1,0,1]=4 10252 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,2,0,0,0,0|1,0,1]=4 10253 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,2,0,0,0,0|1,0,1]=4 10254 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,2,0,0,0,0|1,0,1]=4 10255 B10R0.19 CCNC(=O)C(C)NCCF 2230a_100000736553_100011217306 [0,2,0,0,0,0|2,0,0]=4 10256 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000724931_100000230173 [0,2,0,0,0,0|2,0,0]=4 10257 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000736553_100011217306 [0,2,0,0,0,0|2,0,0]=4 10258 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100000736553_100000211926 [0,2,0,0,0,0|2,0,0]=4 10259 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100016997473_100000230173 [0,2,0,0,0,0|2,0,0]=4 10260 B10R0.19 CCNC(=O)C(C)NCCO 34a_100000736553_100000211926 [0,2,0,0,0,0|2,0,0]=4 10261 B10R0.19 CCNC(=O)C(C)NCCO 34a_100016990907_100000230173 [0,2,0,0,0,0|2,0,0]=4 10262 B10R0.19 CCNC(=O)C(C)NCOC 2230a_100000736553_100000766300 [0,2,0,0,0,0|2,0,0]=4 10263 B10R0.19 CCNC(=O)C(C)NCSC 2230a_100000736553_100011218213 [0,2,0,0,0,0|2,0,0]=4 10264 B10R0.19 CCNC(=O)C(C)NCSC 34a_100000736553_100011218213 [0,2,0,0,0,0|2,0,0]=4 10265 B10R0.19 CCNC(=O)C(C)OCCBr 34a_100000211926_100000230173 [0,2,0,0,0,0|2,0,0]=4 10266 B10R0.19 CCNC(=O)C(C)OCCN 34a_100000210304_100000230173 [0,2,0,0,0,0|2,0,0]=4 10267 B10R0.19 CCNC(=O)C(C)SCCF 62a_100000230173_100011217306 [0,2,0,0,0,0|2,0,0]=4 10268 B10R0.19 CCNC(=O)C(C)SCCF 62a_100011217306_100000230173 [0,2,0,0,0,0|2,0,0]=4 10269 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000211926_100000230173 [0,2,0,0,0,0|2,0,0]=4 10270 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000230173_100000211926 [0,2,0,0,0,0|2,0,0]=4 10271 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000230173_100000766300 [0,2,0,0,0,0|2,0,0]=4 10272 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000766300_100000230173 [0,2,0,0,0,0|2,0,0]=4 10273 B10R0.19 CCNC(=O)C(C)SCSC 62a_100000230173_100011218213 [0,2,0,0,0,0|2,0,0]=4 10274 B10R0.19 CCNC(=O)C(C)SCSC 62a_100011218213_100000230173 [0,2,0,0,0,0|2,0,0]=4 10275 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,2,0,0,0,0|1,0,0]=3 10276 B10R0.19 CCNC(=O)N(C)CCCO 2708a_100015525214_100000213112 [0,2,0,0,0,0|2,0,0]=4 10277 B10R0.19 CCNC(=O)N(C)CCCO 273464a_100015525214_100000213112 [0,2,0,0,0,0|2,0,0]=4 10278 B10R0.19 CCNC(=O)N(C)CCOC 2708a_100015525214_100000743101 [0,2,0,0,0,0|2,0,0]=4 10279 B10R0.19 CCNC(=O)N(C)CCOC 273464a_100015525214_100000743101 [0,2,0,0,0,0|2,0,0]=4 10280 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [0,2,0,0,0,0|2,0,0]=4 10281 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [0,2,0,0,0,0|2,0,0]=4 10282 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|1,0,1]=4 10283 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|1,0,1]=4 10284 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,2,0,0,0,0|2,0,0]=4 10285 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,2,0,0,0,0|2,0,0]=4 10286 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,2,0,0,0,0|2,0,0]=4 10287 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 10288 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,2,0,0,0,0|2,0,0]=4 10289 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,2,0,0,0,0|2,0,0]=4 10290 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,2,0,0,0,0|2,0,0]=4 10291 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 10292 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,2,0,0,0,0|2,0,0]=4 10293 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,2,0,0,0,0|2,0,0]=4 10294 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,2,0,0,0,0|2,0,0]=4 10295 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,2,0,0,0,0|2,0,0]=4 10296 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,2,0,0,0,0|2,0,0]=4 10297 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,2,0,0,0,0|2,0,0]=4 10298 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,2,0,0,0,0|2,0,0]=4 10299 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,2,0,0,0,0|2,0,0]=4 10300 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,2,0,0,0,0|2,0,0]=4 10301 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,2,0,0,0,0|2,0,0]=4 10302 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,2,0,0,0,0|2,0,0]=4 10303 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,2,0,0,0,0|2,0,0]=4 10304 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,2,0,0,0,0|2,0,0]=4 10305 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,2,0,0,0,0|2,0,0]=4 10306 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,2,0,0,0,0|2,0,0]=4 10307 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,2,0,0,0,0|2,0,0]=4 10308 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,2,0,0,0,0|2,0,0]=4 10309 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,2,0,0,0,0|2,0,0]=4 10310 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,2,0,0,0,0|2,0,0]=4 10311 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,2,0,0,0,0|2,0,0]=4 10312 B10R0.19 CCSC(=O)[C@H](C)NCCF 2230a_100103168634_100011217306 [0,2,0,0,0,0|2,0,0]=4 10313 B10R0.19 CCSC(=O)[C@H](C)NCCO 2230a_100103168634_100000211926 [0,2,0,0,0,0|2,0,0]=4 10314 B10R0.19 CCSC(=O)[C@H](C)NCOC 2230a_100103168634_100000766300 [0,2,0,0,0,0|2,0,0]=4 10315 B10R0.19 CCSC(=O)[C@H](C)NCSC 2230a_100103168634_100011218213 [0,2,0,0,0,0|2,0,0]=4 10316 B10R0.19 CN(CCCO)C(=O)CCO 240690a_100000213112_100011216618 [0,2,0,0,0,0|2,0,0]=4 10317 B10R0.19 CNNC(=O)C(O)CCSC 22a_100016993582_100000685904 [0,2,0,0,0,0|2,0,0]=4 10318 B10R0.19 COCC(=O)N(C)CCCO 240690a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 10319 B10R0.19 COCC(=O)N(C)CCCO 527a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 10320 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 10321 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 10322 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 10323 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 10324 B10R0.19 COCCN(C)C(=O)CCO 240690a_100000743101_100011216618 [0,2,0,0,0,0|2,0,0]=4 10325 B10R0.19 COCCN(C)C(=O)COC 11a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 10326 B10R0.19 COCCN(C)C(=O)COC 1626a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 10327 B10R0.19 COCCN(C)C(=O)COC 240690a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 10328 B10R0.19 COCCN(C)C(=O)COC 527a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 10329 B10R0.19 COCCN(C)C(=O)CSC 11a_100000743101_100000184570 [0,2,0,0,0,0|2,0,0]=4 10330 B10R0.19 COCCN(C)C(=O)CSC 1626a_100000743101_100000184570 [0,2,0,0,0,0|2,0,0]=4 10331 B10R0.19 COCCN(C)C(=O)CSC 240690a_100000743101_100000184570 [0,2,0,0,0,0|2,0,0]=4 10332 B10R0.19 COCCN(C)C(=O)CSC 527a_100000743101_100000184570 [0,2,0,0,0,0|2,0,0]=4 10333 B10R0.19 CSCC(=O)N(C)CCCO 240690a_100000213112_100000184570 [0,2,0,0,0,0|2,0,0]=4 10334 B10R0.19 CSCC(=O)N(C)CCCO 527a_100000213112_100000184570 [0,2,0,0,0,0|2,0,0]=4 10335 B10R0.19 CSCCC(O)C(=O)CC#N 1458a_100000685904_100011214920 [0,2,0,0,0,0|1,0,1]=4 10336 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [0,2,0,0,0,0|1,0,0]=3 10337 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|1,0,0]=3 10338 B10R0.19 CSCCN(C)C(=O)CCO 240690a_100000686725_100011216618 [0,2,0,0,0,0|2,0,0]=4 10339 B10R0.19 CSCCN(C)C(=O)CSC 11a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 10340 B10R0.19 CSCCN(C)C(=O)CSC 1626a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 10341 B10R0.19 CSCCN(C)C(=O)CSC 240690a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 10342 B10R0.19 CSCCN(C)C(=O)CSC 527a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 10343 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [0,2,0,0,0,0|1,0,1]=4 10344 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [0,2,0,0,0,0|1,0,1]=4 10345 B10R0.24 C#CCN(CC)CCCCC 2230a_100000744766_100000210326 [0,2,0,0,0,0|2,0,0]=4 10346 B10R0.24 C#CCN(CC)CCCCC 269982a_100000744766_100000210215 [0,2,0,0,0,0|2,0,0]=4 10347 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [0,2,0,0,0,0|1,0,1]=4 10348 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [0,2,0,0,0,0|1,0,1]=4 10349 B10R0.24 CCCCCC(CC)NCC 270004a_100015525214_100011215316 [0,2,0,0,0,0|1,0,1]=4 10350 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [0,2,0,0,0,0|0,0,2]=4 10351 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [0,2,0,0,0,0|0,0,2]=4 10352 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [0,2,0,0,0,0|0,0,2]=4 10353 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [0,2,0,0,0,0|0,0,2]=4 10354 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [0,2,0,0,0,0|1,0,1]=4 10355 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [0,2,0,0,0,0|0,0,2]=4 10356 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [0,2,0,0,0,0|0,0,2]=4 10357 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [0,2,0,0,0,0|0,0,2]=4 10358 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [0,2,0,0,0,0|0,0,2]=4 10359 B10R0.24 CCCCCN(CC)CCC 2230a_100000226822_100000210326 [0,2,0,0,0,0|2,0,0]=4 10360 B10R0.24 CCCCCN(CC)CCC 2230a_200000226819_100000210202 [0,2,0,0,0,0|2,0,0]=4 10361 B10R0.24 CCCCCN(CC)CCC 269982a_100000226822_100000210215 [0,2,0,0,0,0|2,0,0]=4 10362 B10R0.24 CCCCCN(CC)CCC 269982a_200000226819_100000204670 [0,2,0,0,0,0|2,0,0]=4 10363 B10R0.24 CCCCCN(CC)CCO 2230a_100000210973_100000210326 [0,2,0,0,0,0|1,0,1]=4 10364 B10R0.24 CCCCCN(CC)CCO 2230a_100000224656_100000210202 [0,2,0,0,0,0|1,0,1]=4 10365 B10R0.24 CCCCCN(CC)CCO 269982a_100000210973_100000210215 [0,2,0,0,0,0|1,0,1]=4 10366 B10R0.24 CCCCCN(CC)CCO 269982a_100000224656_100000204670 [0,2,0,0,0,0|1,0,1]=4 10367 B10R0.24 CCCCCN(CF)CCC 269982a_200000226819_100015361967 [0,2,0,0,0,0|2,0,0]=4 10368 B10R0.24 CCCCCN(CF)CCO 269982a_100000224656_100015361967 [0,2,0,0,0,0|2,0,0]=4 10369 B10R0.24 CCN(CC=O)CCCCO 2230a_100011217355_200015260668 [0,2,0,0,0,0|2,0,0]=4 10370 B10R0.24 CCN(CC=O)CCCCO 269982a_100011217355_200015260668 [0,2,0,0,0,0|2,0,0]=4 10371 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|0,0,2]=4 10372 B10R0.83 C#CC(C)C(=O)C#CCCC 1458a_200011218047_200000035995 [0,2,0,0,0,0|0,0,2]=4 10373 B10R0.83 C#CC(C)C(=O)C/C=C/CC 1458a_100016274230_200000035995 [0,2,0,0,0,0|0,0,2]=4 10374 B10R0.83 C#CC(C)C(=O)C=CCCC 1458a_100000212230_200000035995 [0,2,0,0,0,0|0,0,2]=4 10375 B10R0.83 C#CC(C)C(=O)CCCC#N 1458a_100000075515_200000035995 [0,2,0,0,0,0|1,0,1]=4 10376 B10R0.83 C#CC(C)C(=O)CCCC=C 1458a_100000766728_200000035995 [0,2,0,0,0,0|0,0,2]=4 10377 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,2,0,0,0,0|0,0,0]=2 10378 B10R0.83 C#CC(C)C(=O)CCCCO 1458a_100000695505_200000035995 [0,2,0,0,0,0|1,0,0]=3 10379 B10R0.83 C#CC(C)C(=O)CCCOC 1458a_100000741012_200000035995 [0,2,0,0,0,0|1,0,0]=3 10380 B10R0.83 C#CC(C)C(=O)CCCSC 1458a_100000173376_200000035995 [0,2,0,0,0,0|1,0,0]=3 10381 B10R0.83 C#CC(C)C(=O)CCOCC 1458a_100000749530_200000035995 [0,2,0,0,0,0|1,0,0]=3 10382 B10R0.83 C#CC(C)C(=O)CCSCC 1458a_100000230768_200000035995 [0,2,0,0,0,0|1,0,0]=3 10383 B10R0.83 C#CC(C)C(=O)COCCC 1458a_100000745993_200000035995 [0,2,0,0,0,0|1,0,0]=3 10384 B10R0.83 C#CC(C)C(=O)COCCO 1458a_100000708028_200000035995 [0,2,0,0,0,0|2,0,0]=4 10385 B10R0.83 C#CC(C)C(=O)CSCCC 1458a_100000217233_200000035995 [0,2,0,0,0,0|1,0,0]=3 10386 B10R0.83 C#CCCCC(=O)C(C)C#C 1458a_100000690238_200000035995 [0,2,0,0,0,0|0,0,2]=4 10387 B10R0.83 C#CCCCC(=O)C(C)C#N 1458a_100000690238_100000703298 [0,2,0,0,0,0|0,0,2]=4 10388 B10R0.83 C#CCCCC(=O)C(C)C#N 1458a_100000753662_100000731252 [0,2,0,0,0,0|0,0,2]=4 10389 B10R0.83 C#CCCCC(=O)C(C)C=C 1458a_100011216780_100000731252 [0,2,0,0,0,0|0,0,2]=4 10390 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [0,2,0,0,0,0|0,0,2]=4 10391 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [0,2,0,0,0,0|0,0,2]=4 10392 B10R0.83 C#CCCCC(=O)C(C)OC 1458a_100000743197_100000731252 [0,2,0,0,0,0|0,0,2]=4 10393 B10R0.83 C#CCCCC(=O)C(C)SC 1458a_100000149566_100000731252 [0,2,0,0,0,0|0,0,2]=4 10394 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,2,0,0,0,0|0,0,2]=4 10395 B10R0.83 C#CCCCC(=O)C(O)CO 1458a_100011215603_100000731252 [0,2,0,0,0,0|0,0,2]=4 10396 B10R0.83 C#CCCCC(=O)N(C)CC 11a_100000225621_100000690238 [0,2,0,0,0,0|0,0,2]=4 10397 B10R0.83 C#CCCCC(=O)N(C)CC 1626a_100000225621_100000690238 [0,2,0,0,0,0|0,0,2]=4 10398 B10R0.83 C#CCCCC(=O)N(C)CC 240690a_100000225621_100000690238 [0,2,0,0,0,0|0,0,2]=4 10399 B10R0.83 C#CCCCC(=O)N(C)CC 527a_100000225621_100000690238 [0,2,0,0,0,0|0,0,2]=4 10400 B10R0.83 C#CCCSC(C)C(=O)CC 62a_100000688953_100000742827 [0,2,0,0,0,0|0,0,2]=4 10401 B10R0.83 C#CCCSC(C)C(=O)CC 62a_100000742827_100000688953 [0,2,0,0,0,0|0,0,2]=4 10402 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|0,0,1]=3 10403 B10R0.83 C/C=C(\C)/C(=O)CCCCF 1458a_100020587367_100000729493 [0,2,0,0,0,0|1,0,1]=4 10404 B10R0.83 C/C=C(\C)/C(=O)CCCCO 1458a_100020587367_100000210776 [0,2,0,0,0,0|1,0,1]=4 10405 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [0,2,0,0,0,0|1,0,1]=4 10406 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [0,2,0,0,0,0|1,0,1]=4 10407 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,2,0,0,0,0|1,0,1]=4 10408 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,2,0,0,0,0|1,0,1]=4 10409 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,2,0,0,0,0|1,0,1]=4 10410 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,2,0,0,0,0|1,0,1]=4 10411 B10R0.83 C/C=C/CSC(C)C(=O)CC 62a_100000742827_100102629194 [0,2,0,0,0,0|0,0,2]=4 10412 B10R0.83 C/C=C/CSC(C)C(=O)CC 62a_100102629194_100000742827 [0,2,0,0,0,0|0,0,2]=4 10413 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|1,0,1]=4 10414 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|1,0,1]=4 10415 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|1,0,1]=4 10416 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|0,0,2]=4 10417 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,2,0,0,0,0|0,0,2]=4 10418 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,2,0,0,0,0|0,0,2]=4 10419 B10R0.83 C=CC(C)C(=O)C/C=C\CC 1458a_100011216780_100103147603 [0,2,0,0,0,0|0,0,2]=4 10420 B10R0.83 C=CC(C)C(=O)CC#CCC 1458a_100011216780_100009813939 [0,2,0,0,0,0|0,0,2]=4 10421 B10R0.83 C=CC(C)C(=O)CCCC#N 1458a_100011216780_100000211468 [0,2,0,0,0,0|1,0,1]=4 10422 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|0,0,0]=2 10423 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [0,2,0,0,0,0|1,0,0]=3 10424 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,2,0,0,0,0|1,0,0]=3 10425 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|1,0,0]=3 10426 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,2,0,0,0,0|1,0,0]=3 10427 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [0,2,0,0,0,0|1,0,0]=3 10428 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,2,0,0,0,0|1,0,0]=3 10429 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,2,0,0,0,0|1,0,0]=3 10430 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,2,0,0,0,0|1,0,0]=3 10431 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,2,0,0,0,0|1,0,0]=3 10432 B10R0.83 C=CC(C)C(=O)NCCCF 11a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 10433 B10R0.83 C=CC(C)C(=O)NCCCF 1626a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 10434 B10R0.83 C=CC(C)C(=O)NCCCF 240690a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 10435 B10R0.83 C=CC(C)C(=O)NCCCF 527a_100015189416_100011216780 [0,2,0,0,0,0|2,0,0]=4 10436 B10R0.83 C=CC(C)C(=O)NCCCO 240690a_100000182051_100011216780 [0,2,0,0,0,0|2,0,0]=4 10437 B10R0.83 C=CC(C)C(=O)NCCCO 527a_100000182051_100011216780 [0,2,0,0,0,0|2,0,0]=4 10438 B10R0.83 C=CC(C)C(=O)NCCOC 1626a_100000209980_100011216780 [0,2,0,0,0,0|2,0,0]=4 10439 B10R0.83 C=CC(C)C(=O)NCCOC 240690a_100000209980_100011216780 [0,2,0,0,0,0|2,0,0]=4 10440 B10R0.83 C=CC(C)C(=O)NCCOC 527a_100000209980_100011216780 [0,2,0,0,0,0|2,0,0]=4 10441 B10R0.83 C=CC(C)C(=O)NCCSC 11a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 10442 B10R0.83 C=CC(C)C(=O)NCCSC 1626a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 10443 B10R0.83 C=CC(C)C(=O)NCCSC 240690a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 10444 B10R0.83 C=CC(C)C(=O)NCCSC 527a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 10445 B10R0.83 C=CC(C)C(=O)NNCCC 22a_100000740057_100011216780 [0,2,0,0,0,0|2,0,0]=4 10446 B10R0.83 C=CC(C)N(C)CCCCC 269982a_100000223495_100011215867 [0,2,0,0,0,0|2,0,0]=4 10447 B10R0.83 C=CCCCC(=O)C(C)C#N 1458a_100000753662_100000757094 [0,2,0,0,0,0|0,0,2]=4 10448 B10R0.83 C=CCCCC(=O)C(C)C#N 1458a_100000766728_100000703298 [0,2,0,0,0,0|0,0,2]=4 10449 B10R0.83 C=CCCCC(=O)C(C)C=C 1458a_100011216780_100000757094 [0,2,0,0,0,0|0,0,2]=4 10450 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [0,2,0,0,0,0|0,0,2]=4 10451 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [0,2,0,0,0,0|0,0,2]=4 10452 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,2,0,0,0,0|0,0,2]=4 10453 B10R0.83 C=CCCCC(=O)C(C)SC 1458a_100000149566_100000757094 [0,2,0,0,0,0|0,0,2]=4 10454 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,2,0,0,0,0|0,0,2]=4 10455 B10R0.83 C=CCCCC(=O)C(O)CO 1458a_100011215603_100000757094 [0,2,0,0,0,0|0,0,2]=4 10456 B10R0.83 C=CCCCC(=O)N(C)CC 11a_100000225621_100000766728 [0,2,0,0,0,0|0,0,2]=4 10457 B10R0.83 C=CCCCC(=O)N(C)CC 1626a_100000225621_100000766728 [0,2,0,0,0,0|0,0,2]=4 10458 B10R0.83 C=CCCCC(=O)N(C)CC 240690a_100000225621_100000766728 [0,2,0,0,0,0|0,0,2]=4 10459 B10R0.83 C=CCCCC(=O)N(C)CC 527a_100000225621_100000766728 [0,2,0,0,0,0|0,0,2]=4 10460 B10R0.83 C=CCCNC(C)C(=O)CC 2230a_100015191253_100000742827 [0,2,0,0,0,0|0,0,2]=4 10461 B10R0.83 C=CCCSC(C)C(=O)CC 62a_100000742827_100000754431 [0,2,0,0,0,0|0,0,2]=4 10462 B10R0.83 C=CCCSC(C)C(=O)CC 62a_100000754431_100000742827 [0,2,0,0,0,0|0,0,2]=4 10463 B10R0.83 CC#CCNC(C)C(=O)CC 2230a_100000685387_100000742827 [0,2,0,0,0,0|0,0,2]=4 10464 B10R0.83 CC#CCSC(C)C(=O)CC 62a_100000742827_100000748600 [0,2,0,0,0,0|0,0,2]=4 10465 B10R0.83 CC#CCSC(C)C(=O)CC 62a_100000748600_100000742827 [0,2,0,0,0,0|0,0,2]=4 10466 B10R0.83 CC(C#N)C(=O)CCCC#N 1458a_100000075515_100000703298 [0,2,0,0,0,0|1,0,1]=4 10467 B10R0.83 CC(C#N)C(=O)CCCC#N 1458a_100000753662_100000211468 [0,2,0,0,0,0|1,0,1]=4 10468 B10R0.83 CC(C#N)C(=O)CCCCF 1458a_100000753662_100000729493 [0,2,0,0,0,0|1,0,0]=3 10469 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000695505_100000703298 [0,2,0,0,0,0|1,0,0]=3 10470 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000753662_100000210776 [0,2,0,0,0,0|1,0,0]=3 10471 B10R0.83 CC(C#N)C(=O)COCCO 1458a_100000708028_100000703298 [0,2,0,0,0,0|2,0,0]=4 10472 B10R0.83 CC(C#N)C(=O)NCCCF 11a_100015189416_100000753662 [0,2,0,0,0,0|2,0,0]=4 10473 B10R0.83 CC(C#N)C(=O)NCCCF 1626a_100015189416_100000753662 [0,2,0,0,0,0|2,0,0]=4 10474 B10R0.83 CC(C#N)C(=O)NCCCF 240690a_100015189416_100000753662 [0,2,0,0,0,0|2,0,0]=4 10475 B10R0.83 CC(C#N)C(=O)NCCCF 527a_100015189416_100000753662 [0,2,0,0,0,0|2,0,0]=4 10476 B10R0.83 CC(C#N)C(=O)NCCCO 240690a_100000182051_100000753662 [0,2,0,0,0,0|2,0,0]=4 10477 B10R0.83 CC(C#N)C(=O)NCCCO 527a_100000182051_100000753662 [0,2,0,0,0,0|2,0,0]=4 10478 B10R0.83 CC/C=C/CC(=O)C(C)C#N 1458a_100016274230_100000703298 [0,2,0,0,0,0|0,0,2]=4 10479 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [0,2,0,0,0,0|0,0,2]=4 10480 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [0,2,0,0,0,0|0,0,2]=4 10481 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [0,2,0,0,0,0|0,0,2]=4 10482 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [0,2,0,0,0,0|0,0,2]=4 10483 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [0,2,0,0,0,0|0,0,2]=4 10484 B10R0.83 CC/C=C\CC(=O)C(C)C#N 1458a_100000753662_100103147603 [0,2,0,0,0,0|0,0,2]=4 10485 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [0,2,0,0,0,0|0,0,2]=4 10486 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [0,2,0,0,0,0|0,0,2]=4 10487 B10R0.83 CC/C=C\CC(=O)C(C)SC 1458a_100000149566_100103147603 [0,2,0,0,0,0|0,0,2]=4 10488 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,2,0,0,0,0|0,0,2]=4 10489 B10R0.83 CC/C=C\CC(=O)C(O)CO 1458a_100011215603_100103147603 [0,2,0,0,0,0|0,0,2]=4 10490 B10R0.83 CC=CCSC(C)C(=O)CC 62a_100000070051_100000742827 [0,2,0,0,0,0|0,0,2]=4 10491 B10R0.83 CC=CCSC(C)C(=O)CC 62a_100000742827_100000070051 [0,2,0,0,0,0|0,0,2]=4 10492 B10R0.83 CCC#CCC(=O)C(C)C#N 1458a_100000753662_100009813939 [0,2,0,0,0,0|0,0,2]=4 10493 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [0,2,0,0,0,0|0,0,2]=4 10494 B10R0.83 CCC#CCC(=O)C(C)OC 1458a_100000743197_100009813939 [0,2,0,0,0,0|0,0,2]=4 10495 B10R0.83 CCC#CCC(=O)C(C)SC 1458a_100000149566_100009813939 [0,2,0,0,0,0|0,0,2]=4 10496 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [0,2,0,0,0,0|0,0,2]=4 10497 B10R0.83 CCC#CCC(=O)C(O)CO 1458a_100011215603_100009813939 [0,2,0,0,0,0|0,0,2]=4 10498 B10R0.83 CCC(=O)C(C)NCCCF 2230a_100015189416_100000742827 [0,2,0,0,0,0|1,0,0]=3 10499 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [0,2,0,0,0,0|1,0,0]=3 10500 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,2,0,0,0,0|1,0,0]=3 10501 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,2,0,0,0,0|1,0,0]=3 10502 B10R0.83 CCC(=O)C(C)SCCC#N 62a_100000742827_100011215226 [0,2,0,0,0,0|1,0,1]=4 10503 B10R0.83 CCC(=O)C(C)SCCC#N 62a_100011215226_100000742827 [0,2,0,0,0,0|1,0,1]=4 10504 B10R0.83 CCC(=O)C(C)SCCCF 62a_100000742827_100011934791 [0,2,0,0,0,0|1,0,0]=3 10505 B10R0.83 CCC(=O)C(C)SCCCF 62a_100011934791_100000742827 [0,2,0,0,0,0|1,0,0]=3 10506 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,2,0,0,0,0|1,0,0]=3 10507 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,2,0,0,0,0|1,0,0]=3 10508 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [0,2,0,0,0,0|1,0,0]=3 10509 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [0,2,0,0,0,0|1,0,0]=3 10510 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,2,0,0,0,0|1,0,0]=3 10511 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,2,0,0,0,0|1,0,0]=3 10512 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,2,0,0,0,0|1,0,0]=3 10513 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,2,0,0,0,0|1,0,0]=3 10514 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,2,0,0,0,0|1,0,0]=3 10515 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,2,0,0,0,0|1,0,0]=3 10516 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,2,0,0,0,0|1,0,0]=3 10517 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [0,2,0,0,0,0|1,0,1]=4 10518 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [0,2,0,0,0,0|1,0,1]=4 10519 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|1,0,0]=3 10520 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|1,0,0]=3 10521 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|1,0,0]=3 10522 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|1,0,0]=3 10523 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|1,0,0]=3 10524 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|1,0,0]=3 10525 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [0,2,0,0,0,0|2,0,0]=4 10526 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [0,2,0,0,0,0|2,0,0]=4 10527 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [0,2,0,0,0,0|2,0,0]=4 10528 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [0,2,0,0,0,0|2,0,0]=4 10529 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [0,2,0,0,0,0|2,0,0]=4 10530 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,2,0,0,0,0|2,0,0]=4 10531 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,2,0,0,0,0|2,0,0]=4 10532 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,2,0,0,0,0|2,0,0]=4 10533 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,2,0,0,0,0|2,0,0]=4 10534 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,2,0,0,0,0|2,0,0]=4 10535 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,2,0,0,0,0|2,0,0]=4 10536 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,2,0,0,0,0|2,0,0]=4 10537 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,2,0,0,0,0|2,0,0]=4 10538 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,2,0,0,0,0|2,0,0]=4 10539 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,2,0,0,0,0|1,0,1]=4 10540 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|1,0,0]=3 10541 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|1,0,0]=3 10542 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|1,0,0]=3 10543 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,2,0,0,0,0|2,0,0]=4 10544 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,2,0,0,0,0|2,0,0]=4 10545 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,2,0,0,0,0|2,0,0]=4 10546 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|2,0,0]=4 10547 B10R0.83 CCCC#CC(=O)C(C)C#N 1458a_200011218047_100000703298 [0,2,0,0,0,0|0,0,2]=4 10548 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [0,2,0,0,0,0|0,0,2]=4 10549 B10R0.83 CCCC#CC(=O)N(C)CC 240690a_100000225621_200011218047 [0,2,0,0,0,0|0,0,2]=4 10550 B10R0.83 CCCC=CC(=O)C(C)C#N 1458a_100000212230_100000703298 [0,2,0,0,0,0|0,0,2]=4 10551 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,2,0,0,0,0|0,0,2]=4 10552 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [0,2,0,0,0,0|0,0,2]=4 10553 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [0,2,0,0,0,0|0,0,2]=4 10554 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [0,2,0,0,0,0|0,0,2]=4 10555 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|0,0,1]=3 10556 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,2,0,0,0,0|0,0,0]=2 10557 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,2,0,0,0,0|0,0,0]=2 10558 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|0,0,0]=2 10559 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|0,0,0]=2 10560 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|0,0,0]=2 10561 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|0,0,0]=2 10562 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|0,0,0]=2 10563 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|0,0,0]=2 10564 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|0,0,0]=2 10565 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|0,0,0]=2 10566 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|0,0,0]=2 10567 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|0,0,0]=2 10568 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|0,0,0]=2 10569 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|0,0,0]=2 10570 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,0]=3 10571 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|1,0,0]=3 10572 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|1,0,0]=3 10573 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 10574 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 10575 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 10576 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,2,0,0,0,0|1,0,1]=4 10577 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,2,0,0,0,0|1,0,1]=4 10578 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|0,0,0]=2 10579 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|0,0,0]=2 10580 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|0,0,0]=2 10581 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|0,0,0]=2 10582 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 10583 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 10584 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|1,0,0]=3 10585 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|1,0,0]=3 10586 B10R0.83 CCCCCN(C)C(C)C#N 2230a_100000223495_100000184139 [0,2,0,0,0,0|2,0,0]=4 10587 B10R0.83 CCCCCN(C)C(C)C#N 269982a_100000223495_100000703298 [0,2,0,0,0,0|2,0,0]=4 10588 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [0,2,0,0,0,0|1,0,1]=4 10589 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [0,2,0,0,0,0|1,0,1]=4 10590 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [0,2,0,0,0,0|1,0,1]=4 10591 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [0,2,0,0,0,0|1,0,1]=4 10592 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,2,0,0,0,0|2,0,0]=4 10593 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,2,0,0,0,0|2,0,0]=4 10594 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,2,0,0,0,0|2,0,0]=4 10595 B10R0.83 CCCCCN(C)C(C)OC 269982a_100000223495_100009879195 [0,2,0,0,0,0|2,0,0]=4 10596 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,2,0,0,0,0|2,0,0]=4 10597 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 10598 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 10599 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 10600 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 10601 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 10602 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 10603 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 10604 B10R0.83 CCCCNC(=O)C(C)C#N 11a_100000102301_100000753662 [0,2,0,0,0,0|1,0,0]=3 10605 B10R0.83 CCCCNC(=O)C(C)C#N 1626a_100000102301_100000753662 [0,2,0,0,0,0|1,0,0]=3 10606 B10R0.83 CCCCNC(=O)C(C)C#N 240690a_100000102301_100000753662 [0,2,0,0,0,0|1,0,0]=3 10607 B10R0.83 CCCCNC(=O)C(C)C#N 527a_100000102301_100000753662 [0,2,0,0,0,0|1,0,0]=3 10608 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 10609 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 10610 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 10611 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 10612 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,2,0,0,0,0|1,0,0]=3 10613 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,2,0,0,0,0|1,0,0]=3 10614 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,2,0,0,0,0|1,0,0]=3 10615 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 10616 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 10617 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 10618 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|1,0,0]=3 10619 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 10620 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,2,0,0,0,0|1,0,0]=3 10621 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,2,0,0,0,0|1,0,0]=3 10622 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,2,0,0,0,0|1,0,0]=3 10623 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,2,0,0,0,0|1,0,0]=3 10624 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,2,0,0,0,0|1,0,0]=3 10625 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,2,0,0,0,0|1,0,0]=3 10626 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,2,0,0,0,0|1,0,0]=3 10627 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,2,0,0,0,0|1,0,0]=3 10628 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|1,0,0]=3 10629 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|1,0,0]=3 10630 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,2,0,0,0,0|1,0,0]=3 10631 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,2,0,0,0,0|1,0,0]=3 10632 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|0,0,0]=2 10633 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|0,0,0]=2 10634 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|1,0,0]=3 10635 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|1,0,0]=3 10636 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|1,0,0]=3 10637 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|1,0,0]=3 10638 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [0,2,0,0,0,0|1,0,1]=4 10639 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [0,2,0,0,0,0|1,0,1]=4 10640 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|1,0,0]=3 10641 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|1,0,0]=3 10642 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|1,0,0]=3 10643 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|1,0,0]=3 10644 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,2,0,0,0,0|1,0,0]=3 10645 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,2,0,0,0,0|1,0,0]=3 10646 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,2,0,0,0,0|1,0,0]=3 10647 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|1,0,0]=3 10648 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|1,0,0]=3 10649 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|1,0,0]=3 10650 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|1,0,0]=3 10651 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|1,0,0]=3 10652 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,2,0,0,0,0|1,0,0]=3 10653 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,2,0,0,0,0|1,0,0]=3 10654 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,2,0,0,0,0|1,0,0]=3 10655 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,2,0,0,0,0|1,0,0]=3 10656 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|0,0,0]=2 10657 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|1,0,0]=3 10658 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|1,0,0]=3 10659 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,2,0,0,0,0|2,0,0]=4 10660 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 10661 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,0]=3 10662 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 10663 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,2,0,0,0,0|1,0,1]=4 10664 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|1,0,0]=3 10665 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|1,0,0]=3 10666 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|0,0,0]=2 10667 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|0,0,0]=2 10668 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|0,0,0]=2 10669 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|1,0,0]=3 10670 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|1,0,0]=3 10671 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 10672 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 10673 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 10674 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|1,0,0]=3 10675 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|1,0,0]=3 10676 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|1,0,0]=3 10677 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|1,0,0]=3 10678 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|1,0,0]=3 10679 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|1,0,0]=3 10680 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,2,0,0,0,0|2,0,0]=4 10681 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|1,0,0]=3 10682 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|1,0,0]=3 10683 B10R0.83 CCCNNC(=O)C(C)C#N 22a_100000740057_100000753662 [0,2,0,0,0,0|2,0,0]=4 10684 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [0,2,0,0,0,0|2,0,0]=4 10685 B10R0.83 CCCNNC(=O)C(C)OC 22a_100000740057_100000743197 [0,2,0,0,0,0|2,0,0]=4 10686 B10R0.83 CCCNNC(=O)C(C)SC 22a_100000740057_100000149566 [0,2,0,0,0,0|2,0,0]=4 10687 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,2,0,0,0,0|2,0,0]=4 10688 B10R0.83 CCCNNC(=O)C(O)CO 22a_100000740057_100011215603 [0,2,0,0,0,0|2,0,0]=4 10689 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 10690 B10R0.83 CCCOCC(=O)C(C)C#N 1458a_100000745993_100000703298 [0,2,0,0,0,0|1,0,0]=3 10691 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|1,0,0]=3 10692 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 10693 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 10694 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 10695 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,2,0,0,0,0|1,0,0]=3 10696 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 10697 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|1,0,0]=3 10698 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 10699 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 10700 B10R0.83 CCCOCC(C)N(C)CC 7a_100000732741_100000210303 [0,2,0,0,0,0|2,0,0]=4 10701 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|1,0,0]=3 10702 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,0,0,0,0|2,0,0]=4 10703 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|1,0,0]=3 10704 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 10705 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 10706 B10R0.83 CCCSCC(=O)C(C)C#N 1458a_100000217233_100000703298 [0,2,0,0,0,0|1,0,0]=3 10707 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|1,0,0]=3 10708 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,2,0,0,0,0|1,0,0]=3 10709 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,2,0,0,0,0|1,0,0]=3 10710 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,2,0,0,0,0|1,0,0]=3 10711 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,2,0,0,0,0|1,0,0]=3 10712 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,2,0,0,0,0|1,0,0]=3 10713 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,2,0,0,0,0|1,0,0]=3 10714 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,2,0,0,0,0|2,0,0]=4 10715 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,2,0,0,0,0|2,0,0]=4 10716 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|1,0,0]=3 10717 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|1,0,0]=3 10718 B10R0.83 CCN(C)C(=O)CCCC#N 11a_100000225621_100000075515 [0,2,0,0,0,0|1,0,1]=4 10719 B10R0.83 CCN(C)C(=O)CCCC#N 1626a_100000225621_100000075515 [0,2,0,0,0,0|1,0,1]=4 10720 B10R0.83 CCN(C)C(=O)CCCC#N 240690a_100000225621_100000075515 [0,2,0,0,0,0|1,0,1]=4 10721 B10R0.83 CCN(C)C(=O)CCCC#N 527a_100000225621_100000075515 [0,2,0,0,0,0|1,0,1]=4 10722 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|1,0,0]=3 10723 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|1,0,0]=3 10724 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|1,0,0]=3 10725 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|1,0,0]=3 10726 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|1,0,0]=3 10727 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 10728 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 10729 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 10730 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 10731 B10R0.83 CCN(C)C(=O)CNCCF 34a_100000724931_100000738999 [0,2,0,0,0,0|2,0,0]=4 10732 B10R0.83 CCN(C)C(=O)CNCCO 2230a_100016997473_100000738999 [0,2,0,0,0,0|2,0,0]=4 10733 B10R0.83 CCN(C)C(=O)CNCCO 34a_100016990907_100000738999 [0,2,0,0,0,0|2,0,0]=4 10734 B10R0.83 CCN(C)C(=O)COCCBr 34a_100000211926_100000738999 [0,2,0,0,0,0|2,0,0]=4 10735 B10R0.83 CCN(C)C(=O)COCCN 34a_100000210304_100000738999 [0,2,0,0,0,0|2,0,0]=4 10736 B10R0.83 CCN(C)C(=O)COCCO 1626a_100000225621_100000708028 [0,2,0,0,0,0|2,0,0]=4 10737 B10R0.83 CCN(C)C(=O)COCCO 240690a_100000225621_100000708028 [0,2,0,0,0,0|2,0,0]=4 10738 B10R0.83 CCN(C)C(=O)CSCCF 62a_100000738999_100011217306 [0,2,0,0,0,0|2,0,0]=4 10739 B10R0.83 CCN(C)C(=O)CSCCF 62a_100011217306_100000738999 [0,2,0,0,0,0|2,0,0]=4 10740 B10R0.83 CCN(C)C(=O)CSCCO 62a_100000211926_100000738999 [0,2,0,0,0,0|2,0,0]=4 10741 B10R0.83 CCN(C)C(=O)CSCCO 62a_100000738999_100000211926 [0,2,0,0,0,0|2,0,0]=4 10742 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000738999_100000766300 [0,2,0,0,0,0|2,0,0]=4 10743 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000766300_100000738999 [0,2,0,0,0,0|2,0,0]=4 10744 B10R0.83 CCN(C)C(=O)CSCSC 62a_100000738999_100011218213 [0,2,0,0,0,0|2,0,0]=4 10745 B10R0.83 CCN(C)C(=O)CSCSC 62a_100011218213_100000738999 [0,2,0,0,0,0|2,0,0]=4 10746 B10R0.83 CCN(C)C(=O)NCCCF 2708a_100015189416_100000225621 [0,2,0,0,0,0|2,0,0]=4 10747 B10R0.83 CCN(C)C(=O)NCCCF 273464a_100015189416_100000225621 [0,2,0,0,0,0|2,0,0]=4 10748 B10R0.83 CCN(C)C(=O)NCCCO 273464a_100000182051_100000225621 [0,2,0,0,0,0|2,0,0]=4 10749 B10R0.83 CCN(C)C(=O)NCCOC 273464a_100000209980_100000225621 [0,2,0,0,0,0|2,0,0]=4 10750 B10R0.83 CCN(C)C(=O)NCCSC 2708a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 10751 B10R0.83 CCN(C)C(=O)NCCSC 273464a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 10752 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|1,0,0]=3 10753 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,0,1]=4 10754 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000749530_100000703298 [0,2,0,0,0,0|1,0,0]=3 10755 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000753662_100011215890 [0,2,0,0,0,0|1,0,0]=3 10756 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|1,0,0]=3 10757 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|1,0,0]=3 10758 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|1,0,0]=3 10759 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,2,0,0,0,0|1,0,0]=3 10760 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|1,0,0]=3 10761 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|1,0,0]=3 10762 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 10763 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 10764 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 10765 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 10766 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|1,0,0]=3 10767 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [0,2,0,0,0,0|1,0,0]=3 10768 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [0,2,0,0,0,0|1,0,0]=3 10769 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000209862_100000739092 [0,2,0,0,0,0|2,0,0]=4 10770 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000739092_100000731044 [0,2,0,0,0,0|2,0,0]=4 10771 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,2,0,0,0,0|2,0,0]=4 10772 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,2,0,0,0,0|2,0,0]=4 10773 B10R0.83 CCOCSC(F)C(=O)NC 62a_100000739092_100009813575 [0,2,0,0,0,0|2,0,0]=4 10774 B10R0.83 CCOCSC(F)C(=O)NC 62a_100009813575_100000739092 [0,2,0,0,0,0|2,0,0]=4 10775 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,1]=4 10776 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000230768_100000703298 [0,2,0,0,0,0|1,0,0]=3 10777 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000753662_100000757381 [0,2,0,0,0,0|1,0,0]=3 10778 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|1,0,0]=3 10779 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|1,0,0]=3 10780 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|1,0,0]=3 10781 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,2,0,0,0,0|1,0,0]=3 10782 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|1,0,0]=3 10783 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|1,0,0]=3 10784 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 10785 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 10786 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 10787 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 10788 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|1,0,0]=3 10789 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|1,0,0]=3 10790 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|2,0,0]=4 10791 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|1,0,1]=4 10792 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|1,0,1]=4 10793 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,0,1]=4 10794 B10R0.83 CNC(=O)C(C)CNCCF 2230a_100015187722_100011217306 [0,2,0,0,0,0|2,0,0]=4 10795 B10R0.83 CNC(=O)C(C)CNCCF 34a_100015187722_100011217306 [0,2,0,0,0,0|2,0,0]=4 10796 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 10797 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 10798 B10R0.83 CNC(=O)C(C)CNCOC 2230a_100015187722_100000766300 [0,2,0,0,0,0|2,0,0]=4 10799 B10R0.83 CNC(=O)C(C)CNCSC 2230a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 10800 B10R0.83 CNC(=O)C(C)CNCSC 34a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 10801 B10R0.83 CNC(=O)C(C)NCCCF 2230a_100015189416_100000731044 [0,2,0,0,0,0|2,0,0]=4 10802 B10R0.83 CNC(=O)C(C)NCCCF 34a_100015189416_100000731044 [0,2,0,0,0,0|2,0,0]=4 10803 B10R0.83 CNC(=O)C(C)NCCOC 2230a_100000209980_100000731044 [0,2,0,0,0,0|2,0,0]=4 10804 B10R0.83 CNC(=O)C(C)NCCSC 2230a_100020590264_100000731044 [0,2,0,0,0,0|2,0,0]=4 10805 B10R0.83 CNC(=O)C(C)OCCCBr 34a_100011217188_100000731044 [0,2,0,0,0,0|2,0,0]=4 10806 B10R0.83 CNC(=O)C(C)OCCCCl 34a_100000230001_100000731044 [0,2,0,0,0,0|2,0,0]=4 10807 B10R0.83 CNC(=O)C(C)OCCCF 34a_100000759539_100000731044 [0,2,0,0,0,0|2,0,0]=4 10808 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,2,0,0,0,0|2,0,0]=4 10809 B10R0.83 CNC(=O)C(C)OCCOC 34a_100000210237_100000731044 [0,2,0,0,0,0|2,0,0]=4 10810 B10R0.83 CNC(=O)C(C)OCCSC 34a_100000230434_100000731044 [0,2,0,0,0,0|2,0,0]=4 10811 B10R0.83 CNC(=O)C(C)OCCSC 7a_100000230434_100000209862 [0,2,0,0,0,0|2,0,0]=4 10812 B10R0.83 CNC(=O)C(C)SCCCF 62a_100000209862_100011934791 [0,2,0,0,0,0|2,0,0]=4 10813 B10R0.83 CNC(=O)C(C)SCCCF 62a_100011934791_100000731044 [0,2,0,0,0,0|2,0,0]=4 10814 B10R0.83 CNC(=O)C(C)SCCCO 62a_100000209862_100011215043 [0,2,0,0,0,0|2,0,0]=4 10815 B10R0.83 CNC(=O)C(C)SCCCO 62a_100011215043_100000731044 [0,2,0,0,0,0|2,0,0]=4 10816 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000209862_100000233755 [0,2,0,0,0,0|2,0,0]=4 10817 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000233755_100000731044 [0,2,0,0,0,0|2,0,0]=4 10818 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000209862_100000751147 [0,2,0,0,0,0|2,0,0]=4 10819 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000212216_100000731044 [0,2,0,0,0,0|2,0,0]=4 10820 B10R0.83 CNC(=O)C(F)NCCCF 2230a_100015189416_100009813575 [0,2,0,0,0,0|2,0,0]=4 10821 B10R0.83 CNC(=O)C(F)NCCCF 34a_100015189416_100009813575 [0,2,0,0,0,0|2,0,0]=4 10822 B10R0.83 CNC(=O)C(F)NCCOC 2230a_100000209980_100009813575 [0,2,0,0,0,0|2,0,0]=4 10823 B10R0.83 CNC(=O)C(F)NCCSC 2230a_100020590264_100009813575 [0,2,0,0,0,0|2,0,0]=4 10824 B10R0.83 CNC(=O)C(F)OCCCBr 34a_100011217188_100009813575 [0,2,0,0,0,0|2,0,0]=4 10825 B10R0.83 CNC(=O)C(F)OCCCCl 34a_100000230001_100009813575 [0,2,0,0,0,0|2,0,0]=4 10826 B10R0.83 CNC(=O)C(F)OCCCF 34a_100000759539_100009813575 [0,2,0,0,0,0|2,0,0]=4 10827 B10R0.83 CNC(=O)C(F)OCCCN 34a_100000182051_100009813575 [0,2,0,0,0,0|2,0,0]=4 10828 B10R0.83 CNC(=O)C(F)OCCOC 34a_100000210237_100009813575 [0,2,0,0,0,0|2,0,0]=4 10829 B10R0.83 CNC(=O)C(F)OCCSC 34a_100000230434_100009813575 [0,2,0,0,0,0|2,0,0]=4 10830 B10R0.83 CNC(=O)C(F)OCCSC 7a_100000230434_100009813575 [0,2,0,0,0,0|2,0,0]=4 10831 B10R0.83 CNC(=O)C(F)SCCCF 62a_100009813575_100011934791 [0,2,0,0,0,0|2,0,0]=4 10832 B10R0.83 CNC(=O)C(F)SCCCF 62a_100011934791_100009813575 [0,2,0,0,0,0|2,0,0]=4 10833 B10R0.83 CNC(=O)C(F)SCCCO 62a_100009813575_100011215043 [0,2,0,0,0,0|2,0,0]=4 10834 B10R0.83 CNC(=O)C(F)SCCCO 62a_100011215043_100009813575 [0,2,0,0,0,0|2,0,0]=4 10835 B10R0.83 CNC(=O)C(F)SCCOC 62a_100000233755_100009813575 [0,2,0,0,0,0|2,0,0]=4 10836 B10R0.83 CNC(=O)C(F)SCCOC 62a_100009813575_100000233755 [0,2,0,0,0,0|2,0,0]=4 10837 B10R0.83 CNC(=O)C(F)SCCSC 62a_100000212216_100009813575 [0,2,0,0,0,0|2,0,0]=4 10838 B10R0.83 CNC(=O)C(F)SCCSC 62a_100009813575_100000751147 [0,2,0,0,0,0|2,0,0]=4 10839 B10R0.83 CNC(=O)N(C)CCCCO 2708a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 10840 B10R0.83 CNC(=O)N(C)CCCCO 273464a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 10841 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 10842 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 10843 B10R0.83 CNC(=O)[C@@H](C)NCCCF 2230a_100000684985_100011934791 [0,2,0,0,0,0|2,0,0]=4 10844 B10R0.83 CNC(=O)[C@@H](C)NCCCF 34a_100000684985_100011934791 [0,2,0,0,0,0|2,0,0]=4 10845 B10R0.83 CNC(=O)[C@@H](C)NCCCO 2230a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 10846 B10R0.83 CNC(=O)[C@@H](C)NCCCO 34a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 10847 B10R0.83 CNC(=O)[C@@H](C)NCCOC 2230a_100000684985_100011201679 [0,2,0,0,0,0|2,0,0]=4 10848 B10R0.83 CNC(=O)[C@@H](C)NCCOC 34a_100000684985_100011201679 [0,2,0,0,0,0|2,0,0]=4 10849 B10R0.83 CNC(=O)[C@@H](C)NCCSC 2230a_100000684985_100000751147 [0,2,0,0,0,0|2,0,0]=4 10850 B10R0.83 CNC(=O)[C@@H](C)NCCSC 34a_100000684985_100000212216 [0,2,0,0,0,0|2,0,0]=4 10851 B10R0.83 CNC(C)C(=O)NCCOC 2230a_106832991635_100000230274 [0,2,0,0,0,0|2,0,0]=4 10852 B10R0.83 CNC(C)C(=O)NCCOC 7a_106832991635_100000230274 [0,2,0,0,0,0|2,0,0]=4 10853 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,2,0,0,0,0|2,0,0]=4 10854 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|2,0,0]=4 10855 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|2,0,0]=4 10856 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|2,0,0]=4 10857 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|2,0,0]=4 10858 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 10859 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 10860 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 10861 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|2,0,0]=4 10862 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 10863 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 10864 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|2,0,0]=4 10865 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|2,0,0]=4 10866 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|2,0,0]=4 10867 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 10868 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|2,0,0]=4 10869 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|2,0,0]=4 10870 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|2,0,0]=4 10871 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 10872 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 10873 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|2,0,0]=4 10874 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|2,0,0]=4 10875 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|2,0,0]=4 10876 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|2,0,0]=4 10877 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|2,0,0]=4 10878 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|2,0,0]=4 10879 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|2,0,0]=4 10880 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 10881 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|2,0,0]=4 10882 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 10883 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|2,0,0]=4 10884 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|2,0,0]=4 10885 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|2,0,0]=4 10886 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|2,0,0]=4 10887 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|2,0,0]=4 10888 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|2,0,0]=4 10889 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|2,0,0]=4 10890 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|2,0,0]=4 10891 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|2,0,0]=4 10892 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|2,0,0]=4 10893 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|2,0,0]=4 10894 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|2,0,0]=4 10895 B10R0.83 COC(C)C(=O)CCCC#N 1458a_100000743197_100000211468 [0,2,0,0,0,0|1,0,1]=4 10896 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|1,0,0]=3 10897 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|1,0,0]=3 10898 B10R0.83 COC(C)C(=O)NCCCF 11a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 10899 B10R0.83 COC(C)C(=O)NCCCF 1626a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 10900 B10R0.83 COC(C)C(=O)NCCCF 240690a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 10901 B10R0.83 COC(C)C(=O)NCCCF 527a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 10902 B10R0.83 COC(C)C(=O)NCCCO 240690a_100000182051_100000743197 [0,2,0,0,0,0|2,0,0]=4 10903 B10R0.83 COC(C)C(=O)NCCCO 527a_100000182051_100000743197 [0,2,0,0,0,0|2,0,0]=4 10904 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 10905 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 10906 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 10907 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 10908 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000741012_100000703298 [0,2,0,0,0,0|1,0,0]=3 10909 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000753662_100000740836 [0,2,0,0,0,0|1,0,0]=3 10910 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|1,0,0]=3 10911 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|1,0,0]=3 10912 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|1,0,0]=3 10913 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 10914 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 10915 B10R0.83 COCCNC(=O)C(C)C#N 1626a_100000209980_100000753662 [0,2,0,0,0,0|2,0,0]=4 10916 B10R0.83 COCCNC(=O)C(C)C#N 240690a_100000209980_100000753662 [0,2,0,0,0,0|2,0,0]=4 10917 B10R0.83 COCCNC(=O)C(C)C#N 527a_100000209980_100000753662 [0,2,0,0,0,0|2,0,0]=4 10918 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 10919 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 10920 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 10921 B10R0.83 COCCNC(=O)C(C)SC 1626a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 10922 B10R0.83 COCCNC(=O)C(C)SC 240690a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 10923 B10R0.83 COCCNC(=O)C(C)SC 527a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 10924 B10R0.83 COCCNC(=O)C(C)SC 62a_100000230274_200000210301 [0,2,0,0,0,0|2,0,0]=4 10925 B10R0.83 COCCNC(=O)C(C)SC 62a_200000210301_100000230274 [0,2,0,0,0,0|2,0,0]=4 10926 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_100000230274_200025704644 [0,2,0,0,0,0|2,0,0]=4 10927 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230274 [0,2,0,0,0,0|2,0,0]=4 10928 B10R0.83 COCCNC(=O)C(O)CO 240690a_100000209980_100011215603 [0,2,0,0,0,0|2,0,0]=4 10929 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|2,0,0]=4 10930 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|2,0,0]=4 10931 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|2,0,0]=4 10932 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|2,0,0]=4 10933 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|2,0,0]=4 10934 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,2,0,0,0,0|2,0,0]=4 10935 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,2,0,0,0,0|2,0,0]=4 10936 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,2,0,0,0,0|2,0,0]=4 10937 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,2,0,0,0,0|2,0,0]=4 10938 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,2,0,0,0,0|2,0,0]=4 10939 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,2,0,0,0,0|2,0,0]=4 10940 B10R0.83 CSC(C)C(=O)CCCC#N 1458a_100000149566_100000211468 [0,2,0,0,0,0|1,0,1]=4 10941 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,2,0,0,0,0|1,0,0]=3 10942 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|1,0,0]=3 10943 B10R0.83 CSC(C)C(=O)NCCCF 11a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 10944 B10R0.83 CSC(C)C(=O)NCCCF 1626a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 10945 B10R0.83 CSC(C)C(=O)NCCCF 240690a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 10946 B10R0.83 CSC(C)C(=O)NCCCF 527a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 10947 B10R0.83 CSC(C)C(=O)NCCCO 240690a_100000182051_100000149566 [0,2,0,0,0,0|2,0,0]=4 10948 B10R0.83 CSC(C)C(=O)NCCCO 527a_100000182051_100000149566 [0,2,0,0,0,0|2,0,0]=4 10949 B10R0.83 CSCCCC(=O)C(C)C#N 1458a_100000173376_100000703298 [0,2,0,0,0,0|1,0,0]=3 10950 B10R0.83 CSCCNC(=O)C(C)C#N 11a_100020590264_100000753662 [0,2,0,0,0,0|2,0,0]=4 10951 B10R0.83 CSCCNC(=O)C(C)C#N 1626a_100020590264_100000753662 [0,2,0,0,0,0|2,0,0]=4 10952 B10R0.83 CSCCNC(=O)C(C)C#N 240690a_100020590264_100000753662 [0,2,0,0,0,0|2,0,0]=4 10953 B10R0.83 CSCCNC(=O)C(C)C#N 527a_100020590264_100000753662 [0,2,0,0,0,0|2,0,0]=4 10954 B10R0.83 CSCCNC(=O)C(C)SC 11a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 10955 B10R0.83 CSCCNC(=O)C(C)SC 1626a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 10956 B10R0.83 CSCCNC(=O)C(C)SC 240690a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 10957 B10R0.83 CSCCNC(=O)C(C)SC 527a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 10958 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,2,0,0,0,0|2,0,0]=4 10959 B10R0.83 N#CCCCC(=O)C(O)CO 1458a_100011215603_100000211468 [0,2,0,0,0,0|1,0,1]=4 10960 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|1,0,0]=3 10961 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|1,0,0]=3 10962 B10R0.83 O=C(NCCCF)C(O)CO 240690a_100015189416_100011215603 [0,2,0,0,0,0|2,0,0]=4 10963 B10R0.83 O=C(NCCCO)C(O)CO 240690a_100000182051_100011215603 [0,2,0,0,0,0|2,0,0]=4 10964 B10R0.91 C#CCCC(=O)C#CCCC 1458a_200011218047_100000753159 [0,2,0,0,0,0|0,0,2]=4 10965 B10R0.91 C#CCCC(=O)C/C=C/CC 1458a_100016274230_100000753159 [0,2,0,0,0,0|0,0,2]=4 10966 B10R0.91 C#CCCC(=O)C/C=C\CC 1458a_100000692101_100103147603 [0,2,0,0,0,0|0,0,2]=4 10967 B10R0.91 C#CCCC(=O)C=CCCC 1458a_100000212230_100000753159 [0,2,0,0,0,0|0,0,2]=4 10968 B10R0.91 C#CCCC(=O)CC#CCC 1458a_100000692101_100009813939 [0,2,0,0,0,0|0,0,2]=4 10969 B10R0.91 C#CCCC(=O)CCCC#N 1458a_100000075515_100000753159 [0,2,0,0,0,0|1,0,1]=4 10970 B10R0.91 C#CCCC(=O)CCCC#N 1458a_100000692101_100000211468 [0,2,0,0,0,0|1,0,1]=4 10971 B10R0.91 C#CCCC(=O)CCCC=C 1458a_100000692101_100000757094 [0,2,0,0,0,0|0,0,2]=4 10972 B10R0.91 C#CCCC(=O)CCCC=C 1458a_100000766728_100000753159 [0,2,0,0,0,0|0,0,2]=4 10973 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|0,0,0]=2 10974 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|0,0,0]=2 10975 B10R0.91 C#CCCC(=O)CCCCF 1458a_100000692101_100000729493 [0,2,0,0,0,0|1,0,0]=3 10976 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [0,2,0,0,0,0|1,0,0]=3 10977 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [0,2,0,0,0,0|1,0,0]=3 10978 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [0,2,0,0,0,0|1,0,0]=3 10979 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [0,2,0,0,0,0|1,0,0]=3 10980 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [0,2,0,0,0,0|1,0,0]=3 10981 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [0,2,0,0,0,0|1,0,0]=3 10982 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [0,2,0,0,0,0|1,0,0]=3 10983 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [0,2,0,0,0,0|1,0,0]=3 10984 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [0,2,0,0,0,0|1,0,0]=3 10985 B10R0.91 C#CCCC(=O)CCOCF 34a_100011064465_100015361967 [0,2,0,0,0,0|2,0,0]=4 10986 B10R0.91 C#CCCC(=O)CCOCF 7a_100011064465_100015361967 [0,2,0,0,0,0|2,0,0]=4 10987 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [0,2,0,0,0,0|1,0,0]=3 10988 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [0,2,0,0,0,0|1,0,0]=3 10989 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [0,2,0,0,0,0|1,0,0]=3 10990 B10R0.91 C#CCCC(=O)COCCO 1458a_100000708028_100000753159 [0,2,0,0,0,0|2,0,0]=4 10991 B10R0.91 C#CCCC(=O)CSCCC 1458a_100000217233_100000753159 [0,2,0,0,0,0|1,0,0]=3 10992 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [0,2,0,0,0,0|1,0,0]=3 10993 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [0,2,0,0,0,0|1,0,0]=3 10994 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [0,2,0,0,0,0|1,0,0]=3 10995 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [0,2,0,0,0,0|1,0,0]=3 10996 B10R0.91 C#CCCC(=O)NCCCF 11a_100015189416_100000692101 [0,2,0,0,0,0|2,0,0]=4 10997 B10R0.91 C#CCCC(=O)NCCCF 1626a_100015189416_100000692101 [0,2,0,0,0,0|2,0,0]=4 10998 B10R0.91 C#CCCC(=O)NCCCF 240690a_100015189416_100000692101 [0,2,0,0,0,0|2,0,0]=4 10999 B10R0.91 C#CCCC(=O)NCCCF 527a_100015189416_100000692101 [0,2,0,0,0,0|2,0,0]=4 11000 B10R0.91 C#CCCC(=O)NCCCO 240690a_100000182051_100000692101 [0,2,0,0,0,0|2,0,0]=4 11001 B10R0.91 C#CCCC(=O)NCCCO 527a_100000182051_100000692101 [0,2,0,0,0,0|2,0,0]=4 11002 B10R0.91 C#CCCC(=O)NCCOC 1626a_100000209980_100000692101 [0,2,0,0,0,0|2,0,0]=4 11003 B10R0.91 C#CCCC(=O)NCCOC 240690a_100000209980_100000692101 [0,2,0,0,0,0|2,0,0]=4 11004 B10R0.91 C#CCCC(=O)NCCOC 527a_100000209980_100000692101 [0,2,0,0,0,0|2,0,0]=4 11005 B10R0.91 C#CCCC(=O)NCCSC 11a_100020590264_100000692101 [0,2,0,0,0,0|2,0,0]=4 11006 B10R0.91 C#CCCC(=O)NCCSC 1626a_100020590264_100000692101 [0,2,0,0,0,0|2,0,0]=4 11007 B10R0.91 C#CCCC(=O)NCCSC 240690a_100020590264_100000692101 [0,2,0,0,0,0|2,0,0]=4 11008 B10R0.91 C#CCCC(=O)NCCSC 527a_100020590264_100000692101 [0,2,0,0,0,0|2,0,0]=4 11009 B10R0.91 C#CCCC(=O)NNCCC 22a_100000740057_100000692101 [0,2,0,0,0,0|2,0,0]=4 11010 B10R0.91 C#CCCCC(=O)C#CCC 1458a_100011827653_100000731252 [0,2,0,0,0,0|0,0,2]=4 11011 B10R0.91 C#CCCCC(=O)C/C=C/C 1458a_100000690238_100102629194 [0,2,0,0,0,0|0,0,2]=4 11012 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,2,0,0,0,0|0,0,2]=4 11013 B10R0.91 C#CCCCC(=O)CC#CC 1458a_100000690238_100000748600 [0,2,0,0,0,0|0,0,2]=4 11014 B10R0.91 C#CCCCC(=O)CC=CC 1458a_100000690238_100000070051 [0,2,0,0,0,0|0,0,2]=4 11015 B10R0.91 C#CCCCC(=O)CC=CC 1458a_100121576822_100000731252 [0,2,0,0,0,0|0,0,2]=4 11016 B10R0.91 C#CCCCC(=O)CCC#C 1458a_100000690238_100000753159 [0,2,0,0,0,0|0,0,2]=4 11017 B10R0.91 C#CCCCC(=O)CCC#C 1458a_100000692101_100000731252 [0,2,0,0,0,0|0,0,2]=4 11018 B10R0.91 C#CCCCC(=O)CCC#N 1458a_100000690238_100011215226 [0,2,0,0,0,0|0,0,2]=4 11019 B10R0.91 C#CCCCC(=O)CCC#N 1458a_100011934036_100000731252 [0,2,0,0,0,0|0,0,2]=4 11020 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000690238_100000754431 [0,2,0,0,0,0|0,0,2]=4 11021 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000749702_100000731252 [0,2,0,0,0,0|0,0,2]=4 11022 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,2,0,0,0,0|0,0,2]=4 11023 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,2,0,0,0,0|0,0,2]=4 11024 B10R0.91 C#CCCCC(=O)CCCF 1458a_100000690238_100011934791 [0,2,0,0,0,0|0,0,2]=4 11025 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [0,2,0,0,0,0|0,0,2]=4 11026 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [0,2,0,0,0,0|0,0,2]=4 11027 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [0,2,0,0,0,0|0,0,2]=4 11028 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [0,2,0,0,0,0|0,0,2]=4 11029 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [0,2,0,0,0,0|0,0,2]=4 11030 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,2,0,0,0,0|0,0,2]=4 11031 B10R0.91 C#CCCCC(=O)CSCC 1458a_100000230394_100000731252 [0,2,0,0,0,0|0,0,2]=4 11032 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [0,2,0,0,0,0|0,0,2]=4 11033 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [0,2,0,0,0,0|0,0,2]=4 11034 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [0,2,0,0,0,0|0,0,2]=4 11035 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [0,2,0,0,0,0|0,0,2]=4 11036 B10R0.91 C#CCCCC(=O)NCCF 11a_100000724931_100000690238 [0,2,0,0,0,0|0,0,2]=4 11037 B10R0.91 C#CCCCC(=O)NCCF 1626a_100000724931_100000690238 [0,2,0,0,0,0|0,0,2]=4 11038 B10R0.91 C#CCCCC(=O)NCCF 240690a_100000724931_100000690238 [0,2,0,0,0,0|0,0,2]=4 11039 B10R0.91 C#CCCCC(=O)NCCF 527a_100000724931_100000690238 [0,2,0,0,0,0|0,0,2]=4 11040 B10R0.91 C#CCCCC(=O)NCCO 240690a_100000210304_100000690238 [0,2,0,0,0,0|0,0,2]=4 11041 B10R0.91 C#CCCCC(=O)NCCO 527a_100000210304_100000690238 [0,2,0,0,0,0|0,0,2]=4 11042 B10R0.91 C#CCCCC(=O)NNCC 22a_100000756455_100000690238 [0,2,0,0,0,0|0,0,2]=4 11043 B10R0.91 C#CCCN(C)CCCCC 2230a_100000223495_100000688953 [0,2,0,0,0,0|2,0,0]=4 11044 B10R0.91 C#CCCN(C)CCCCC 269982a_100000223495_100000730999 [0,2,0,0,0,0|2,0,0]=4 11045 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,2,0,0,0,0|0,0,1]=3 11046 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,2,0,0,0,0|0,0,1]=3 11047 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,2,0,0,0,0|0,0,1]=3 11048 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,2,0,0,0,0|0,0,1]=3 11049 B10R0.91 C#CCNC(=O)CCCCO 1626a_100000212058_100000695505 [0,2,0,0,0,0|1,0,1]=4 11050 B10R0.91 C#CCNC(=O)CCCOC 11a_100000212058_100000741012 [0,2,0,0,0,0|1,0,1]=4 11051 B10R0.91 C#CCNC(=O)CCCOC 1626a_100000212058_100000741012 [0,2,0,0,0,0|1,0,1]=4 11052 B10R0.91 C#CCNC(=O)CCCOC 240690a_100000212058_100000741012 [0,2,0,0,0,0|1,0,1]=4 11053 B10R0.91 C#CCNC(=O)CCCOC 527a_100000212058_100000741012 [0,2,0,0,0,0|1,0,1]=4 11054 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [0,2,0,0,0,0|1,0,1]=4 11055 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [0,2,0,0,0,0|1,0,1]=4 11056 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [0,2,0,0,0,0|1,0,1]=4 11057 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [0,2,0,0,0,0|1,0,1]=4 11058 B10R0.91 C#CCNC(=O)CCOCC 11a_100000212058_100000749530 [0,2,0,0,0,0|1,0,1]=4 11059 B10R0.91 C#CCNC(=O)CCOCC 1626a_100000212058_100000749530 [0,2,0,0,0,0|1,0,1]=4 11060 B10R0.91 C#CCNC(=O)CCOCC 240690a_100000212058_100000749530 [0,2,0,0,0,0|1,0,1]=4 11061 B10R0.91 C#CCNC(=O)CCOCC 527a_100000212058_100000749530 [0,2,0,0,0,0|1,0,1]=4 11062 B10R0.91 C#CCNC(=O)CCSCC 11a_100000212058_100000230768 [0,2,0,0,0,0|1,0,1]=4 11063 B10R0.91 C#CCNC(=O)CCSCC 1626a_100000212058_100000230768 [0,2,0,0,0,0|1,0,1]=4 11064 B10R0.91 C#CCNC(=O)CCSCC 240690a_100000212058_100000230768 [0,2,0,0,0,0|1,0,1]=4 11065 B10R0.91 C#CCNC(=O)CCSCC 527a_100000212058_100000230768 [0,2,0,0,0,0|1,0,1]=4 11066 B10R0.91 C#CCNC(=O)CNCCC 2230a_100000747989_100000210303 [0,2,0,0,0,0|1,0,1]=4 11067 B10R0.91 C#CCNC(=O)CNCCC 34a_100000747989_100000210303 [0,2,0,0,0,0|1,0,1]=4 11068 B10R0.91 C#CCNC(=O)COCCC 11a_100000212058_100000745993 [0,2,0,0,0,0|1,0,1]=4 11069 B10R0.91 C#CCNC(=O)COCCC 1626a_100000212058_100000745993 [0,2,0,0,0,0|1,0,1]=4 11070 B10R0.91 C#CCNC(=O)COCCC 240690a_100000212058_100000745993 [0,2,0,0,0,0|1,0,1]=4 11071 B10R0.91 C#CCNC(=O)COCCC 527a_100000212058_100000745993 [0,2,0,0,0,0|1,0,1]=4 11072 B10R0.91 C#CCNC(=O)CSCCC 11a_100000212058_100000217233 [0,2,0,0,0,0|1,0,1]=4 11073 B10R0.91 C#CCNC(=O)CSCCC 1626a_100000212058_100000217233 [0,2,0,0,0,0|1,0,1]=4 11074 B10R0.91 C#CCNC(=O)CSCCC 240690a_100000212058_100000217233 [0,2,0,0,0,0|1,0,1]=4 11075 B10R0.91 C#CCNC(=O)CSCCC 527a_100000212058_100000217233 [0,2,0,0,0,0|1,0,1]=4 11076 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000102301_100000212058 [0,2,0,0,0,0|1,0,1]=4 11077 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000212058_100000102301 [0,2,0,0,0,0|1,0,1]=4 11078 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000102301_100000212058 [0,2,0,0,0,0|1,0,1]=4 11079 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000212058_100000102301 [0,2,0,0,0,0|1,0,1]=4 11080 B10R0.91 C#CCNC(=O)NCCCC 512a_100000102301_100000212058 [0,2,0,0,0,0|1,0,1]=4 11081 B10R0.91 C#CCNC(=O)NCCCC 512a_100000212058_100000102301 [0,2,0,0,0,0|1,0,1]=4 11082 B10R0.91 C/C=C/CC(=O)C#CCCC 1458a_200011218047_100102629194 [0,2,0,0,0,0|0,0,2]=4 11083 B10R0.91 C/C=C/CC(=O)C/C=C/CC 1458a_100016274230_100102629194 [0,2,0,0,0,0|0,0,2]=4 11084 B10R0.91 C/C=C/CC(=O)C=CCCC 1458a_100000212230_100102629194 [0,2,0,0,0,0|0,0,2]=4 11085 B10R0.91 C/C=C/CC(=O)CCCC#N 1458a_100000075515_100102629194 [0,2,0,0,0,0|1,0,1]=4 11086 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|0,0,0]=2 11087 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,2,0,0,0,0|1,0,0]=3 11088 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,2,0,0,0,0|1,0,0]=3 11089 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,2,0,0,0,0|1,0,0]=3 11090 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,2,0,0,0,0|1,0,0]=3 11091 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,2,0,0,0,0|1,0,0]=3 11092 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,2,0,0,0,0|1,0,0]=3 11093 B10R0.91 C/C=C/CC(=O)COCCO 1458a_100000708028_100102629194 [0,2,0,0,0,0|2,0,0]=4 11094 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [0,2,0,0,0,0|1,0,0]=3 11095 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,2,0,0,0,0|2,0,0]=4 11096 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,2,0,0,0,0|2,0,0]=4 11097 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,2,0,0,0,0|2,0,0]=4 11098 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,2,0,0,0,0|2,0,0]=4 11099 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,2,0,0,0,0|0,0,2]=4 11100 B10R0.91 C=CCCC(=O)C#CCCC 1458a_200011218047_100000754431 [0,2,0,0,0,0|0,0,2]=4 11101 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [0,2,0,0,0,0|0,0,2]=4 11102 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [0,2,0,0,0,0|0,0,2]=4 11103 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [0,2,0,0,0,0|0,0,2]=4 11104 B10R0.91 C=CCCC(=O)CC#CCC 1458a_100000749702_100009813939 [0,2,0,0,0,0|0,0,2]=4 11105 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000075515_100000754431 [0,2,0,0,0,0|1,0,1]=4 11106 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000749702_100000211468 [0,2,0,0,0,0|1,0,1]=4 11107 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|0,0,0]=2 11108 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|0,0,0]=2 11109 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,2,0,0,0,0|1,0,0]=3 11110 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,2,0,0,0,0|1,0,0]=3 11111 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,2,0,0,0,0|1,0,0]=3 11112 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,2,0,0,0,0|1,0,0]=3 11113 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,2,0,0,0,0|1,0,0]=3 11114 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|1,0,0]=3 11115 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,2,0,0,0,0|1,0,0]=3 11116 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,2,0,0,0,0|1,0,0]=3 11117 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,2,0,0,0,0|1,0,0]=3 11118 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,2,0,0,0,0|1,0,0]=3 11119 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,2,0,0,0,0|1,0,0]=3 11120 B10R0.91 C=CCCC(=O)COCCO 1458a_100000708028_100000754431 [0,2,0,0,0,0|2,0,0]=4 11121 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,2,0,0,0,0|1,0,0]=3 11122 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 11123 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 11124 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 11125 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,2,0,0,0,0|1,0,0]=3 11126 B10R0.91 C=CCCC(=O)NCCCF 11a_100015189416_100000749702 [0,2,0,0,0,0|2,0,0]=4 11127 B10R0.91 C=CCCC(=O)NCCCF 1626a_100015189416_100000749702 [0,2,0,0,0,0|2,0,0]=4 11128 B10R0.91 C=CCCC(=O)NCCCF 240690a_100015189416_100000749702 [0,2,0,0,0,0|2,0,0]=4 11129 B10R0.91 C=CCCC(=O)NCCCF 527a_100015189416_100000749702 [0,2,0,0,0,0|2,0,0]=4 11130 B10R0.91 C=CCCC(=O)NCCCO 240690a_100000182051_100000749702 [0,2,0,0,0,0|2,0,0]=4 11131 B10R0.91 C=CCCC(=O)NCCCO 527a_100000182051_100000749702 [0,2,0,0,0,0|2,0,0]=4 11132 B10R0.91 C=CCCC(=O)NCCOC 1626a_100000209980_100000749702 [0,2,0,0,0,0|2,0,0]=4 11133 B10R0.91 C=CCCC(=O)NCCOC 240690a_100000209980_100000749702 [0,2,0,0,0,0|2,0,0]=4 11134 B10R0.91 C=CCCC(=O)NCCOC 527a_100000209980_100000749702 [0,2,0,0,0,0|2,0,0]=4 11135 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 11136 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 11137 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 11138 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 11139 B10R0.91 C=CCCC(=O)NNCCC 22a_100000740057_100000749702 [0,2,0,0,0,0|2,0,0]=4 11140 B10R0.91 C=CCCCC(=O)C#CCC 1458a_100011827653_100000757094 [0,2,0,0,0,0|0,0,2]=4 11141 B10R0.91 C=CCCCC(=O)C/C=C/C 1458a_100000766728_100102629194 [0,2,0,0,0,0|0,0,2]=4 11142 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,2,0,0,0,0|0,0,2]=4 11143 B10R0.91 C=CCCCC(=O)CC#CC 1458a_100000766728_100000748600 [0,2,0,0,0,0|0,0,2]=4 11144 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100000766728_100000070051 [0,2,0,0,0,0|0,0,2]=4 11145 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100121576822_100000757094 [0,2,0,0,0,0|0,0,2]=4 11146 B10R0.91 C=CCCCC(=O)CCC#N 1458a_100000766728_100011215226 [0,2,0,0,0,0|0,0,2]=4 11147 B10R0.91 C=CCCCC(=O)CCC#N 1458a_100011934036_100000757094 [0,2,0,0,0,0|0,0,2]=4 11148 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000749702_100000757094 [0,2,0,0,0,0|0,0,2]=4 11149 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000766728_100000754431 [0,2,0,0,0,0|0,0,2]=4 11150 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,2,0,0,0,0|0,0,2]=4 11151 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,2,0,0,0,0|0,0,2]=4 11152 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [0,2,0,0,0,0|0,0,2]=4 11153 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,2,0,0,0,0|0,0,2]=4 11154 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,2,0,0,0,0|0,0,2]=4 11155 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,2,0,0,0,0|0,0,2]=4 11156 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,2,0,0,0,0|0,0,2]=4 11157 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,2,0,0,0,0|0,0,2]=4 11158 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,2,0,0,0,0|0,0,2]=4 11159 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [0,2,0,0,0,0|0,0,2]=4 11160 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [0,2,0,0,0,0|0,0,2]=4 11161 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [0,2,0,0,0,0|0,0,2]=4 11162 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [0,2,0,0,0,0|0,0,2]=4 11163 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [0,2,0,0,0,0|0,0,2]=4 11164 B10R0.91 C=CCCCC(=O)NCCF 11a_100000724931_100000766728 [0,2,0,0,0,0|0,0,2]=4 11165 B10R0.91 C=CCCCC(=O)NCCF 1626a_100000724931_100000766728 [0,2,0,0,0,0|0,0,2]=4 11166 B10R0.91 C=CCCCC(=O)NCCF 240690a_100000724931_100000766728 [0,2,0,0,0,0|0,0,2]=4 11167 B10R0.91 C=CCCCC(=O)NCCF 527a_100000724931_100000766728 [0,2,0,0,0,0|0,0,2]=4 11168 B10R0.91 C=CCCCC(=O)NCCO 240690a_100000210304_100000766728 [0,2,0,0,0,0|0,0,2]=4 11169 B10R0.91 C=CCCCC(=O)NCCO 527a_100000210304_100000766728 [0,2,0,0,0,0|0,0,2]=4 11170 B10R0.91 C=CCCCC(=O)NNCC 22a_100000756455_100000766728 [0,2,0,0,0,0|0,0,2]=4 11171 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 11172 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,2,0,0,0,0|2,0,0]=4 11173 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 11174 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,2,0,0,0,0|2,0,0]=4 11175 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|0,0,1]=3 11176 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|0,0,1]=3 11177 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|0,0,1]=3 11178 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [0,2,0,0,0,0|1,0,1]=4 11179 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,2,0,0,0,0|1,0,1]=4 11180 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,2,0,0,0,0|1,0,1]=4 11181 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,2,0,0,0,0|1,0,1]=4 11182 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,2,0,0,0,0|1,0,1]=4 11183 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,2,0,0,0,0|1,0,1]=4 11184 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,2,0,0,0,0|1,0,1]=4 11185 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [0,2,0,0,0,0|1,0,1]=4 11186 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [0,2,0,0,0,0|1,0,1]=4 11187 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [0,2,0,0,0,0|1,0,1]=4 11188 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [0,2,0,0,0,0|1,0,1]=4 11189 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,2,0,0,0,0|1,0,1]=4 11190 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,2,0,0,0,0|1,0,1]=4 11191 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,2,0,0,0,0|1,0,1]=4 11192 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,2,0,0,0,0|1,0,1]=4 11193 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,2,0,0,0,0|1,0,1]=4 11194 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,2,0,0,0,0|1,0,1]=4 11195 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,2,0,0,0,0|1,0,1]=4 11196 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,2,0,0,0,0|1,0,1]=4 11197 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [0,2,0,0,0,0|1,0,1]=4 11198 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [0,2,0,0,0,0|1,0,1]=4 11199 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [0,2,0,0,0,0|1,0,1]=4 11200 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [0,2,0,0,0,0|1,0,1]=4 11201 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [0,2,0,0,0,0|1,0,1]=4 11202 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [0,2,0,0,0,0|1,0,1]=4 11203 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [0,2,0,0,0,0|1,0,1]=4 11204 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [0,2,0,0,0,0|1,0,1]=4 11205 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [0,2,0,0,0,0|1,0,1]=4 11206 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [0,2,0,0,0,0|1,0,1]=4 11207 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|1,0,1]=4 11208 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|1,0,1]=4 11209 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|1,0,1]=4 11210 B10R0.91 CC#CCC(=O)C#CCCC 1458a_200011218047_100000748600 [0,2,0,0,0,0|0,0,2]=4 11211 B10R0.91 CC#CCC(=O)C/C=C/CC 1458a_100016274230_100000748600 [0,2,0,0,0,0|0,0,2]=4 11212 B10R0.91 CC#CCC(=O)C=CCCC 1458a_100000212230_100000748600 [0,2,0,0,0,0|0,0,2]=4 11213 B10R0.91 CC#CCC(=O)CCCC#N 1458a_100000075515_100000748600 [0,2,0,0,0,0|1,0,1]=4 11214 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,2,0,0,0,0|0,0,0]=2 11215 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [0,2,0,0,0,0|1,0,0]=3 11216 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [0,2,0,0,0,0|1,0,0]=3 11217 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [0,2,0,0,0,0|1,0,0]=3 11218 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [0,2,0,0,0,0|1,0,0]=3 11219 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [0,2,0,0,0,0|1,0,0]=3 11220 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [0,2,0,0,0,0|1,0,0]=3 11221 B10R0.91 CC#CCC(=O)COCCO 1458a_100000708028_100000748600 [0,2,0,0,0,0|2,0,0]=4 11222 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [0,2,0,0,0,0|1,0,0]=3 11223 B10R0.91 CC#CCN(C)CCCCC 2230a_100000223495_100000748600 [0,2,0,0,0,0|2,0,0]=4 11224 B10R0.91 CC/C=C/CC(=O)CCC#N 1458a_100016274230_100011215226 [0,2,0,0,0,0|0,0,2]=4 11225 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,2,0,0,0,0|0,0,2]=4 11226 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,2,0,0,0,0|0,0,2]=4 11227 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,2,0,0,0,0|0,0,2]=4 11228 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,2,0,0,0,0|0,0,2]=4 11229 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,2,0,0,0,0|0,0,2]=4 11230 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,2,0,0,0,0|0,0,2]=4 11231 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,2,0,0,0,0|0,0,2]=4 11232 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,2,0,0,0,0|0,0,2]=4 11233 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,2,0,0,0,0|0,0,2]=4 11234 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [0,2,0,0,0,0|0,0,2]=4 11235 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [0,2,0,0,0,0|0,0,2]=4 11236 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [0,2,0,0,0,0|0,0,2]=4 11237 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [0,2,0,0,0,0|0,0,2]=4 11238 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,2,0,0,0,0|0,0,2]=4 11239 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,2,0,0,0,0|0,0,2]=4 11240 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [0,2,0,0,0,0|0,0,2]=4 11241 B10R0.91 CC/C=C\CC(=O)CCC#N 1458a_100011934036_100103147603 [0,2,0,0,0,0|0,0,2]=4 11242 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,2,0,0,0,0|0,0,2]=4 11243 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,2,0,0,0,0|0,0,2]=4 11244 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,2,0,0,0,0|0,0,2]=4 11245 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|0,0,2]=4 11246 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,2,0,0,0,0|0,0,2]=4 11247 B10R0.91 CC=CCC(=O)C#CCCC 1458a_200011218047_100000070051 [0,2,0,0,0,0|0,0,2]=4 11248 B10R0.91 CC=CCC(=O)C/C=C/CC 1458a_100016274230_100000070051 [0,2,0,0,0,0|0,0,2]=4 11249 B10R0.91 CC=CCC(=O)C/C=C\CC 1458a_100121576822_100103147603 [0,2,0,0,0,0|0,0,2]=4 11250 B10R0.91 CC=CCC(=O)C=CCCC 1458a_100000212230_100000070051 [0,2,0,0,0,0|0,0,2]=4 11251 B10R0.91 CC=CCC(=O)CC#CCC 1458a_100121576822_100009813939 [0,2,0,0,0,0|0,0,2]=4 11252 B10R0.91 CC=CCC(=O)CCCC#N 1458a_100000075515_100000070051 [0,2,0,0,0,0|1,0,1]=4 11253 B10R0.91 CC=CCC(=O)CCCC#N 1458a_100121576822_100000211468 [0,2,0,0,0,0|1,0,1]=4 11254 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|0,0,0]=2 11255 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|0,0,0]=2 11256 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [0,2,0,0,0,0|1,0,0]=3 11257 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,2,0,0,0,0|1,0,0]=3 11258 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,2,0,0,0,0|1,0,0]=3 11259 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,2,0,0,0,0|1,0,0]=3 11260 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,2,0,0,0,0|1,0,0]=3 11261 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,2,0,0,0,0|1,0,0]=3 11262 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,2,0,0,0,0|1,0,0]=3 11263 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,2,0,0,0,0|1,0,0]=3 11264 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,2,0,0,0,0|1,0,0]=3 11265 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,2,0,0,0,0|1,0,0]=3 11266 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,2,0,0,0,0|1,0,0]=3 11267 B10R0.91 CC=CCC(=O)COCCO 1458a_100000708028_100000070051 [0,2,0,0,0,0|2,0,0]=4 11268 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [0,2,0,0,0,0|1,0,0]=3 11269 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,2,0,0,0,0|1,0,0]=3 11270 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,2,0,0,0,0|1,0,0]=3 11271 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,2,0,0,0,0|1,0,0]=3 11272 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,2,0,0,0,0|1,0,0]=3 11273 B10R0.91 CC=CCC(=O)NCCCF 11a_100015189416_100121576822 [0,2,0,0,0,0|2,0,0]=4 11274 B10R0.91 CC=CCC(=O)NCCCF 1626a_100015189416_100121576822 [0,2,0,0,0,0|2,0,0]=4 11275 B10R0.91 CC=CCC(=O)NCCCF 240690a_100015189416_100121576822 [0,2,0,0,0,0|2,0,0]=4 11276 B10R0.91 CC=CCC(=O)NCCCF 527a_100015189416_100121576822 [0,2,0,0,0,0|2,0,0]=4 11277 B10R0.91 CC=CCC(=O)NCCCO 240690a_100000182051_100121576822 [0,2,0,0,0,0|2,0,0]=4 11278 B10R0.91 CC=CCC(=O)NCCCO 527a_100000182051_100121576822 [0,2,0,0,0,0|2,0,0]=4 11279 B10R0.91 CC=CCC(=O)NCCOC 1626a_100000209980_100121576822 [0,2,0,0,0,0|2,0,0]=4 11280 B10R0.91 CC=CCC(=O)NCCOC 240690a_100000209980_100121576822 [0,2,0,0,0,0|2,0,0]=4 11281 B10R0.91 CC=CCC(=O)NCCOC 527a_100000209980_100121576822 [0,2,0,0,0,0|2,0,0]=4 11282 B10R0.91 CC=CCC(=O)NCCSC 11a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 11283 B10R0.91 CC=CCC(=O)NCCSC 1626a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 11284 B10R0.91 CC=CCC(=O)NCCSC 240690a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 11285 B10R0.91 CC=CCC(=O)NCCSC 527a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 11286 B10R0.91 CC=CCC(=O)NNCCC 22a_100000740057_100121576822 [0,2,0,0,0,0|2,0,0]=4 11287 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,2,0,0,0,0|2,0,0]=4 11288 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [0,2,0,0,0,0|0,0,1]=3 11289 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [0,2,0,0,0,0|0,0,2]=4 11290 B10R0.91 CCC#CC(=O)CCCC#N 1458a_100011827653_100000211468 [0,2,0,0,0,0|1,0,1]=4 11291 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|0,0,0]=2 11292 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [0,2,0,0,0,0|1,0,0]=3 11293 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,2,0,0,0,0|1,0,0]=3 11294 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,2,0,0,0,0|1,0,0]=3 11295 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [0,2,0,0,0,0|1,0,0]=3 11296 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [0,2,0,0,0,0|1,0,0]=3 11297 B10R0.91 CCC#CC(=O)NNCCC 22a_100000740057_100011827653 [0,2,0,0,0,0|2,0,0]=4 11298 B10R0.91 CCC#CCC(=O)C#CCC 1458a_100011827653_100009813939 [0,2,0,0,0,0|0,0,2]=4 11299 B10R0.91 CCC#CCC(=O)C=CCC 1458a_100000212282_100009813939 [0,2,0,0,0,0|0,0,2]=4 11300 B10R0.91 CCC#CCC(=O)CCC#N 1458a_100011934036_100009813939 [0,2,0,0,0,0|0,0,2]=4 11301 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [0,2,0,0,0,0|0,0,2]=4 11302 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [0,2,0,0,0,0|0,0,2]=4 11303 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [0,2,0,0,0,0|0,0,2]=4 11304 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [0,2,0,0,0,0|0,0,2]=4 11305 B10R0.91 CCC#CCC(=O)CSCC 1458a_100000230394_100009813939 [0,2,0,0,0,0|0,0,2]=4 11306 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [0,2,0,0,0,0|0,0,2]=4 11307 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,2,0,0,0,0|1,0,1]=4 11308 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|0,0,0]=2 11309 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,2,0,0,0,0|1,0,0]=3 11310 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|1,0,0]=3 11311 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|1,0,0]=3 11312 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,2,0,0,0,0|1,0,0]=3 11313 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,2,0,0,0,0|1,0,0]=3 11314 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,2,0,0,0,0|1,0,0]=3 11315 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,2,0,0,0,0|1,0,0]=3 11316 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,2,0,0,0,0|1,0,0]=3 11317 B10R0.91 CCC=CC(=O)NCCCF 11a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 11318 B10R0.91 CCC=CC(=O)NCCCF 1626a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 11319 B10R0.91 CCC=CC(=O)NCCCF 240690a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 11320 B10R0.91 CCC=CC(=O)NCCCO 240690a_100000182051_100000212282 [0,2,0,0,0,0|2,0,0]=4 11321 B10R0.91 CCC=CC(=O)NCCOC 1626a_100000209980_100000212282 [0,2,0,0,0,0|2,0,0]=4 11322 B10R0.91 CCC=CC(=O)NCCOC 240690a_100000209980_100000212282 [0,2,0,0,0,0|2,0,0]=4 11323 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 11324 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 11325 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 11326 B10R0.91 CCC=CC(=O)NNCCC 22a_100000740057_100000212282 [0,2,0,0,0,0|2,0,0]=4 11327 B10R0.91 CCCC#CC(=O)CCC#N 1458a_200011218047_100011215226 [0,2,0,0,0,0|0,0,2]=4 11328 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [0,2,0,0,0,0|0,0,2]=4 11329 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [0,2,0,0,0,0|0,0,2]=4 11330 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [0,2,0,0,0,0|0,0,2]=4 11331 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [0,2,0,0,0,0|0,0,2]=4 11332 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [0,2,0,0,0,0|0,0,2]=4 11333 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [0,2,0,0,0,0|0,0,2]=4 11334 B10R0.91 CCCC#CC(=O)NCCF 240690a_100000724931_200011218047 [0,2,0,0,0,0|0,0,2]=4 11335 B10R0.91 CCCC#CC(=O)NCCO 240690a_100000210304_200011218047 [0,2,0,0,0,0|0,0,2]=4 11336 B10R0.91 CCCC#CC(=O)NNCC 22a_100000756455_200011218047 [0,2,0,0,0,0|0,0,2]=4 11337 B10R0.91 CCCC=CC(=O)CCC#N 1458a_100000212230_100011215226 [0,2,0,0,0,0|0,0,2]=4 11338 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,2,0,0,0,0|0,0,2]=4 11339 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,2,0,0,0,0|0,0,2]=4 11340 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,2,0,0,0,0|0,0,2]=4 11341 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,2,0,0,0,0|0,0,2]=4 11342 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,2,0,0,0,0|0,0,2]=4 11343 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,2,0,0,0,0|0,0,2]=4 11344 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,2,0,0,0,0|0,0,2]=4 11345 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,2,0,0,0,0|0,0,2]=4 11346 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [0,2,0,0,0,0|0,0,2]=4 11347 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [0,2,0,0,0,0|0,0,2]=4 11348 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [0,2,0,0,0,0|0,0,2]=4 11349 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,2,0,0,0,0|0,0,2]=4 11350 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [0,2,0,0,0,0|0,0,2]=4 11351 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,2,0,0,0,0|1,0,1]=4 11352 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,2,0,0,0,0|1,0,1]=4 11353 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,2,0,0,0,0|1,0,0]=3 11354 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,2,0,0,0,0|1,0,0]=3 11355 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,2,0,0,0,0|1,0,0]=3 11356 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|1,0,0]=3 11357 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|1,0,0]=3 11358 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,2,0,0,0,0|1,0,0]=3 11359 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|1,0,0]=3 11360 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|1,0,0]=3 11361 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,2,0,0,0,0|1,0,0]=3 11362 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,2,0,0,0,0|1,0,0]=3 11363 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,2,0,0,0,0|1,0,0]=3 11364 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,2,0,0,0,0|2,0,0]=4 11365 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,2,0,0,0,0|1,0,0]=3 11366 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,2,0,0,0,0|2,0,0]=4 11367 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,2,0,0,0,0|2,0,0]=4 11368 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,2,0,0,0,0|2,0,0]=4 11369 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,2,0,0,0,0|2,0,0]=4 11370 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,2,0,0,0,0|2,0,0]=4 11371 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,2,0,0,0,0|2,0,0]=4 11372 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,2,0,0,0,0|2,0,0]=4 11373 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,2,0,0,0,0|2,0,0]=4 11374 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,2,0,0,0,0|2,0,0]=4 11375 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,2,0,0,0,0|2,0,0]=4 11376 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,2,0,0,0,0|2,0,0]=4 11377 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,2,0,0,0,0|2,0,0]=4 11378 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,2,0,0,0,0|2,0,0]=4 11379 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [0,2,0,0,0,0|2,0,0]=4 11380 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [0,2,0,0,0,0|1,0,0]=3 11381 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,2,0,0,0,0|0,0,1]=3 11382 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|0,0,1]=3 11383 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|0,0,0]=2 11384 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|0,0,0]=2 11385 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|0,0,0]=2 11386 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|0,0,0]=2 11387 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|0,0,0]=2 11388 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|0,0,0]=2 11389 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|0,0,0]=2 11390 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|0,0,0]=2 11391 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|0,0,0]=2 11392 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|0,0,0]=2 11393 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|0,0,0]=2 11394 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|0,0,0]=2 11395 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|0,0,0]=2 11396 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|0,0,0]=2 11397 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|0,0,0]=2 11398 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|0,0,0]=2 11399 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|0,0,0]=2 11400 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|0,0,0]=2 11401 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,2,0,0,0,0|0,0,1]=3 11402 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,2,0,0,0,0|0,0,1]=3 11403 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|0,0,0]=2 11404 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|0,0,0]=2 11405 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|0,0,0]=2 11406 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|0,0,0]=2 11407 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|0,0,0]=2 11408 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|0,0,0]=2 11409 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|0,0,0]=2 11410 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|0,0,0]=2 11411 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|0,0,0]=2 11412 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|0,0,0]=2 11413 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|0,0,0]=2 11414 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,2,0,0,0,0|1,0,1]=4 11415 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,2,0,0,0,0|1,0,1]=4 11416 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,2,0,0,0,0|1,0,1]=4 11417 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,2,0,0,0,0|1,0,1]=4 11418 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,2,0,0,0,0|1,0,1]=4 11419 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,2,0,0,0,0|1,0,1]=4 11420 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,2,0,0,0,0|1,0,1]=4 11421 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,2,0,0,0,0|1,0,1]=4 11422 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,2,0,0,0,0|1,0,1]=4 11423 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,2,0,0,0,0|1,0,1]=4 11424 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,2,0,0,0,0|1,0,1]=4 11425 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,2,0,0,0,0|1,0,1]=4 11426 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 11427 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 11428 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,2,0,0,0,0|1,0,1]=4 11429 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,2,0,0,0,0|1,0,1]=4 11430 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,2,0,0,0,0|1,0,1]=4 11431 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,2,0,0,0,0|1,0,1]=4 11432 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,2,0,0,0,0|1,0,1]=4 11433 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,2,0,0,0,0|1,0,1]=4 11434 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,2,0,0,0,0|1,0,1]=4 11435 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,2,0,0,0,0|1,0,1]=4 11436 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,2,0,0,0,0|1,0,1]=4 11437 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,2,0,0,0,0|1,0,1]=4 11438 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,2,0,0,0,0|1,0,1]=4 11439 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,2,0,0,0,0|1,0,1]=4 11440 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,2,0,0,0,0|1,0,1]=4 11441 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,2,0,0,0,0|1,0,1]=4 11442 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,2,0,0,0,0|1,0,1]=4 11443 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,2,0,0,0,0|1,0,1]=4 11444 B10R0.91 CCCCCN(C)CCC#N 2230a_100000184479_100000210326 [0,2,0,0,0,0|2,0,0]=4 11445 B10R0.91 CCCCCN(C)CCC#N 2230a_100000223495_100011215226 [0,2,0,0,0,0|2,0,0]=4 11446 B10R0.91 CCCCCN(C)CCC#N 2230a_200000177445_200000210301 [0,2,0,0,0,0|2,0,0]=4 11447 B10R0.91 CCCCCN(C)CCC#N 269982a_100000223495_100011215226 [0,2,0,0,0,0|2,0,0]=4 11448 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,2,0,0,0,0|2,0,0]=4 11449 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,2,0,0,0,0|2,0,0]=4 11450 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,2,0,0,0,0|2,0,0]=4 11451 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,2,0,0,0,0|2,0,0]=4 11452 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,2,0,0,0,0|2,0,0]=4 11453 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,2,0,0,0,0|2,0,0]=4 11454 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,2,0,0,0,0|2,0,0]=4 11455 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,2,0,0,0,0|2,0,0]=4 11456 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,2,0,0,0,0|2,0,0]=4 11457 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,2,0,0,0,0|2,0,0]=4 11458 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,2,0,0,0,0|2,0,0]=4 11459 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,2,0,0,0,0|2,0,0]=4 11460 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,2,0,0,0,0|2,0,0]=4 11461 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,2,0,0,0,0|2,0,0]=4 11462 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,2,0,0,0,0|2,0,0]=4 11463 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,2,0,0,0,0|2,0,0]=4 11464 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,2,0,0,0,0|2,0,0]=4 11465 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,2,0,0,0,0|2,0,0]=4 11466 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,2,0,0,0,0|2,0,0]=4 11467 B10R0.91 CCCCCN([13CH3])CCC#N 2230a_200000177445_200025704644 [0,2,0,0,0,0|2,0,0]=4 11468 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,2,0,0,0,0|1,0,1]=4 11469 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,2,0,0,0,0|1,0,1]=4 11470 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [0,2,0,0,0,0|1,0,0]=3 11471 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [0,2,0,0,0,0|1,0,0]=3 11472 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [0,2,0,0,0,0|1,0,0]=3 11473 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [0,2,0,0,0,0|1,0,0]=3 11474 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,2,0,0,0,0|1,0,0]=3 11475 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,2,0,0,0,0|1,0,0]=3 11476 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,2,0,0,0,0|1,0,0]=3 11477 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,2,0,0,0,0|1,0,0]=3 11478 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 11479 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 11480 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 11481 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 11482 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 11483 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 11484 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 11485 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 11486 B10R0.91 CCCCNC(=O)CN=[N+]=[N-] 11a_100000102301_100000751907 [0,2,0,0,0,0|2,0,0]=4 11487 B10R0.91 CCCCNC(=O)CN=[N+]=[N-] 240690a_100000102301_100000751907 [0,2,0,0,0,0|2,0,0]=4 11488 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,2,0,0,0,0|1,0,0]=3 11489 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 11490 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 11491 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 11492 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,2,0,0,0,0|1,0,0]=3 11493 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 11494 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,2,0,0,0,0|1,0,0]=3 11495 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,2,0,0,0,0|1,0,0]=3 11496 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,2,0,0,0,0|1,0,0]=3 11497 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,2,0,0,0,0|1,0,0]=3 11498 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,2,0,0,0,0|1,0,0]=3 11499 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,2,0,0,0,0|1,0,0]=3 11500 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [0,2,0,0,0,0|1,0,0]=3 11501 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [0,2,0,0,0,0|1,0,0]=3 11502 B10R0.91 CCCCNC(=O)NCC#N 2708a_100000734998_100000102301 [0,2,0,0,0,0|1,0,1]=4 11503 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000102301_100000734998 [0,2,0,0,0,0|1,0,1]=4 11504 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000734998_100000102301 [0,2,0,0,0,0|1,0,1]=4 11505 B10R0.91 CCCCNC(=O)NCC#N 512a_100000102301_100000734998 [0,2,0,0,0,0|1,0,1]=4 11506 B10R0.91 CCCCNC(=O)NCC#N 512a_100000734998_100000102301 [0,2,0,0,0,0|1,0,1]=4 11507 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,2,0,0,0,0|1,0,0]=3 11508 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,2,0,0,0,0|1,0,0]=3 11509 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,2,0,0,0,0|1,0,0]=3 11510 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,2,0,0,0,0|1,0,0]=3 11511 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,2,0,0,0,0|1,0,0]=3 11512 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,2,0,0,0,0|1,0,0]=3 11513 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,2,0,0,0,0|1,0,0]=3 11514 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,2,0,0,0,0|1,0,0]=3 11515 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,2,0,0,0,0|1,0,0]=3 11516 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,2,0,0,0,0|1,0,0]=3 11517 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,2,0,0,0,0|1,0,0]=3 11518 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,2,0,0,0,0|1,0,0]=3 11519 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,2,0,0,0,0|1,0,0]=3 11520 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,2,0,0,0,0|1,0,0]=3 11521 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [0,2,0,0,0,0|1,0,0]=3 11522 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [0,2,0,0,0,0|1,0,0]=3 11523 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [0,2,0,0,0,0|1,0,0]=3 11524 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,2,0,0,0,0|1,0,0]=3 11525 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|1,0,0]=3 11526 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,2,0,0,0,0|1,0,0]=3 11527 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,2,0,0,0,0|1,0,0]=3 11528 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [0,2,0,0,0,0|1,0,0]=3 11529 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [0,2,0,0,0,0|1,0,0]=3 11530 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [0,2,0,0,0,0|1,0,1]=4 11531 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [0,2,0,0,0,0|1,0,1]=4 11532 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [0,2,0,0,0,0|1,0,1]=4 11533 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [0,2,0,0,0,0|1,0,1]=4 11534 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,2,0,0,0,0|1,0,0]=3 11535 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,2,0,0,0,0|1,0,0]=3 11536 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,2,0,0,0,0|1,0,0]=3 11537 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,2,0,0,0,0|1,0,0]=3 11538 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,2,0,0,0,0|1,0,0]=3 11539 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,2,0,0,0,0|1,0,0]=3 11540 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,2,0,0,0,0|1,0,0]=3 11541 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 11542 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 11543 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 11544 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 11545 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,2,0,0,0,0|1,0,0]=3 11546 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,2,0,0,0,0|1,0,0]=3 11547 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,2,0,0,0,0|1,0,0]=3 11548 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,2,0,0,0,0|1,0,0]=3 11549 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,2,0,0,0,0|1,0,0]=3 11550 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,2,0,0,0,0|1,0,0]=3 11551 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,2,0,0,0,0|1,0,0]=3 11552 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,2,0,0,0,0|1,0,0]=3 11553 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 11554 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 11555 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 11556 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 11557 B10R0.91 CCCNC(=O)CNCCF 2230a_100000174927_100011217306 [0,2,0,0,0,0|2,0,0]=4 11558 B10R0.91 CCCNC(=O)CNCCF 34a_100000724931_100000183358 [0,2,0,0,0,0|2,0,0]=4 11559 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [0,2,0,0,0,0|2,0,0]=4 11560 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [0,2,0,0,0,0|2,0,0]=4 11561 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [0,2,0,0,0,0|2,0,0]=4 11562 B10R0.91 CCCNC(=O)CNCOC 2230a_100000174927_100000766300 [0,2,0,0,0,0|2,0,0]=4 11563 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [0,2,0,0,0,0|2,0,0]=4 11564 B10R0.91 CCCNC(=O)COCCBr 34a_100000211926_100000183358 [0,2,0,0,0,0|2,0,0]=4 11565 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,2,0,0,0,0|1,0,0]=3 11566 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,2,0,0,0,0|1,0,0]=3 11567 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,2,0,0,0,0|1,0,0]=3 11568 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,2,0,0,0,0|1,0,0]=3 11569 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,2,0,0,0,0|1,0,0]=3 11570 B10R0.91 CCCNC(=O)COCCN 34a_100000210304_100000183358 [0,2,0,0,0,0|2,0,0]=4 11571 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [0,2,0,0,0,0|2,0,0]=4 11572 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [0,2,0,0,0,0|2,0,0]=4 11573 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,2,0,0,0,0|1,0,0]=3 11574 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,2,0,0,0,0|1,0,0]=3 11575 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,2,0,0,0,0|1,0,0]=3 11576 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,2,0,0,0,0|1,0,0]=3 11577 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,2,0,0,0,0|1,0,0]=3 11578 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,2,0,0,0,0|1,0,0]=3 11579 B10R0.91 CCCNC(=O)CSCCF 62a_100000183358_100011217306 [0,2,0,0,0,0|2,0,0]=4 11580 B10R0.91 CCCNC(=O)CSCCF 62a_100011217306_100000183358 [0,2,0,0,0,0|2,0,0]=4 11581 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [0,2,0,0,0,0|2,0,0]=4 11582 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [0,2,0,0,0,0|2,0,0]=4 11583 B10R0.91 CCCNC(=O)CSCOC 62a_100000183358_100000766300 [0,2,0,0,0,0|2,0,0]=4 11584 B10R0.91 CCCNC(=O)CSCOC 62a_100000766300_100000183358 [0,2,0,0,0,0|2,0,0]=4 11585 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [0,2,0,0,0,0|2,0,0]=4 11586 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [0,2,0,0,0,0|2,0,0]=4 11587 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [0,2,0,0,0,0|2,0,0]=4 11588 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [0,2,0,0,0,0|2,0,0]=4 11589 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [0,2,0,0,0,0|2,0,0]=4 11590 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [0,2,0,0,0,0|2,0,0]=4 11591 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [0,2,0,0,0,0|2,0,0]=4 11592 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [0,2,0,0,0,0|2,0,0]=4 11593 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [0,2,0,0,0,0|2,0,0]=4 11594 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [0,2,0,0,0,0|2,0,0]=4 11595 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [0,2,0,0,0,0|2,0,0]=4 11596 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [0,2,0,0,0,0|2,0,0]=4 11597 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [0,2,0,0,0,0|2,0,0]=4 11598 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [0,2,0,0,0,0|2,0,0]=4 11599 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [0,2,0,0,0,0|2,0,0]=4 11600 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [0,2,0,0,0,0|2,0,0]=4 11601 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [0,2,0,0,0,0|2,0,0]=4 11602 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [0,2,0,0,0,0|2,0,0]=4 11603 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [0,2,0,0,0,0|2,0,0]=4 11604 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [0,2,0,0,0,0|2,0,0]=4 11605 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [0,2,0,0,0,0|2,0,0]=4 11606 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,2,0,0,0,0|1,0,0]=3 11607 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,2,0,0,0,0|1,0,0]=3 11608 B10R0.91 CCCNNC(=O)CCC#N 22a_100000740057_100011934036 [0,2,0,0,0,0|2,0,0]=4 11609 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [0,2,0,0,0,0|2,0,0]=4 11610 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [0,2,0,0,0,0|2,0,0]=4 11611 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,2,0,0,0,0|2,0,0]=4 11612 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [0,2,0,0,0,0|2,0,0]=4 11613 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [0,2,0,0,0,0|2,0,0]=4 11614 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [0,2,0,0,0,0|2,0,0]=4 11615 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [0,2,0,0,0,0|2,0,0]=4 11616 B10R0.91 CCCNNC(=O)NCCF 273464a_100000724931_100000740057 [0,2,0,0,0,0|2,0,0]=4 11617 B10R0.91 CCCNNC(=O)NCCF 512a_100000740057_100000724931 [0,2,0,0,0,0|2,0,0]=4 11618 B10R0.91 CCCNNC(=O)NCCO 273464a_100000210304_100000740057 [0,2,0,0,0,0|2,0,0]=4 11619 B10R0.91 CCCNNC(=O)NCCO 512a_100000740057_100000210304 [0,2,0,0,0,0|2,0,0]=4 11620 B10R0.91 CCCNNC(=O)NNCC 512a_100000740057_100000756455 [0,2,0,0,0,0|2,0,0]=4 11621 B10R0.91 CCCNNC(=O)NNCC 512a_100000756455_100000740057 [0,2,0,0,0,0|2,0,0]=4 11622 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,2,0,0,0,0|2,0,0]=4 11623 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,2,0,0,0,0|2,0,0]=4 11624 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,2,0,0,0,0|2,0,0]=4 11625 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,2,0,0,0,0|2,0,0]=4 11626 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,2,0,0,0,0|2,0,0]=4 11627 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,2,0,0,0,0|1,0,0]=3 11628 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,2,0,0,0,0|1,0,0]=3 11629 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,2,0,0,0,0|2,0,0]=4 11630 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,2,0,0,0,0|2,0,0]=4 11631 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,2,0,0,0,0|2,0,0]=4 11632 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,2,0,0,0,0|2,0,0]=4 11633 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,2,0,0,0,0|2,0,0]=4 11634 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,2,0,0,0,0|2,0,0]=4 11635 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,2,0,0,0,0|2,0,0]=4 11636 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,2,0,0,0,0|2,0,0]=4 11637 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,2,0,0,0,0|2,0,0]=4 11638 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,2,0,0,0,0|2,0,0]=4 11639 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [0,2,0,0,0,0|1,0,0]=3 11640 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,2,0,0,0,0|1,0,0]=3 11641 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,2,0,0,0,0|1,0,0]=3 11642 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|1,0,0]=3 11643 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,2,0,0,0,0|1,0,0]=3 11644 B10R0.91 CCCOCC(=O)NCC#N 1626a_100000734998_100000745993 [0,2,0,0,0,0|1,0,1]=4 11645 B10R0.91 CCCOCC(=O)NCC#N 527a_100000734998_100000745993 [0,2,0,0,0,0|1,0,1]=4 11646 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,2,0,0,0,0|1,0,0]=3 11647 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,2,0,0,0,0|1,0,0]=3 11648 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,2,0,0,0,0|1,0,0]=3 11649 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,2,0,0,0,0|1,0,0]=3 11650 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,2,0,0,0,0|1,0,0]=3 11651 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,2,0,0,0,0|1,0,0]=3 11652 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [0,2,0,0,0,0|1,0,0]=3 11653 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,2,0,0,0,0|1,0,0]=3 11654 B10R0.91 CCCSCC(=NNCC)C 4a_100000756455_100011343953 [0,2,0,0,0,0|2,0,0]=4 11655 B10R0.91 CCCSCC(=O)CCC#N 1458a_100000217233_100011215226 [0,2,0,0,0,0|1,0,0]=3 11656 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,2,0,0,0,0|1,0,0]=3 11657 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,2,0,0,0,0|1,0,0]=3 11658 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|1,0,0]=3 11659 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,2,0,0,0,0|1,0,0]=3 11660 B10R0.91 CCCSCC(=O)NCC#N 1626a_100000734998_100000217233 [0,2,0,0,0,0|1,0,1]=4 11661 B10R0.91 CCCSCC(=O)NCC#N 527a_100000734998_100000217233 [0,2,0,0,0,0|1,0,1]=4 11662 B10R0.91 CCCSCC(=O)NCC#N 62a_100000210303_100000736037 [0,2,0,0,0,0|1,0,1]=4 11663 B10R0.91 CCCSCC(=O)NCC#N 62a_100000736037_100000210303 [0,2,0,0,0,0|1,0,1]=4 11664 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,2,0,0,0,0|1,0,0]=3 11665 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,2,0,0,0,0|1,0,0]=3 11666 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,2,0,0,0,0|1,0,0]=3 11667 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,2,0,0,0,0|1,0,0]=3 11668 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,2,0,0,0,0|1,0,0]=3 11669 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,2,0,0,0,0|1,0,0]=3 11670 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [0,2,0,0,0,0|1,0,0]=3 11671 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [0,2,0,0,0,0|2,0,0]=4 11672 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [0,2,0,0,0,0|2,0,0]=4 11673 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [0,2,0,0,0,0|2,0,0]=4 11674 B10R0.91 CCNN=C(C)CCCSC 4a_100000756455_100011399439 [0,2,0,0,0,0|2,0,0]=4 11675 B10R0.91 CCNN=C(C)CCOCC 4a_100000756455_200011216536 [0,2,0,0,0,0|2,0,0]=4 11676 B10R0.91 CCNNC(=O)CCCC#N 22a_100000756455_100000075515 [0,2,0,0,0,0|1,0,1]=4 11677 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,2,0,0,0,0|1,0,0]=3 11678 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,2,0,0,0,0|1,0,0]=3 11679 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [0,2,0,0,0,0|1,0,0]=3 11680 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [0,2,0,0,0,0|1,0,0]=3 11681 B10R0.91 CCNNC(=O)NCCCF 273464a_100015189416_100000756455 [0,2,0,0,0,0|2,0,0]=4 11682 B10R0.91 CCNNC(=O)NCCCF 512a_100000756455_100015189416 [0,2,0,0,0,0|2,0,0]=4 11683 B10R0.91 CCNNC(=O)NCCCF 512a_100015189416_100000756455 [0,2,0,0,0,0|2,0,0]=4 11684 B10R0.91 CCNNC(=O)NCCCO 273464a_100000182051_100000756455 [0,2,0,0,0,0|2,0,0]=4 11685 B10R0.91 CCNNC(=O)NCCCO 512a_100000756455_100000182051 [0,2,0,0,0,0|2,0,0]=4 11686 B10R0.91 CCNNC(=O)NCCOC 273464a_100000209980_100000756455 [0,2,0,0,0,0|2,0,0]=4 11687 B10R0.91 CCNNC(=O)NCCSC 273464a_100020590264_100000756455 [0,2,0,0,0,0|2,0,0]=4 11688 B10R0.91 CCNNC(=O)NCCSC 512a_100000756455_100020590264 [0,2,0,0,0,0|2,0,0]=4 11689 B10R0.91 CCNNC(=O)NCCSC 512a_100020590264_100000756455 [0,2,0,0,0,0|2,0,0]=4 11690 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,2,0,0,0,0|1,0,1]=4 11691 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,2,0,0,0,0|1,0,0]=3 11692 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,2,0,0,0,0|1,0,0]=3 11693 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|1,0,0]=3 11694 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,2,0,0,0,0|1,0,0]=3 11695 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 11696 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 11697 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 11698 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 11699 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,2,0,0,0,0|2,0,0]=4 11700 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,2,0,0,0,0|2,0,0]=4 11701 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,2,0,0,0,0|2,0,0]=4 11702 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,2,0,0,0,0|2,0,0]=4 11703 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,2,0,0,0,0|2,0,0]=4 11704 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,2,0,0,0,0|2,0,0]=4 11705 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,2,0,0,0,0|2,0,0]=4 11706 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,2,0,0,0,0|2,0,0]=4 11707 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,2,0,0,0,0|2,0,0]=4 11708 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,2,0,0,0,0|2,0,0]=4 11709 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,2,0,0,0,0|2,0,0]=4 11710 B10R0.91 CCOCCC(=O)C#CCO 1458a_100000049017_100011215890 [0,2,0,0,0,0|1,0,1]=4 11711 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,2,0,0,0,0|1,0,1]=4 11712 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [0,2,0,0,0,0|1,0,0]=3 11713 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [0,2,0,0,0,0|1,0,0]=3 11714 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,2,0,0,0,0|1,0,0]=3 11715 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,2,0,0,0,0|1,0,0]=3 11716 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|1,0,0]=3 11717 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|1,0,0]=3 11718 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,2,0,0,0,0|1,0,0]=3 11719 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,2,0,0,0,0|1,0,0]=3 11720 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,2,0,0,0,0|1,0,0]=3 11721 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,2,0,0,0,0|1,0,0]=3 11722 B10R0.91 CCOCCC(=O)NCC#N 1626a_100000734998_100000749530 [0,2,0,0,0,0|1,0,1]=4 11723 B10R0.91 CCOCCC(=O)NCC#N 527a_100000734998_100000749530 [0,2,0,0,0,0|1,0,1]=4 11724 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,2,0,0,0,0|1,0,0]=3 11725 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,2,0,0,0,0|1,0,0]=3 11726 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,2,0,0,0,0|1,0,0]=3 11727 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,2,0,0,0,0|1,0,0]=3 11728 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,2,0,0,0,0|1,0,0]=3 11729 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,2,0,0,0,0|1,0,0]=3 11730 B10R0.91 CCSCC(=O)CCCC#N 1458a_100000230394_100000211468 [0,2,0,0,0,0|1,0,1]=4 11731 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,2,0,0,0,0|1,0,0]=3 11732 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,2,0,0,0,0|1,0,0]=3 11733 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,2,0,0,0,0|1,0,0]=3 11734 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [0,2,0,0,0,0|2,0,0]=4 11735 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [0,2,0,0,0,0|2,0,0]=4 11736 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [0,2,0,0,0,0|2,0,0]=4 11737 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [0,2,0,0,0,0|2,0,0]=4 11738 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [0,2,0,0,0,0|2,0,0]=4 11739 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [0,2,0,0,0,0|2,0,0]=4 11740 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [0,2,0,0,0,0|2,0,0]=4 11741 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [0,2,0,0,0,0|2,0,0]=4 11742 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [0,2,0,0,0,0|2,0,0]=4 11743 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [0,2,0,0,0,0|2,0,0]=4 11744 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [0,2,0,0,0,0|2,0,0]=4 11745 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [0,2,0,0,0,0|2,0,0]=4 11746 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [0,2,0,0,0,0|2,0,0]=4 11747 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [0,2,0,0,0,0|2,0,0]=4 11748 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [0,2,0,0,0,0|2,0,0]=4 11749 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [0,2,0,0,0,0|2,0,0]=4 11750 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [0,2,0,0,0,0|2,0,0]=4 11751 B10R0.91 CCSCCC(=O)C#CCO 1458a_100000049017_100000757381 [0,2,0,0,0,0|1,0,1]=4 11752 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,2,0,0,0,0|1,0,1]=4 11753 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [0,2,0,0,0,0|1,0,0]=3 11754 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [0,2,0,0,0,0|1,0,0]=3 11755 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,2,0,0,0,0|1,0,0]=3 11756 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,2,0,0,0,0|1,0,0]=3 11757 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|1,0,0]=3 11758 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|1,0,0]=3 11759 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,2,0,0,0,0|1,0,0]=3 11760 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,2,0,0,0,0|1,0,0]=3 11761 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,2,0,0,0,0|1,0,0]=3 11762 B10R0.91 CCSCCC(=O)NCC#N 1626a_100000734998_100000230768 [0,2,0,0,0,0|1,0,1]=4 11763 B10R0.91 CCSCCC(=O)NCC#N 527a_100000734998_100000230768 [0,2,0,0,0,0|1,0,1]=4 11764 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,2,0,0,0,0|1,0,0]=3 11765 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,2,0,0,0,0|1,0,0]=3 11766 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,2,0,0,0,0|1,0,0]=3 11767 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,2,0,0,0,0|1,0,0]=3 11768 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,2,0,0,0,0|1,0,0]=3 11769 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,2,0,0,0,0|1,0,0]=3 11770 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,2,0,0,0,0|1,0,1]=4 11771 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,2,0,0,0,0|1,0,1]=4 11772 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,2,0,0,0,0|1,0,1]=4 11773 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [0,2,0,0,0,0|1,0,1]=4 11774 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [0,2,0,0,0,0|1,0,1]=4 11775 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|1,0,0]=3 11776 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|1,0,0]=3 11777 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|1,0,0]=3 11778 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|1,0,0]=3 11779 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,2,0,0,0,0|2,0,0]=4 11780 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [0,2,0,0,0,0|2,0,0]=4 11781 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [0,2,0,0,0,0|2,0,0]=4 11782 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [0,2,0,0,0,0|2,0,0]=4 11783 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [0,2,0,0,0,0|2,0,0]=4 11784 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,2,0,0,0,0|2,0,0]=4 11785 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,2,0,0,0,0|2,0,0]=4 11786 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,2,0,0,0,0|2,0,0]=4 11787 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,2,0,0,0,0|2,0,0]=4 11788 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,2,0,0,0,0|2,0,0]=4 11789 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,2,0,0,0,0|2,0,0]=4 11790 B10R0.91 COCCCC(=O)C#CCO 1458a_100000049017_100000740836 [0,2,0,0,0,0|1,0,1]=4 11791 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [0,2,0,0,0,0|1,0,0]=3 11792 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [0,2,0,0,0,0|1,0,0]=3 11793 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,2,0,0,0,0|1,0,0]=3 11794 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,2,0,0,0,0|1,0,0]=3 11795 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|1,0,0]=3 11796 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|1,0,0]=3 11797 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,2,0,0,0,0|1,0,0]=3 11798 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,2,0,0,0,0|1,0,0]=3 11799 B10R0.91 COCCCC(=O)NCC#N 1626a_100000734998_100000741012 [0,2,0,0,0,0|1,0,1]=4 11800 B10R0.91 COCCCC(=O)NCC#N 527a_100000734998_100000741012 [0,2,0,0,0,0|1,0,1]=4 11801 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,2,0,0,0,0|1,0,0]=3 11802 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,2,0,0,0,0|1,0,0]=3 11803 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,2,0,0,0,0|1,0,0]=3 11804 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,2,0,0,0,0|1,0,0]=3 11805 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,2,0,0,0,0|1,0,0]=3 11806 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,2,0,0,0,0|1,0,0]=3 11807 B10R0.91 COCCNC(=O)CCC#N 1626a_100000209980_100011934036 [0,2,0,0,0,0|2,0,0]=4 11808 B10R0.91 COCCNC(=O)CCC#N 240690a_100000209980_100011934036 [0,2,0,0,0,0|2,0,0]=4 11809 B10R0.91 COCCNC(=O)CCC#N 527a_100000209980_100011934036 [0,2,0,0,0,0|2,0,0]=4 11810 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,2,0,0,0,0|2,0,0]=4 11811 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,2,0,0,0,0|2,0,0]=4 11812 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,2,0,0,0,0|2,0,0]=4 11813 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [0,2,0,0,0,0|2,0,0]=4 11814 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [0,2,0,0,0,0|2,0,0]=4 11815 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [0,2,0,0,0,0|2,0,0]=4 11816 B10R0.91 COCCNC(=O)CSCF 62a_100000183275_100015361967 [0,2,0,0,0,0|2,0,0]=4 11817 B10R0.91 COCCNC(=O)CSCF 62a_100015361967_100000183275 [0,2,0,0,0,0|2,0,0]=4 11818 B10R0.91 COCCNC(=O)NCCF 273464a_100000209980_100000724931 [0,2,0,0,0,0|2,0,0]=4 11819 B10R0.91 COCCNC(=O)NCCF 273464a_100000724931_100000209980 [0,2,0,0,0,0|2,0,0]=4 11820 B10R0.91 COCCNC(=O)NCCO 273464a_100000209980_100000210304 [0,2,0,0,0,0|2,0,0]=4 11821 B10R0.91 COCCNC(=O)NCCO 273464a_100000210304_100000209980 [0,2,0,0,0,0|2,0,0]=4 11822 B10R0.91 COCCOC(=O)CSCF 62a_100015361967_200000040189 [0,2,0,0,0,0|2,0,0]=4 11823 B10R0.91 COCCOC(=O)CSCF 62a_200000040189_100015361967 [0,2,0,0,0,0|2,0,0]=4 11824 B10R0.91 COCNCC(=O)NCCF 2230a_100000725713_100000766300 [0,2,0,0,0,0|2,0,0]=4 11825 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [0,2,0,0,0,0|1,0,1]=4 11826 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [0,2,0,0,0,0|1,0,1]=4 11827 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,2,0,0,0,0|1,0,0]=3 11828 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,2,0,0,0,0|1,0,0]=3 11829 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,2,0,0,0,0|1,0,0]=3 11830 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,2,0,0,0,0|2,0,0]=4 11831 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [0,2,0,0,0,0|2,0,0]=4 11832 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [0,2,0,0,0,0|2,0,0]=4 11833 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [0,2,0,0,0,0|2,0,0]=4 11834 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [0,2,0,0,0,0|2,0,0]=4 11835 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [0,2,0,0,0,0|2,0,0]=4 11836 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [0,2,0,0,0,0|2,0,0]=4 11837 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [0,2,0,0,0,0|1,0,0]=3 11838 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,2,0,0,0,0|1,0,0]=3 11839 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,2,0,0,0,0|1,0,0]=3 11840 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,2,0,0,0,0|1,0,0]=3 11841 B10R0.91 CSCCCC(=O)NCC#N 1626a_100000734998_100000173376 [0,2,0,0,0,0|1,0,1]=4 11842 B10R0.91 CSCCCC(=O)NCC#N 527a_100000734998_100000173376 [0,2,0,0,0,0|1,0,1]=4 11843 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 11844 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 11845 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 11846 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 11847 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,2,0,0,0,0|1,0,0]=3 11848 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,2,0,0,0,0|1,0,0]=3 11849 B10R0.91 CSCCNC(=O)CCC#N 11a_100020590264_100011934036 [0,2,0,0,0,0|2,0,0]=4 11850 B10R0.91 CSCCNC(=O)CCC#N 1626a_100020590264_100011934036 [0,2,0,0,0,0|2,0,0]=4 11851 B10R0.91 CSCCNC(=O)CCC#N 240690a_100020590264_100011934036 [0,2,0,0,0,0|2,0,0]=4 11852 B10R0.91 CSCCNC(=O)CCC#N 527a_100020590264_100011934036 [0,2,0,0,0,0|2,0,0]=4 11853 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [0,2,0,0,0,0|2,0,0]=4 11854 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [0,2,0,0,0,0|2,0,0]=4 11855 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [0,2,0,0,0,0|2,0,0]=4 11856 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [0,2,0,0,0,0|2,0,0]=4 11857 B10R0.91 CSCCNC(=O)NCCF 2708a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 11858 B10R0.91 CSCCNC(=O)NCCF 273464a_100000724931_100020590264 [0,2,0,0,0,0|2,0,0]=4 11859 B10R0.91 CSCCNC(=O)NCCF 273464a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 11860 B10R0.91 CSCCNC(=O)NCCF 512a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 11861 B10R0.91 CSCCNC(=O)NCCO 2708a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 11862 B10R0.91 CSCCNC(=O)NCCO 273464a_100000210304_100020590264 [0,2,0,0,0,0|2,0,0]=4 11863 B10R0.91 CSCCNC(=O)NCCO 273464a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 11864 B10R0.91 CSCCNC(=O)NCCO 512a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 11865 B10R0.91 CSCNCC(=O)NCCF 2230a_100000725713_100011218213 [0,2,0,0,0,0|2,0,0]=4 11866 B10R0.91 N#CCCC(=O)CCCCF 1458a_100011934036_100000729493 [0,2,0,0,0,0|1,0,0]=3 11867 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [0,2,0,0,0,0|1,0,0]=3 11868 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [0,2,0,0,0,0|1,0,0]=3 11869 B10R0.91 N#CCCC(=O)COCCO 1458a_100000708028_100011215226 [0,2,0,0,0,0|2,0,0]=4 11870 B10R0.91 N#CCCC(=O)NCCCF 11a_100015189416_100011934036 [0,2,0,0,0,0|2,0,0]=4 11871 B10R0.91 N#CCCC(=O)NCCCF 1626a_100015189416_100011934036 [0,2,0,0,0,0|2,0,0]=4 11872 B10R0.91 N#CCCC(=O)NCCCF 240690a_100015189416_100011934036 [0,2,0,0,0,0|2,0,0]=4 11873 B10R0.91 N#CCCC(=O)NCCCF 527a_100015189416_100011934036 [0,2,0,0,0,0|2,0,0]=4 11874 B10R0.91 N#CCCC(=O)NCCCO 240690a_100000182051_100011934036 [0,2,0,0,0,0|2,0,0]=4 11875 B10R0.91 N#CCCC(=O)NCCCO 527a_100000182051_100011934036 [0,2,0,0,0,0|2,0,0]=4 11876 B10R0.91 N#CCCCC(=O)CCC#N 1458a_100000075515_100011215226 [0,2,0,0,0,0|1,0,1]=4 11877 B10R0.91 N#CCCCC(=O)CCC#N 1458a_100011934036_100000211468 [0,2,0,0,0,0|1,0,1]=4 11878 B10R0.91 N#CCCCC(=O)CCCF 1458a_100000075515_100011934791 [0,2,0,0,0,0|1,0,1]=4 11879 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [0,2,0,0,0,0|1,0,1]=4 11880 B10R0.91 N#CCCCC(=O)NCCF 11a_100000724931_100000075515 [0,2,0,0,0,0|1,0,1]=4 11881 B10R0.91 N#CCCCC(=O)NCCF 1626a_100000724931_100000075515 [0,2,0,0,0,0|1,0,1]=4 11882 B10R0.91 N#CCCCC(=O)NCCF 240690a_100000724931_100000075515 [0,2,0,0,0,0|1,0,1]=4 11883 B10R0.91 N#CCCCC(=O)NCCF 527a_100000724931_100000075515 [0,2,0,0,0,0|1,0,1]=4 11884 B10R0.91 N#CCCCC(=O)NCCO 240690a_100000210304_100000075515 [0,2,0,0,0,0|1,0,1]=4 11885 B10R0.91 N#CCCCC(=O)NCCO 527a_100000210304_100000075515 [0,2,0,0,0,0|1,0,1]=4 11886 B10R0.91 N#CCNC(=O)CCCCO 1626a_100000734998_100000695505 [0,2,0,0,0,0|1,0,1]=4 11887 B10R0.91 O=C(C#CCO)CCCCF 1458a_100000049017_100000729493 [0,2,0,0,0,0|1,0,1]=4 11888 B10R0.91 O=C(C#CCO)CCCCO 1458a_100000049017_100000210776 [0,2,0,0,0,0|1,0,1]=4 11889 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,2,0,0,0,0|1,0,0]=3 11890 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,2,0,0,0,0|1,0,0]=3 11891 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,2,0,0,0,0|2,0,0]=4 11892 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,2,0,0,0,0|1,0,0]=3 11893 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,2,0,0,0,0|2,0,0]=4 11894 B10R0.91 O=C(CNCCF)NCCF 2230a_100000725713_100011217306 [0,2,0,0,0,0|2,0,0]=4 11895 B10R0.91 O=C(CNCCO)NCCF 2230a_100000725713_100000211926 [0,2,0,0,0,0|2,0,0]=4 11896 B10R0.91 O=C(COCCO)NCCF 1626a_100000724931_100000708028 [0,2,0,0,0,0|2,0,0]=4 11897 B10R0.91 O=C(COCCO)NCCF 240690a_100000724931_100000708028 [0,2,0,0,0,0|2,0,0]=4 11898 B10R0.91 O=C(COCCO)NCCO 240690a_100000210304_100000708028 [0,2,0,0,0,0|2,0,0]=4 11899 B10R0.91 O=C(NCCF)NCCCF 2708a_100015189416_100000724931 [0,2,0,0,0,0|2,0,0]=4 11900 B10R0.91 O=C(NCCF)NCCCF 273464a_100000724931_100015189416 [0,2,0,0,0,0|2,0,0]=4 11901 B10R0.91 O=C(NCCF)NCCCF 273464a_100015189416_100000724931 [0,2,0,0,0,0|2,0,0]=4 11902 B10R0.91 O=C(NCCF)NCCCF 512a_100015189416_100000724931 [0,2,0,0,0,0|2,0,0]=4 11903 B10R0.91 O=C(NCCF)NCCCO 273464a_100000182051_100000724931 [0,2,0,0,0,0|2,0,0]=4 11904 B10R0.91 O=C(NCCF)NCCCO 273464a_100000724931_100000182051 [0,2,0,0,0,0|2,0,0]=4 11905 B10R0.91 O=C(NCCO)NCCCF 2708a_100015189416_100000210304 [0,2,0,0,0,0|2,0,0]=4 11906 B10R0.91 O=C(NCCO)NCCCF 273464a_100000210304_100015189416 [0,2,0,0,0,0|2,0,0]=4 11907 B10R0.91 O=C(NCCO)NCCCF 273464a_100015189416_100000210304 [0,2,0,0,0,0|2,0,0]=4 11908 B10R0.91 O=C(NCCO)NCCCF 512a_100015189416_100000210304 [0,2,0,0,0,0|2,0,0]=4 11909 B10R0.91 O=C(NCCO)NCCCO 273464a_100000182051_100000210304 [0,2,0,0,0,0|2,0,0]=4 11910 B10R0.91 O=C(NCCO)NCCCO 273464a_100000210304_100000182051 [0,2,0,0,0,0|2,0,0]=4 11911 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [0,2,0,0,0,0|0,0,1]=3 11912 B10R0.108 C#CCC(=O)CCN(C)CC 1458a_100000755305_100000184674 [0,2,0,0,0,0|1,0,1]=4 11913 B10R0.108 C#CCC(=O)CCS(=O)CC 1458a_100011387550_100000184674 [0,2,0,0,0,0|1,0,1]=4 11914 B10R0.108 C#CCC(=O)NCC(C)CC 1626a_100020588543_100011220946 [0,2,0,0,0,0|1,0,1]=4 11915 B10R0.108 C#CCC(=O)NCC(C)CC 527a_100020588543_100011220946 [0,2,0,0,0,0|1,0,1]=4 11916 B10R0.108 C#CCC(=O)NCC(O)CC 527a_100011218483_100011220946 [0,2,0,0,0,0|1,0,1]=4 11917 B10R0.108 C#CCC(C)OCC(=O)CC 7a_100000685586_100000747405 [0,2,0,0,0,0|0,0,2]=4 11918 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,2,0,0,0,0|0,0,1]=3 11919 B10R0.108 C=CCC(=O)CCN(C)CC 1458a_100000755305_100000210623 [0,2,0,0,0,0|1,0,1]=4 11920 B10R0.108 C=CCC(=O)CCS(=O)CC 1458a_100011387550_100000210623 [0,2,0,0,0,0|1,0,1]=4 11921 B10R0.108 C=CCC(=O)NCC(C)CC 11a_100020588543_100000210193 [0,2,0,0,0,0|1,0,1]=4 11922 B10R0.108 C=CCC(=O)NCC(C)CC 1626a_100020588543_100000210193 [0,2,0,0,0,0|1,0,1]=4 11923 B10R0.108 C=CCC(=O)NCC(C)CC 240690a_100020588543_100000210193 [0,2,0,0,0,0|1,0,1]=4 11924 B10R0.108 C=CCC(=O)NCC(C)CC 527a_100020588543_100000210193 [0,2,0,0,0,0|1,0,1]=4 11925 B10R0.108 C=CCC(=O)NCC(O)CC 11a_100011218483_100000210193 [0,2,0,0,0,0|1,0,1]=4 11926 B10R0.108 C=CCC(=O)NCC(O)CC 240690a_100011218483_100000210193 [0,2,0,0,0,0|1,0,1]=4 11927 B10R0.108 C=CCC(=O)NCC(O)CC 527a_100011218483_100000210193 [0,2,0,0,0,0|1,0,1]=4 11928 B10R0.108 C=CC[C@@H](C)OCC(=O)CC 7a_100000731007_100000747405 [0,2,0,0,0,0|0,0,2]=4 11929 B10R0.108 CC(CO)CNC(=O)CCO 240690a_100000744482_100011216618 [0,2,0,0,0,0|2,0,0]=4 11930 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,2,0,0,0,0|1,0,1]=4 11931 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,2,0,0,0,0|1,0,1]=4 11932 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,2,0,0,0,0|1,0,1]=4 11933 B10R0.108 CC=CC(=O)NCC(O)CC 11a_100011218483_100000210699 [0,2,0,0,0,0|1,0,1]=4 11934 B10R0.108 CC=CC(=O)NCC(O)CC 240690a_100011218483_100000210699 [0,2,0,0,0,0|1,0,1]=4 11935 B10R0.108 CCC(=O)COC(C)CCO 34a_100000725409_100009893172 [0,2,0,0,0,0|1,0,0]=3 11936 B10R0.108 CCC(=O)COC(C)COC 34a_100000725409_100000765312 [0,2,0,0,0,0|1,0,0]=3 11937 B10R0.108 CCC(=O)CSC(C)CC#N 62a_100000747405_100009813641 [0,2,0,0,0,0|1,0,1]=4 11938 B10R0.108 CCC(=O)CSC(C)CC#N 62a_100009813641_100000747405 [0,2,0,0,0,0|1,0,1]=4 11939 B10R0.108 CCC(=O)CSC(C)CCO 62a_100000747405_100009893172 [0,2,0,0,0,0|1,0,0]=3 11940 B10R0.108 CCC(=O)CSC(C)CCO 62a_100009893172_100000747405 [0,2,0,0,0,0|1,0,0]=3 11941 B10R0.108 CCC(=O)CSC(C)COC 62a_100000747405_100000765312 [0,2,0,0,0,0|1,0,0]=3 11942 B10R0.108 CCC(=O)CSC(C)COC 62a_100000765312_100000747405 [0,2,0,0,0,0|1,0,0]=3 11943 B10R0.108 CCC(=O)NCC(=O)CCF 1458a_100000194589_100011217306 [0,2,0,0,0,0|1,0,1]=4 11944 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [0,2,0,0,0,0|1,0,1]=4 11945 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,2,0,0,0,0|1,0,0]=3 11946 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,2,0,0,0,0|1,0,0]=3 11947 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [0,2,0,0,0,0|0,0,1]=3 11948 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|0,0,0]=2 11949 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|0,0,0]=2 11950 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,2,0,0,0,0|1,0,0]=3 11951 B10R0.108 CCC(C)CNC(=O)CC#N 1626a_100020588543_100051588842 [0,2,0,0,0,0|1,0,1]=4 11952 B10R0.108 CCC(C)CNC(=O)CC#N 240690a_100020588543_100051588842 [0,2,0,0,0,0|1,0,1]=4 11953 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,2,0,0,0,0|1,0,0]=3 11954 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,2,0,0,0,0|1,0,0]=3 11955 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,2,0,0,0,0|1,0,0]=3 11956 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,2,0,0,0,0|1,0,0]=3 11957 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,2,0,0,0,0|1,0,0]=3 11958 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,2,0,0,0,0|1,0,0]=3 11959 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,2,0,0,0,0|1,0,0]=3 11960 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,2,0,0,0,0|1,0,0]=3 11961 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,2,0,0,0,0|1,0,0]=3 11962 B10R0.108 CCC(C)CNC(=O)NNC 273464a_100020588543_100016993582 [0,2,0,0,0,0|2,0,0]=4 11963 B10R0.108 CCC(C)CNC(=O)NNC 512a_100016993582_100020588543 [0,2,0,0,0,0|2,0,0]=4 11964 B10R0.108 CCC(C)CNC(=O)NNC 512a_100020588543_100016993582 [0,2,0,0,0,0|2,0,0]=4 11965 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,2,0,0,0,0|2,0,0]=4 11966 B10R0.108 CCC(C)NNC(=O)CCO 22a_100000718999_100011216618 [0,2,0,0,0,0|2,0,0]=4 11967 B10R0.108 CCC(C)NNC(=O)COC 22a_100000718999_100000210968 [0,2,0,0,0,0|2,0,0]=4 11968 B10R0.108 CCC(C)NNC(=O)CSC 22a_100000718999_100000184570 [0,2,0,0,0,0|2,0,0]=4 11969 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,2,0,0,0,0|2,0,0]=4 11970 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,2,0,0,0,0|2,0,0]=4 11971 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,2,0,0,0,0|2,0,0]=4 11972 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,2,0,0,0,0|1,0,0]=3 11973 B10R0.108 CCC(O)CNC(=O)CC#N 240690a_100011218483_100051588842 [0,2,0,0,0,0|1,0,1]=4 11974 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,2,0,0,0,0|1,0,0]=3 11975 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,2,0,0,0,0|1,0,0]=3 11976 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,2,0,0,0,0|1,0,0]=3 11977 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,2,0,0,0,0|1,0,0]=3 11978 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,2,0,0,0,0|1,0,0]=3 11979 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,2,0,0,0,0|1,0,0]=3 11980 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,2,0,0,0,0|1,0,0]=3 11981 B10R0.108 CCC(O)CNC(=O)NNC 273464a_100011218483_100016993582 [0,2,0,0,0,0|2,0,0]=4 11982 B10R0.108 CCC(O)CNC(=O)NNC 512a_100011218483_100016993582 [0,2,0,0,0,0|2,0,0]=4 11983 B10R0.108 CCCC(=NNC(=O)CC)C 4a_100000183195_100000211909 [0,2,0,0,0,0|1,0,1]=4 11984 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|1,0,0]=3 11985 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,0,0]=3 11986 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|0,0,0]=2 11987 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,2,0,0,0,0|1,0,0]=3 11988 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,2,0,0,0,0|1,0,0]=3 11989 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,2,0,0,0,0|0,0,1]=3 11990 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,2,0,0,0,0|1,0,1]=4 11991 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,2,0,0,0,0|1,0,0]=3 11992 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,2,0,0,0,0|2,0,0]=4 11993 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,2,0,0,0,0|1,0,0]=3 11994 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [0,2,0,0,0,0|2,0,0]=4 11995 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,2,0,0,0,0|1,0,0]=3 11996 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,2,0,0,0,0|1,0,0]=3 11997 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,2,0,0,0,0|2,0,0]=4 11998 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,2,0,0,0,0|2,0,0]=4 11999 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,2,0,0,0,0|2,0,0]=4 12000 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,2,0,0,0,0|2,0,0]=4 12001 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,2,0,0,0,0|2,0,0]=4 12002 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 12003 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 12004 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 12005 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|1,0,1]=4 12006 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,2,0,0,0,0|1,0,0]=3 12007 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,2,0,0,0,0|1,0,0]=3 12008 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,2,0,0,0,0|1,0,0]=3 12009 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,2,0,0,0,0|1,0,0]=3 12010 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,2,0,0,0,0|2,0,0]=4 12011 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,2,0,0,0,0|2,0,0]=4 12012 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,2,0,0,0,0|1,0,0]=3 12013 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,2,0,0,0,0|1,0,0]=3 12014 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,2,0,0,0,0|1,0,0]=3 12015 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,2,0,0,0,0|2,0,0]=4 12016 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,2,0,0,0,0|2,0,0]=4 12017 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,2,0,0,0,0|2,0,0]=4 12018 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,2,0,0,0,0|2,0,0]=4 12019 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,2,0,0,0,0|2,0,0]=4 12020 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,2,0,0,0,0|2,0,0]=4 12021 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,2,0,0,0,0|2,0,0]=4 12022 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,2,0,0,0,0|2,0,0]=4 12023 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [0,2,0,0,0,0|1,0,1]=4 12024 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [0,2,0,0,0,0|1,0,1]=4 12025 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [0,2,0,0,0,0|2,0,0]=4 12026 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,2,0,0,0,0|0,0,1]=3 12027 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,2,0,0,0,0|1,0,1]=4 12028 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [0,2,0,0,0,0|2,0,0]=4 12029 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [0,2,0,0,0,0|2,0,0]=4 12030 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [0,2,0,0,0,0|1,0,1]=4 12031 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [0,2,0,0,0,0|1,0,1]=4 12032 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,2,0,0,0,0|1,0,1]=4 12033 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,2,0,0,0,0|1,0,1]=4 12034 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,2,0,0,0,0|1,0,1]=4 12035 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [0,2,0,0,0,0|1,0,1]=4 12036 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [0,2,0,0,0,0|1,0,1]=4 12037 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [0,2,0,0,0,0|1,0,0]=3 12038 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [0,2,0,0,0,0|1,0,0]=3 12039 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [0,2,0,0,0,0|1,0,0]=3 12040 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|1,0,0]=3 12041 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [0,2,0,0,0,0|1,0,1]=4 12042 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [0,2,0,0,0,0|1,0,1]=4 12043 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [0,2,0,0,0,0|1,0,1]=4 12044 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [0,2,0,0,0,0|1,0,1]=4 12045 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [0,2,0,0,0,0|0,0,2]=4 12046 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [0,2,0,0,0,0|0,0,2]=4 12047 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [0,2,0,0,0,0|0,0,2]=4 12048 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [0,2,0,0,0,0|1,0,1]=4 12049 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|0,0,0]=2 12050 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|0,0,0]=2 12051 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [0,2,0,0,0,0|1,0,0]=3 12052 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [0,2,0,0,0,0|1,0,0]=3 12053 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [0,2,0,0,0,0|1,0,0]=3 12054 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|1,0,0]=3 12055 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|1,0,0]=3 12056 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,2,0,0,0,0|1,0,1]=4 12057 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,2,0,0,0,0|1,0,1]=4 12058 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,2,0,0,0,0|0,0,2]=4 12059 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,2,0,0,0,0|0,0,2]=4 12060 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,2,0,0,0,0|1,0,1]=4 12061 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,2,0,0,0,0|1,0,1]=4 12062 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,2,0,0,0,0|1,0,1]=4 12063 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,2,0,0,0,0|0,0,0]=2 12064 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,2,0,0,0,0|0,0,0]=2 12065 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [0,2,0,0,0,0|1,0,0]=3 12066 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [0,2,0,0,0,0|1,0,0]=3 12067 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|1,0,0]=3 12068 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|1,0,0]=3 12069 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [0,2,0,0,0,0|1,0,1]=4 12070 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [0,2,0,0,0,0|1,0,1]=4 12071 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [0,2,0,0,0,0|0,0,2]=4 12072 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [0,2,0,0,0,0|0,0,2]=4 12073 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [0,2,0,0,0,0|1,0,1]=4 12074 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [0,2,0,0,0,0|1,0,1]=4 12075 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [0,2,0,0,0,0|1,0,0]=3 12076 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [0,2,0,0,0,0|1,0,0]=3 12077 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [0,2,0,0,0,0|1,0,0]=3 12078 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [0,2,0,0,0,0|1,0,0]=3 12079 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|1,0,0]=3 12080 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|1,0,0]=3 12081 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|1,0,0]=3 12082 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,2,0,0,0,0|1,0,1]=4 12083 B10R0.108 CCN(C)CCC(=O)CC#N 1458a_100000755305_100011214920 [0,2,0,0,0,0|1,0,1]=4 12084 B10R0.108 CCN(C)CCC(=O)CCF 1458a_100000755305_100011217306 [0,2,0,0,0,0|1,0,0]=3 12085 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,2,0,0,0,0|1,0,0]=3 12086 B10R0.108 CCN(C)CCC(=O)NNC 22a_100016993582_100000755305 [0,2,0,0,0,0|2,0,0]=4 12087 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|0,0,1]=3 12088 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,2,0,0,0,0|1,0,1]=4 12089 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 12090 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,2,0,0,0,0|1,0,1]=4 12091 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,2,0,0,0,0|1,0,1]=4 12092 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 12093 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,2,0,0,0,0|1,0,1]=4 12094 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 12095 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 12096 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 12097 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 12098 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|0,0,0]=2 12099 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|0,0,0]=2 12100 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|0,0,0]=2 12101 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|0,0,0]=2 12102 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,2,0,0,0,0|1,0,0]=3 12103 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,2,0,0,0,0|1,0,0]=3 12104 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,2,0,0,0,0|1,0,0]=3 12105 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,2,0,0,0,0|1,0,0]=3 12106 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,2,0,0,0,0|1,0,0]=3 12107 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,2,0,0,0,0|1,0,0]=3 12108 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,2,0,0,0,0|1,0,1]=4 12109 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,2,0,0,0,0|1,0,1]=4 12110 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,2,0,0,0,0|1,0,1]=4 12111 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,2,0,0,0,0|1,0,1]=4 12112 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,2,0,0,0,0|1,0,1]=4 12113 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,2,0,0,0,0|1,0,1]=4 12114 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,2,0,0,0,0|1,0,1]=4 12115 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,2,0,0,0,0|1,0,0]=3 12116 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,2,0,0,0,0|1,0,0]=3 12117 B10R0.108 CCNC(=O)CNC(C)CO 2230a_100016988866_100012180447 [0,2,0,0,0,0|2,0,0]=4 12118 B10R0.108 CCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183381 [0,2,0,0,0,0|2,0,0]=4 12119 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,2,0,0,0,0|1,0,0]=3 12120 B10R0.108 CCNC(=O)COC(C)CF 34a_100016041109_100000183381 [0,2,0,0,0,0|2,0,0]=4 12121 B10R0.108 CCNC(=O)COC(C)CF 7a_100016041109_100000183381 [0,2,0,0,0,0|2,0,0]=4 12122 B10R0.108 CCNC(=O)COC(C)CN 34a_100000210904_100000183381 [0,2,0,0,0,0|2,0,0]=4 12123 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,2,0,0,0,0|1,0,0]=3 12124 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,2,0,0,0,0|1,0,0]=3 12125 B10R0.108 CCNC(=O)CSC(C)CO 62a_100012180447_100000183381 [0,2,0,0,0,0|2,0,0]=4 12126 B10R0.108 CCNC(=O)CSC(C)OC 62a_100000183381_100009879195 [0,2,0,0,0,0|2,0,0]=4 12127 B10R0.108 CCNC(=O)CSC(C)OC 62a_100009879195_100000183381 [0,2,0,0,0,0|2,0,0]=4 12128 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100000183381_100016084084 [0,2,0,0,0,0|2,0,0]=4 12129 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183381 [0,2,0,0,0,0|2,0,0]=4 12130 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,2,0,0,0,0|1,0,0]=3 12131 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,2,0,0,0,0|1,0,0]=3 12132 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,2,0,0,0,0|1,0,0]=3 12133 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,2,0,0,0,0|1,0,0]=3 12134 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,2,0,0,0,0|1,0,0]=3 12135 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,2,0,0,0,0|1,0,0]=3 12136 B10R0.108 CCNC(=O)NCC(C)CO 2708a_100015525214_100000744482 [0,2,0,0,0,0|2,0,0]=4 12137 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100000744482_100015525214 [0,2,0,0,0,0|2,0,0]=4 12138 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100015525214_100000744482 [0,2,0,0,0,0|2,0,0]=4 12139 B10R0.108 CCNC(=O)NCC(C)CO 512a_100000744482_100015525214 [0,2,0,0,0,0|2,0,0]=4 12140 B10R0.108 CCNC(=O)NCC(C)CO 512a_100015525214_100000744482 [0,2,0,0,0,0|2,0,0]=4 12141 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,2,0,0,0,0|1,0,0]=3 12142 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,2,0,0,0,0|1,0,0]=3 12143 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,2,0,0,0,0|1,0,0]=3 12144 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,2,0,0,0,0|1,0,0]=3 12145 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,2,0,0,0,0|2,0,0]=4 12146 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,2,0,0,0,0|2,0,0]=4 12147 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,2,0,0,0,0|2,0,0]=4 12148 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,2,0,0,0,0|2,0,0]=4 12149 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,2,0,0,0,0|2,0,0]=4 12150 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,2,0,0,0,0|2,0,0]=4 12151 B10R0.108 CCNC(=O)NC[C@@H](F)CO 2708a_100015525214_100015665980 [0,2,0,0,0,0|2,0,0]=4 12152 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015525214_100015665980 [0,2,0,0,0,0|2,0,0]=4 12153 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100015525214 [0,2,0,0,0,0|2,0,0]=4 12154 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015525214_100015665980 [0,2,0,0,0,0|2,0,0]=4 12155 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100015525214 [0,2,0,0,0,0|2,0,0]=4 12156 B10R0.108 CCNC(=O)NC[C@H](O)CO 2708a_100015525214_100020644852 [0,2,0,0,0,0|2,0,0]=4 12157 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100015525214_100020644852 [0,2,0,0,0,0|2,0,0]=4 12158 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100015525214 [0,2,0,0,0,0|2,0,0]=4 12159 B10R0.108 CCNC(=O)NNC(C)CC 273464a_100015525214_100000718999 [0,2,0,0,0,0|2,0,0]=4 12160 B10R0.108 CCNC(=O)NNC(C)CC 512a_100000718999_100015525214 [0,2,0,0,0,0|2,0,0]=4 12161 B10R0.108 CCNC(=O)NNC(C)CC 512a_100015525214_100000718999 [0,2,0,0,0,0|2,0,0]=4 12162 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|0,0,1]=3 12163 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,2,0,0,0,0|1,0,1]=4 12164 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|1,0,1]=4 12165 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 12166 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 12167 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|1,0,0]=3 12168 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|1,0,0]=3 12169 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|1,0,0]=3 12170 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|1,0,0]=3 12171 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|1,0,0]=3 12172 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|1,0,0]=3 12173 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|1,0,0]=3 12174 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|1,0,0]=3 12175 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|1,0,0]=3 12176 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|1,0,0]=3 12177 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|1,0,0]=3 12178 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|1,0,0]=3 12179 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|1,0,0]=3 12180 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|1,0,0]=3 12181 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,2,0,0,0,0|2,0,0]=4 12182 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|1,0,0]=3 12183 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|1,0,0]=3 12184 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,2,0,0,0,0|1,0,1]=4 12185 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|1,0,0]=3 12186 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,2,0,0,0,0|2,0,0]=4 12187 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|1,0,0]=3 12188 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,2,0,0,0,0|2,0,0]=4 12189 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,2,0,0,0,0|2,0,0]=4 12190 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 12191 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|1,0,0]=3 12192 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|1,0,0]=3 12193 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,2,0,0,0,0|2,0,0]=4 12194 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,2,0,0,0,0|2,0,0]=4 12195 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,2,0,0,0,0|2,0,0]=4 12196 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,2,0,0,0,0|2,0,0]=4 12197 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,2,0,0,0,0|2,0,0]=4 12198 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,2,0,0,0,0|1,0,1]=4 12199 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,2,0,0,0,0|1,0,1]=4 12200 B10R0.108 CCS(=O)CCC(=O)CC#N 1458a_100011387550_100011214920 [0,2,0,0,0,0|1,0,1]=4 12201 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [0,2,0,0,0,0|1,0,0]=3 12202 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,2,0,0,0,0|1,0,0]=3 12203 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [0,2,0,0,0,0|1,0,1]=4 12204 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [0,2,0,0,0,0|1,0,1]=4 12205 B10R0.108 CNC(=O)CCN(C)CCF 2230a_100000750875_100011217306 [0,2,0,0,0,0|2,0,0]=4 12206 B10R0.108 CNC(=O)CCN(C)CCF 269982a_100000750875_100011217306 [0,2,0,0,0,0|2,0,0]=4 12207 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000210263_100000737683 [0,2,0,0,0,0|2,0,0]=4 12208 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000750875_100000211926 [0,2,0,0,0,0|2,0,0]=4 12209 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000210263_100000737683 [0,2,0,0,0,0|2,0,0]=4 12210 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000750875_100000211926 [0,2,0,0,0,0|2,0,0]=4 12211 B10R0.108 CNC(=O)CCN(C)COC 2230a_100000750875_100000766300 [0,2,0,0,0,0|2,0,0]=4 12212 B10R0.108 CNC(=O)CCN(C)COC 269982a_100000750875_100000766300 [0,2,0,0,0,0|2,0,0]=4 12213 B10R0.108 CNC(=O)CCN(C)CSC 2230a_100000750875_100011218213 [0,2,0,0,0,0|2,0,0]=4 12214 B10R0.108 CNC(=O)CCN(C)CSC 269982a_100000750875_100011218213 [0,2,0,0,0,0|2,0,0]=4 12215 B10R0.108 CNC(=O)CNC(C)CCO 2230a_100000693194_100009893172 [0,2,0,0,0,0|2,0,0]=4 12216 B10R0.108 CNC(=O)CNC(C)COC 2230a_100000693194_100000765312 [0,2,0,0,0,0|2,0,0]=4 12217 B10R0.108 CNC(=O)CNC(C)COC 270004a_100000693194_100000749346 [0,2,0,0,0,0|2,0,0]=4 12218 B10R0.108 CNC(=O)CNC(C)CSC 270004a_100000693194_100011216314 [0,2,0,0,0,0|2,0,0]=4 12219 B10R0.108 CNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 12220 B10R0.108 CNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 12221 B10R0.108 CNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183359 [0,2,0,0,0,0|2,0,0]=4 12222 B10R0.108 CNC(=O)COC(C)CCBr 34a_100012276601_100000183359 [0,2,0,0,0,0|2,0,0]=4 12223 B10R0.108 CNC(=O)COC(C)CCO 34a_100000750040_100009893172 [0,2,0,0,0,0|2,0,0]=4 12224 B10R0.108 CNC(=O)COC(C)COC 34a_100000750040_100000765312 [0,2,0,0,0,0|2,0,0]=4 12225 B10R0.108 CNC(=O)CO[C@H](C)COC 34a_100011934205_100000183359 [0,2,0,0,0,0|2,0,0]=4 12226 B10R0.108 CNC(=O)CSC(C)CCO 62a_100000183359_100009893172 [0,2,0,0,0,0|2,0,0]=4 12227 B10R0.108 CNC(=O)CSC(C)CCO 62a_100009893172_100000183359 [0,2,0,0,0,0|2,0,0]=4 12228 B10R0.108 CNC(=O)CSC(C)COC 62a_100000183359_100000765312 [0,2,0,0,0,0|2,0,0]=4 12229 B10R0.108 CNC(=O)CSC(C)COC 62a_100000765312_100000183359 [0,2,0,0,0,0|2,0,0]=4 12230 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [0,2,0,0,0,0|2,0,0]=4 12231 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [0,2,0,0,0,0|2,0,0]=4 12232 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [0,2,0,0,0,0|2,0,0]=4 12233 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [0,2,0,0,0,0|2,0,0]=4 12234 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [0,2,0,0,0,0|2,0,0]=4 12235 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 12236 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|1,0,1]=4 12237 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 12238 B10R0.108 CNCC(=O)NCC(O)CO 2230a_106832991635_200012027429 [0,2,0,0,0,0|2,0,0]=4 12239 B10R0.108 CNCC(=O)NCC(O)CO 34a_100102657272_200012027429 [0,2,0,0,0,0|2,0,0]=4 12240 B10R0.108 CNCC(=O)NCC(O)CO 7a_106832991635_200012027429 [0,2,0,0,0,0|2,0,0]=4 12241 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|1,0,1]=4 12242 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|1,0,1]=4 12243 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|1,0,1]=4 12244 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|1,0,1]=4 12245 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|1,0,1]=4 12246 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|1,0,1]=4 12247 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,2,0,0,0,0|2,0,0]=4 12248 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 12249 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 12250 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,2,0,0,0,0|2,0,0]=4 12251 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,2,0,0,0,0|2,0,0]=4 12252 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 12253 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 12254 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,2,0,0,0,0|2,0,0]=4 12255 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,2,0,0,0,0|2,0,0]=4 12256 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,2,0,0,0,0|2,0,0]=4 12257 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|1,0,1]=4 12258 B10R0.108 COCC(=O)NCC(C)CO 240690a_100000744482_100000210968 [0,2,0,0,0,0|2,0,0]=4 12259 B10R0.108 COCC(=O)NCC(C)CO 527a_100000744482_100000210968 [0,2,0,0,0,0|2,0,0]=4 12260 B10R0.108 COCC(=O)NCC(O)CO 34a_100138415774_200012027429 [0,2,0,0,0,0|2,0,0]=4 12261 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 12262 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 12263 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 12264 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 12265 B10R0.108 COCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210968 [0,2,0,0,0,0|2,0,0]=4 12266 B10R0.108 COCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210968 [0,2,0,0,0,0|2,0,0]=4 12267 B10R0.108 COCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210968 [0,2,0,0,0,0|2,0,0]=4 12268 B10R0.108 COCC(=O)NC[C@H](O)CO 527a_100020644852_100000210968 [0,2,0,0,0,0|2,0,0]=4 12269 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,2,0,0,0,0|2,0,0]=4 12270 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,2,0,0,0,0|2,0,0]=4 12271 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 12272 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 12273 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [0,2,0,0,0,0|2,0,0]=4 12274 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,2,0,0,0,0|2,0,0]=4 12275 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,2,0,0,0,0|2,0,0]=4 12276 B10R0.108 CO[C@H](C)CNC(=O)CCO 240690a_100020591295_100011216618 [0,2,0,0,0,0|2,0,0]=4 12277 B10R0.108 CO[C@H](C)CNC(=O)CSC 11a_100020591295_100000184570 [0,2,0,0,0,0|2,0,0]=4 12278 B10R0.108 CO[C@H](C)CNC(=O)CSC 1626a_100020591295_100000184570 [0,2,0,0,0,0|2,0,0]=4 12279 B10R0.108 CO[C@H](C)CNC(=O)CSC 240690a_100020591295_100000184570 [0,2,0,0,0,0|2,0,0]=4 12280 B10R0.108 CO[C@H](C)CNC(=O)CSC 527a_100020591295_100000184570 [0,2,0,0,0,0|2,0,0]=4 12281 B10R0.108 CSCC(=O)NCC(C)CO 240690a_100000744482_100000184570 [0,2,0,0,0,0|2,0,0]=4 12282 B10R0.108 CSCC(=O)NCC(C)CO 527a_100000744482_100000184570 [0,2,0,0,0,0|2,0,0]=4 12283 B10R0.108 CSCC(=O)NCC(O)CO 62a_200000210301_200012027429 [0,2,0,0,0,0|2,0,0]=4 12284 B10R0.108 CSCC(=O)NCC(O)CO 62a_200012027429_200000210301 [0,2,0,0,0,0|2,0,0]=4 12285 B10R0.108 CSCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000184570 [0,2,0,0,0,0|2,0,0]=4 12286 B10R0.108 CSCC(=O)NC[C@@H](F)CO 527a_100015665980_100000184570 [0,2,0,0,0,0|2,0,0]=4 12287 B10R0.108 CSCC(=O)NC[C@H](O)CO 240690a_100020644852_100000184570 [0,2,0,0,0,0|2,0,0]=4 12288 B10R0.108 CSCC(=O)NC[C@H](O)CO 527a_100020644852_100000184570 [0,2,0,0,0,0|2,0,0]=4 12289 B10R0.108 O=C(CCO)NC[C@@H](F)CO 240690a_100015665980_100011216618 [0,2,0,0,0,0|2,0,0]=4 12290 B10R0.108 O=C(CCO)NC[C@H](O)CO 240690a_100020644852_100011216618 [0,2,0,0,0,0|2,0,0]=4 12291 B10R0.108 [13CH3]SCC(=O)NCC(O)CO 62a_200012027429_200025704644 [0,2,0,0,0,0|2,0,0]=4 12292 B10R0.108 [13CH3]SCC(=O)NCC(O)CO 62a_200025704644_200012027429 [0,2,0,0,0,0|2,0,0]=4 12293 B10R0.156 CCCCCS(=O)(=O)NCC 270084a_100015525214_100000753860 [0,2,0,0,0,0|1,0,0]=3 12294 B10R0.156 CCCCCS(=O)(=O)NCC 274078a_100015525214_100000753860 [0,2,0,0,0,0|1,0,0]=3 12295 B10R0.156 CCCCNS(=O)(=O)CCBr 270084a_100000102301_100000731045 [0,2,0,0,0,0|2,0,0]=4 12296 B10R0.156 CCCCNS(=O)(=O)CCBr 274078a_100000102301_100000731045 [0,2,0,0,0,0|2,0,0]=4 12297 B10R0.156 CCCCNS(=O)(=O)CCC 270084a_100000102301_100000211391 [0,2,0,0,0,0|2,0,0]=4 12298 B10R0.156 CCCCNS(=O)(=O)CCC 274078a_100000102301_100000211391 [0,2,0,0,0,0|2,0,0]=4 12299 B10R0.156 CCCCNS(=O)(=O)CCC 40a_100000102301_100000054278 [0,2,0,0,0,0|2,0,0]=4 12300 B10R0.156 CCCCNS(=O)(=O)CCCl 270084a_100000102301_100000184613 [0,2,0,0,0,0|2,0,0]=4 12301 B10R0.156 CCCCNS(=O)(=O)CCCl 274078a_100000102301_100000184613 [0,2,0,0,0,0|2,0,0]=4 12302 B10R0.156 CCNS(=O)(=O)CCCCCl 270084a_100015525214_100000021705 [0,2,0,0,0,0|2,0,0]=4 12303 B10R0.156 CCNS(=O)(=O)CCOCC 270084a_100015525214_100000747040 [0,2,0,0,0,0|2,0,0]=4 12304 B10R0.156 CCNS(=O)(=O)CCOCC 274078a_100015525214_100000747040 [0,2,0,0,0,0|2,0,0]=4 12305 B10R0.21 CCCCC(C)N(CC)CC 2230a_100000724800_200011215066 [0,2,0,0,0,0|2,0,0]=4 12306 B10R0.21 CCCCC(C)N(CC)CC 269956a_100000042499_200011215066 [0,2,0,0,0,0|2,0,0]=4 12307 B10R0.21 CCCCC(C)N(CC)CC 269982a_100000724800_200011215066 [0,2,0,0,0,0|2,0,0]=4 12308 B10R0.21 CCCCC(C)N(CC)CC 270004a_100000724800_100000210087 [0,2,0,0,0,0|2,0,0]=4 12309 B10R0.35 CCC(=O)C(C)C(=O)CCO 1458a_100011216618_100000742827 [0,2,0,0,0,0|1,0,1]=4 12310 B10R0.35 CCC(=O)C(C)C(=O)COC 1458a_100000210968_100000742827 [0,2,0,0,0,0|1,0,1]=4 12311 B10R0.35 CCC(=O)C(C)C(=O)CSC 1458a_100000184570_100000742827 [0,2,0,0,0,0|1,0,1]=4 12312 B10R0.35 CCC(=O)C(C)N(C)CCO 2230a_100000210263_100000742827 [0,2,0,0,0,0|2,0,0]=4 12313 B10R0.35 CCC(=O)C(C)N(C)CCO 269982a_100000210263_100000742827 [0,2,0,0,0,0|2,0,0]=4 12314 B10R0.35 CCC(=O)N(C)C(C)CCO 240690a_100000731037_100000210414 [0,2,0,0,0,0|2,0,0]=4 12315 B10R0.35 CCC(=O)N(C)C(C)CCO 527a_100000731037_100000210414 [0,2,0,0,0,0|2,0,0]=4 12316 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,2,0,0,0,0|0,0,1]=3 12317 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [0,2,0,0,0,0|1,0,1]=4 12318 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|1,0,1]=4 12319 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|1,0,1]=4 12320 B10R0.35 CCCC(=O)C(F)C(=O)NC 1458a_100000211992_100009813575 [0,2,0,0,0,0|1,0,1]=4 12321 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|1,0,1]=4 12322 B10R0.35 CCCN(C)C(C)C(=O)CC 2230a_100000747261_100000742827 [0,2,0,0,0,0|1,0,0]=3 12323 B10R0.35 CCCN(C)C(C)C(=O)CC 269982a_100000747261_100000742827 [0,2,0,0,0,0|1,0,0]=3 12324 B10R0.35 CCCN(C)C(C)C(=O)NC 2230a_100000747261_100000731044 [0,2,0,0,0,0|2,0,0]=4 12325 B10R0.35 CCCN(C)C(C)C(=O)NC 269982a_100000747261_100000209862 [0,2,0,0,0,0|2,0,0]=4 12326 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 12327 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 12328 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 12329 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 12330 B10R0.35 CCCN(C)C(F)C(=O)NC 2230a_100000747261_100009813575 [0,2,0,0,0,0|2,0,0]=4 12331 B10R0.35 CCCN(C)C(F)C(=O)NC 269982a_100000747261_100009813575 [0,2,0,0,0,0|2,0,0]=4 12332 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [0,2,0,0,0,0|1,0,1]=4 12333 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,2,0,0,0,0|1,0,1]=4 12334 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,2,0,0,0,0|1,0,1]=4 12335 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,2,0,0,0,0|1,0,1]=4 12336 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000210202 [0,2,0,0,0,0|2,0,0]=4 12337 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [0,2,0,0,0,0|2,0,0]=4 12338 B10R0.40 CCCCN(C)S(=O)(=O)CC 270084a_100000207549_100000211323 [0,2,0,0,0,0|2,0,0]=4 12339 B10R0.40 CCCCN(C)S(=O)(=O)CC 274078a_100000207549_100000211323 [0,2,0,0,0,0|2,0,0]=4 12340 B10R0.40 CCCCN(C)S(=O)(=O)CC 40a_100000207549_100000053943 [0,2,0,0,0,0|2,0,0]=4 12341 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,2,0,0,0,0|1,0,1]=4 12342 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,2,0,0,0,0|1,0,1]=4 12343 B10R0.46 CCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210202 [0,2,0,0,0,0|1,0,0]=3 12344 B10R0.46 CCC(=O)C(C)NC(C)CC 2230a_100000209981_100000742827 [0,2,0,0,0,0|1,0,0]=3 12345 B10R0.46 CCC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000742827 [0,2,0,0,0,0|2,0,0]=4 12346 B10R0.46 CCC(=O)C(C)OC(C)CC 7a_100000210228_100000742827 [0,2,0,0,0,0|1,0,0]=3 12347 B10R0.46 CCC(=O)C(C)OC(C)CF 7a_100016041109_100000742827 [0,2,0,0,0,0|2,0,0]=4 12348 B10R0.46 CCC(=O)C(C)SC(C)CC 62a_100000742827_100000758301 [0,2,0,0,0,0|1,0,0]=3 12349 B10R0.46 CCC(=O)C(C)SC(C)CC 62a_100000758301_100000742827 [0,2,0,0,0,0|1,0,0]=3 12350 B10R0.46 CCC(=O)C(C)SC(C)CO 62a_100012180447_100000742827 [0,2,0,0,0,0|2,0,0]=4 12351 B10R0.46 CCC(=O)C(C)SC(C)OC 62a_100000742827_100009879195 [0,2,0,0,0,0|2,0,0]=4 12352 B10R0.46 CCC(=O)C(C)SC(C)OC 62a_100009879195_100000742827 [0,2,0,0,0,0|2,0,0]=4 12353 B10R0.46 CCC(=O)C(C)S[C@H](C)CO 62a_100000742827_100016084084 [0,2,0,0,0,0|2,0,0]=4 12354 B10R0.46 CCC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000742827 [0,2,0,0,0,0|2,0,0]=4 12355 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [0,2,0,0,0,0|0,0,1]=3 12356 B10R0.46 CCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747405 [0,2,0,0,0,0|1,0,1]=4 12357 B10R0.46 CCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747405 [0,2,0,0,0,0|1,0,1]=4 12358 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,2,0,0,0,0|0,0,1]=3 12359 B10R0.46 CCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747405 [0,2,0,0,0,0|1,0,1]=4 12360 B10R0.46 CCC(=O)CC(=O)N(C)CC 1458a_100000210414_100011894763 [0,2,0,0,0,0|1,0,1]=4 12361 B10R0.46 CCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210202 [0,2,0,0,0,0|1,0,0]=3 12362 B10R0.46 CCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747405 [0,2,0,0,0,0|1,0,0]=3 12363 B10R0.46 CCC(=O)CN(C)C(C)CO 269982a_100000693034_100000747405 [0,2,0,0,0,0|2,0,0]=4 12364 B10R0.46 CCC(=O)N(C)CC(C)CC 11a_100000753921_100000210414 [0,2,0,0,0,0|1,0,0]=3 12365 B10R0.46 CCC(=O)N(C)CC(C)CC 1626a_100000753921_100000210414 [0,2,0,0,0,0|1,0,0]=3 12366 B10R0.46 CCC(=O)N(C)CC(C)CC 240690a_100000753921_100000210414 [0,2,0,0,0,0|1,0,0]=3 12367 B10R0.46 CCC(=O)N(C)CC(C)CC 527a_100000753921_100000210414 [0,2,0,0,0,0|1,0,0]=3 12368 B10R0.46 CCC(=O)N(C)CC(O)CO 240690a_100011216503_100000210414 [0,2,0,0,0,0|2,0,0]=4 12369 B10R0.46 CCC(=O)N(C)CC(O)CO 527a_100011216503_100000210414 [0,2,0,0,0,0|2,0,0]=4 12370 B10R0.46 CCC(=O)NC(C)C(=O)CC 1458a_100000194823_100000210202 [0,2,0,0,0,0|1,0,1]=4 12371 B10R0.46 CCC(C)C(=O)CC(=O)NC 1458a_100011192722_100000183359 [0,2,0,0,0,0|1,0,1]=4 12372 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,2,0,0,0,0|1,0,1]=4 12373 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,2,0,0,0,0|1,0,1]=4 12374 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|1,0,1]=4 12375 B10R0.46 CCC(C)CN(C)C(=O)CO 240690a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 12376 B10R0.46 CCC(C)CN(C)C(=O)CO 527a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 12377 B10R0.46 CCC(C)CN(C)C(=O)NC 2708a_100102657272_100000753921 [0,2,0,0,0,0|2,0,0]=4 12378 B10R0.46 CCC(C)CN(C)C(=O)NC 273464a_100102657272_100000753921 [0,2,0,0,0,0|2,0,0]=4 12379 B10R0.46 CCC(C)N(C)CC(=O)NC 2230a_100000189611_100000758301 [0,2,0,0,0,0|2,0,0]=4 12380 B10R0.46 CCC(C)N(C)CC(=O)NC 2230a_100000741768_100000183359 [0,2,0,0,0,0|2,0,0]=4 12381 B10R0.46 CCC(C)N(C)CC(=O)NC 269982a_100000741768_100000183359 [0,2,0,0,0,0|2,0,0]=4 12382 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [0,2,0,0,0,0|2,0,0]=4 12383 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [0,2,0,0,0,0|2,0,0]=4 12384 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [0,2,0,0,0,0|2,0,0]=4 12385 B10R0.46 CCC(C)NC(C)C(=O)NC 2230a_100000209981_100000731044 [0,2,0,0,0,0|2,0,0]=4 12386 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|2,0,0]=4 12387 B10R0.46 CCC(C)NC(F)C(=O)NC 2230a_100000209981_100009813575 [0,2,0,0,0,0|2,0,0]=4 12388 B10R0.46 CCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_100000758301 [0,2,0,0,0,0|2,0,0]=4 12389 B10R0.46 CCC(C)N[C@H](C)C(=O)NC 34a_100000684985_100011215416 [0,2,0,0,0,0|2,0,0]=4 12390 B10R0.46 CCC(C)OC(C)C(=O)NC 7a_100000210228_100000209862 [0,2,0,0,0,0|2,0,0]=4 12391 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|2,0,0]=4 12392 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|2,0,0]=4 12393 B10R0.46 CCC(C)OC(F)C(=O)NC 7a_100000210228_100009813575 [0,2,0,0,0,0|2,0,0]=4 12394 B10R0.46 CCC(C)SC(C)C(=O)NC 62a_100000209862_100000758301 [0,2,0,0,0,0|2,0,0]=4 12395 B10R0.46 CCC(C)SC(C)C(=O)NC 62a_100000758301_100000731044 [0,2,0,0,0,0|2,0,0]=4 12396 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|2,0,0]=4 12397 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|2,0,0]=4 12398 B10R0.46 CCC(C)SC(F)C(=O)NC 62a_100000758301_100009813575 [0,2,0,0,0,0|2,0,0]=4 12399 B10R0.46 CCC(C)SC(F)C(=O)NC 62a_100009813575_100000758301 [0,2,0,0,0,0|2,0,0]=4 12400 B10R0.46 CCC(O)C(=O)CC(=O)NC 1458a_100011196387_100000183359 [0,2,0,0,0,0|1,0,1]=4 12401 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [0,2,0,0,0,0|1,0,1]=4 12402 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|1,0,1]=4 12403 B10R0.46 CCN(C)C(C)CC(=O)CF 1458a_200015187196_100015361967 [0,2,0,0,0,0|2,0,0]=4 12404 B10R0.46 CCN(C)C(C)CC(=O)NC 1626a_100102657272_200015187196 [0,2,0,0,0,0|2,0,0]=4 12405 B10R0.46 CCN(C)C(C)CC(=O)NC 2230a_100015186911_100000210202 [0,2,0,0,0,0|2,0,0]=4 12406 B10R0.46 CCN(C)C(C)CC(=O)NC 240690a_100102657272_200015187196 [0,2,0,0,0,0|2,0,0]=4 12407 B10R0.46 CCN(C)C(C)CC(=O)NC 269982a_100015186911_100000204670 [0,2,0,0,0,0|2,0,0]=4 12408 B10R0.46 CCN(C)C(C)CC(=O)NC 527a_100102657272_200015187196 [0,2,0,0,0,0|2,0,0]=4 12409 B10R0.46 CCN(C)C(C)CC(=O)OC 2230a_100000225621_100009817358 [0,2,0,0,0,0|2,0,0]=4 12410 B10R0.46 CCN(C)C(C)CC(=O)OC 269982a_100000225621_100009817358 [0,2,0,0,0,0|2,0,0]=4 12411 B10R0.46 CCN(C)CC(C)C(=O)CF 1458a_200015185930_100015361967 [0,2,0,0,0,0|2,0,0]=4 12412 B10R0.46 CCN(C)CC(C)C(=O)NC 11a_106832991635_200015185930 [0,2,0,0,0,0|2,0,0]=4 12413 B10R0.46 CCN(C)CC(C)C(=O)NC 1626a_100102657272_200015185930 [0,2,0,0,0,0|2,0,0]=4 12414 B10R0.46 CCN(C)CC(C)C(=O)NC 240690a_100102657272_200015185930 [0,2,0,0,0,0|2,0,0]=4 12415 B10R0.46 CCN(C)CC(C)C(=O)OC 269982a_100000225621_100000698445 [0,2,0,0,0,0|2,0,0]=4 12416 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|1,0,1]=4 12417 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|0,0,1]=3 12418 B10R0.81 C=C(C)C(=O)N(C)CCCC 11a_100000207549_100000185857 [0,2,0,0,0,0|1,0,1]=4 12419 B10R0.81 C=C(C)C(=O)N(C)CCCC 1626a_100000207549_100000185857 [0,2,0,0,0,0|1,0,1]=4 12420 B10R0.81 CC(C)C(=O)C(C)NCCO 2230a_100016997473_100009893295 [0,2,0,0,0,0|2,0,0]=4 12421 B10R0.81 CC(C)C(=O)C(C)SCCF 62a_100009893295_100011217306 [0,2,0,0,0,0|2,0,0]=4 12422 B10R0.81 CC(C)C(=O)C(C)SCCF 62a_100011217306_100009893295 [0,2,0,0,0,0|2,0,0]=4 12423 B10R0.81 CC(C)C(=O)C(C)SCCO 62a_100000211926_100009893295 [0,2,0,0,0,0|2,0,0]=4 12424 B10R0.81 CC(C)C(=O)C(C)SCCO 62a_100009893295_100000211926 [0,2,0,0,0,0|2,0,0]=4 12425 B10R0.81 CC(C)C(=O)N(C)CCCO 240690a_100000213112_100000210198 [0,2,0,0,0,0|2,0,0]=4 12426 B10R0.81 CC(C)C(=O)N(C)CCCO 527a_100000213112_100000210198 [0,2,0,0,0,0|2,0,0]=4 12427 B10R0.81 CC(F)C(=O)N(C)CCCO 240690a_100000213112_100000062450 [0,2,0,0,0,0|2,0,0]=4 12428 B10R0.81 CC(F)C(=O)N(C)CCCO 527a_100000213112_100000062450 [0,2,0,0,0,0|2,0,0]=4 12429 B10R0.81 CCC/C=C(\C)/C(=O)C(C)C 1458a_200020648666_100000210206 [0,2,0,0,0,0|0,0,2]=4 12430 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [0,2,0,0,0,0|1,0,1]=4 12431 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000210198_200011215066 [0,2,0,0,0,0|0,0,0]=2 12432 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000725509_100000210206 [0,2,0,0,0,0|0,0,0]=2 12433 B10R0.81 CCCCC(C)C(=O)C(C)F 1458a_100000062450_200011215066 [0,2,0,0,0,0|0,0,0]=2 12434 B10R0.81 CCCCC(C)C(=O)C(O)O 1458a_100000233687_200011215066 [0,2,0,0,0,0|1,0,0]=3 12435 B10R0.81 CCCCC(C)C(=O)N(C)C 11a_100102631434_100000725509 [0,2,0,0,0,0|1,0,0]=3 12436 B10R0.81 CCCCC(C)C(=O)N(C)C 1626a_100102631434_100000725509 [0,2,0,0,0,0|1,0,0]=3 12437 B10R0.81 CCCCC(C)C(=O)N(C)C 240690a_100102631434_100000725509 [0,2,0,0,0,0|1,0,0]=3 12438 B10R0.81 CCCCC(C)C(=O)N(C)C 527a_100102631434_100000725509 [0,2,0,0,0,0|1,0,0]=3 12439 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,2,0,0,0,0|0,0,0]=2 12440 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,2,0,0,0,0|0,0,0]=2 12441 B10R0.81 CCCCC(C)N(C)C(C)C 269982a_200000211004_200011215066 [0,2,0,0,0,0|2,0,0]=4 12442 B10R0.81 CCCCC(C)N(C)C(C)C 270004a_200000211004_100000210087 [0,2,0,0,0,0|2,0,0]=4 12443 B10R0.81 CCCCC(O)C(=O)C(C)C 1458a_100000720857_100000210206 [0,2,0,0,0,0|0,0,0]=2 12444 B10R0.81 CCCCC(O)C(=O)N(C)C 240690a_100102631434_100000720857 [0,2,0,0,0,0|1,0,0]=3 12445 B10R0.81 CCCCC(O)C(=O)N(C)C 527a_100102631434_100000720857 [0,2,0,0,0,0|1,0,0]=3 12446 B10R0.81 CCCCN(C)C(=O)C(C)C 11a_100000207549_100000210198 [0,2,0,0,0,0|1,0,0]=3 12447 B10R0.81 CCCCN(C)C(=O)C(C)C 1626a_100000207549_100000210198 [0,2,0,0,0,0|1,0,0]=3 12448 B10R0.81 CCCCN(C)C(=O)C(C)C 240690a_100000207549_100000210198 [0,2,0,0,0,0|1,0,0]=3 12449 B10R0.81 CCCCN(C)C(=O)C(C)C 527a_100000207549_100000210198 [0,2,0,0,0,0|1,0,0]=3 12450 B10R0.81 CCCCN(C)C(=O)C(C)F 11a_100000207549_100000062450 [0,2,0,0,0,0|1,0,0]=3 12451 B10R0.81 CCCCN(C)C(=O)C(C)F 1626a_100000207549_100000062450 [0,2,0,0,0,0|1,0,0]=3 12452 B10R0.81 CCCCN(C)C(=O)C(C)F 240690a_100000207549_100000062450 [0,2,0,0,0,0|1,0,0]=3 12453 B10R0.81 CCCCN(C)C(=O)C(C)F 527a_100000207549_100000062450 [0,2,0,0,0,0|1,0,0]=3 12454 B10R0.81 CCCCN(C)C(=O)C(F)F 11a_100000207549_100000210393 [0,2,0,0,0,0|2,0,0]=4 12455 B10R0.81 CCCCN(C)C(=O)C(F)F 1626a_100000207549_100000210393 [0,2,0,0,0,0|2,0,0]=4 12456 B10R0.81 CCCCN(C)C(=O)C(F)F 240690a_100000207549_100000210393 [0,2,0,0,0,0|2,0,0]=4 12457 B10R0.81 CCCCN(C)C(=O)C(F)F 527a_100000207549_100000210393 [0,2,0,0,0,0|2,0,0]=4 12458 B10R0.81 CCCCN(C)C(=O)C(O)O 240690a_100000207549_100000233687 [0,2,0,0,0,0|2,0,0]=4 12459 B10R0.81 CCCCN(C)C(=O)[C@@H](C)O 240690a_100000207549_100000717761 [0,2,0,0,0,0|1,0,0]=3 12460 B10R0.81 CCCCN(C)C(=O)[C@H](C)O 1626a_100000207549_217856618621 [0,2,0,0,0,0|1,0,0]=3 12461 B10R0.81 CCCCN(C)C(=O)[C@H](C)O 240690a_100000207549_217856618621 [0,2,0,0,0,0|1,0,0]=3 12462 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [0,2,0,0,0,0|1,0,1]=4 12463 B10R0.81 CCCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210303 [0,2,0,0,0,0|2,0,0]=4 12464 B10R0.81 CCCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210303 [0,2,0,0,0,0|2,0,0]=4 12465 B10R0.81 CCCSC(C)C(=O)C(C)C 62a_100000210303_100009893295 [0,2,0,0,0,0|1,0,0]=3 12466 B10R0.81 CCCSC(C)C(=O)C(C)C 62a_100009893295_100000210303 [0,2,0,0,0,0|1,0,0]=3 12467 B10R0.81 CCCSC(C)C(=O)N(C)C 62a_100000209910_100000210303 [0,2,0,0,0,0|2,0,0]=4 12468 B10R0.81 CCCSC(C)C(=O)N(C)C 62a_100000210303_100000209910 [0,2,0,0,0,0|2,0,0]=4 12469 B10R0.81 COCCN(C)C(=O)C(C)C 11a_100000743101_100000210198 [0,2,0,0,0,0|2,0,0]=4 12470 B10R0.81 COCCN(C)C(=O)C(C)C 1626a_100000743101_100000210198 [0,2,0,0,0,0|2,0,0]=4 12471 B10R0.81 COCCN(C)C(=O)C(C)C 240690a_100000743101_100000210198 [0,2,0,0,0,0|2,0,0]=4 12472 B10R0.81 COCCN(C)C(=O)C(C)C 527a_100000743101_100000210198 [0,2,0,0,0,0|2,0,0]=4 12473 B10R0.81 COCCN(C)C(=O)C(C)F 11a_100000743101_100000062450 [0,2,0,0,0,0|2,0,0]=4 12474 B10R0.81 COCCN(C)C(=O)C(C)F 1626a_100000743101_100000062450 [0,2,0,0,0,0|2,0,0]=4 12475 B10R0.81 COCCN(C)C(=O)C(C)F 240690a_100000743101_100000062450 [0,2,0,0,0,0|2,0,0]=4 12476 B10R0.81 COCCN(C)C(=O)C(C)F 527a_100000743101_100000062450 [0,2,0,0,0,0|2,0,0]=4 12477 B10R0.81 COCCN(C)C(=O)[C@@H](C)O 240690a_100000743101_100000717761 [0,2,0,0,0,0|2,0,0]=4 12478 B10R0.81 COCCN(C)C(=O)[C@H](C)O 1626a_100000743101_217856618621 [0,2,0,0,0,0|2,0,0]=4 12479 B10R0.81 COCCN(C)C(=O)[C@H](C)O 240690a_100000743101_217856618621 [0,2,0,0,0,0|2,0,0]=4 12480 B10R0.81 COCSC(C)C(=O)C(C)C 62a_100000766300_100009893295 [0,2,0,0,0,0|2,0,0]=4 12481 B10R0.81 COCSC(C)C(=O)C(C)C 62a_100009893295_100000766300 [0,2,0,0,0,0|2,0,0]=4 12482 B10R0.81 CSCCC(O)C(=O)C(C)C 1458a_100000685904_100000210206 [0,2,0,0,0,0|1,0,0]=3 12483 B10R0.81 CSCCC(O)C(=O)N(C)C 240690a_100102631434_100000685904 [0,2,0,0,0,0|2,0,0]=4 12484 B10R0.81 CSCCN(C)C(=O)C(C)C 11a_100000686725_100000210198 [0,2,0,0,0,0|2,0,0]=4 12485 B10R0.81 CSCCN(C)C(=O)C(C)C 1626a_100000686725_100000210198 [0,2,0,0,0,0|2,0,0]=4 12486 B10R0.81 CSCCN(C)C(=O)C(C)C 240690a_100000686725_100000210198 [0,2,0,0,0,0|2,0,0]=4 12487 B10R0.81 CSCCN(C)C(=O)C(C)C 527a_100000686725_100000210198 [0,2,0,0,0,0|2,0,0]=4 12488 B10R0.81 CSCCN(C)C(=O)C(C)F 11a_100000686725_100000062450 [0,2,0,0,0,0|2,0,0]=4 12489 B10R0.81 CSCCN(C)C(=O)C(C)F 1626a_100000686725_100000062450 [0,2,0,0,0,0|2,0,0]=4 12490 B10R0.81 CSCCN(C)C(=O)C(C)F 240690a_100000686725_100000062450 [0,2,0,0,0,0|2,0,0]=4 12491 B10R0.81 CSCCN(C)C(=O)C(C)F 527a_100000686725_100000062450 [0,2,0,0,0,0|2,0,0]=4 12492 B10R0.81 CSCCN(C)C(=O)[C@@H](C)O 240690a_100000686725_100000717761 [0,2,0,0,0,0|2,0,0]=4 12493 B10R0.81 CSCCN(C)C(=O)[C@H](C)O 1626a_100000686725_217856618621 [0,2,0,0,0,0|2,0,0]=4 12494 B10R0.81 CSCCN(C)C(=O)[C@H](C)O 240690a_100000686725_217856618621 [0,2,0,0,0,0|2,0,0]=4 12495 B10R0.81 CSCSC(C)C(=O)C(C)C 62a_100009893295_100011218213 [0,2,0,0,0,0|2,0,0]=4 12496 B10R0.81 CSCSC(C)C(=O)C(C)C 62a_100011218213_100009893295 [0,2,0,0,0,0|2,0,0]=4 12497 B10R0.81 C[C@@H](O)C(=O)N(C)CCCO 240690a_100000213112_100000717761 [0,2,0,0,0,0|2,0,0]=4 12498 B10R0.81 C[C@H](O)C(=O)N(C)CCCO 240690a_100000213112_217856618621 [0,2,0,0,0,0|2,0,0]=4 12499 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [0,2,0,0,0,0|0,0,2]=4 12500 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,2,0,0,0,0|0,0,2]=4 12501 B10R0.85 CCC(=O)C(CC)OCCF 34a_200011218131_100011217306 [0,2,0,0,0,0|2,0,0]=4 12502 B10R0.85 CCC(=O)C(CC)OCCF 7a_200011218131_100011217306 [0,2,0,0,0,0|2,0,0]=4 12503 B10R0.85 CCC(=O)C(CC)OCCO 34a_200011218131_100000211926 [0,2,0,0,0,0|2,0,0]=4 12504 B10R0.85 CCC(=O)C(CC)OCCO 7a_200011218131_100000211926 [0,2,0,0,0,0|2,0,0]=4 12505 B10R0.85 CCC(=O)C(CC)OCSC 34a_200011218131_100011218213 [0,2,0,0,0,0|2,0,0]=4 12506 B10R0.85 CCC(=O)N(CC)CCOC 11a_100000731262_100000210414 [0,2,0,0,0,0|2,0,0]=4 12507 B10R0.85 CCC(=O)N(CC)CCOC 1626a_100000731262_100000210414 [0,2,0,0,0,0|2,0,0]=4 12508 B10R0.85 CCC(=O)N(CC)CCOC 240690a_100000731262_100000210414 [0,2,0,0,0,0|2,0,0]=4 12509 B10R0.85 CCC(=O)N(CC)CCOC 527a_100000731262_100000210414 [0,2,0,0,0,0|2,0,0]=4 12510 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|0,0,0]=2 12511 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|0,0,0]=2 12512 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,2,0,0,0,0|1,0,0]=3 12513 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,0,0,0,0|1,0,0]=3 12514 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,2,0,0,0,0|1,0,0]=3 12515 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 12516 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 12517 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 12518 B10R0.85 CCCCC(CC)N(C)CC 269982a_100000225621_200011216223 [0,2,0,0,0,0|2,0,0]=4 12519 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|1,0,0]=3 12520 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|1,0,0]=3 12521 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|1,0,0]=3 12522 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|1,0,0]=3 12523 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|1,0,0]=3 12524 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|1,0,0]=3 12525 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|1,0,0]=3 12526 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|1,0,0]=3 12527 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [0,2,0,0,0,0|1,0,0]=3 12528 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [0,2,0,0,0,0|1,0,0]=3 12529 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [0,2,0,0,0,0|1,0,0]=3 12530 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [0,2,0,0,0,0|1,0,0]=3 12531 B10R0.85 CCCCN(CC)C(=O)CO 240690a_100000207695_100000210174 [0,2,0,0,0,0|2,0,0]=4 12532 B10R0.85 CCCCN(CC)C(=O)CO 527a_100000207695_100000210174 [0,2,0,0,0,0|2,0,0]=4 12533 B10R0.85 CCCCN(CC)C(=O)NC 2708a_100102657272_100000207695 [0,2,0,0,0,0|2,0,0]=4 12534 B10R0.85 CCCCN(CC)C(=O)NC 273464a_100102657272_100000207695 [0,2,0,0,0,0|2,0,0]=4 12535 B10R0.85 CCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210303 [0,2,0,0,0,0|2,0,0]=4 12536 B10R0.85 CCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210303 [0,2,0,0,0,0|2,0,0]=4 12537 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [0,2,0,0,0,0|2,0,0]=4 12538 B10R0.85 CCCOC(CC)C(=O)CC 34a_200011218131_100000210303 [0,2,0,0,0,0|1,0,0]=3 12539 B10R0.85 CCCOC(CC)C(=O)CC 7a_200011218131_100000210303 [0,2,0,0,0,0|1,0,0]=3 12540 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [0,2,0,0,0,0|2,0,0]=4 12541 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [0,2,0,0,0,0|2,0,0]=4 12542 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [0,2,0,0,0,0|2,0,0]=4 12543 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,2,0,0,0,0|2,0,0]=4 12544 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [0,2,0,0,0,0|2,0,0]=4 12545 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [0,2,0,0,0,0|2,0,0]=4 12546 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [0,2,0,0,0,0|2,0,0]=4 12547 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [0,2,0,0,0,0|2,0,0]=4 12548 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [0,2,0,0,0,0|2,0,0]=4 12549 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [0,2,0,0,0,0|2,0,0]=4 12550 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [0,2,0,0,0,0|2,0,0]=4 12551 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [0,2,0,0,0,0|2,0,0]=4 12552 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [0,2,0,0,0,0|2,0,0]=4 12553 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [0,2,0,0,0,0|2,0,0]=4 12554 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [0,2,0,0,0,0|2,0,0]=4 12555 B10R0.124 CCCCC(C)(C)C(=O)CC 1458a_100011216040_100000210202 [0,2,0,0,0,0|0,0,0]=2 12556 B10R0.124 CCCCC(C)(C)C(=O)CF 1458a_100011216040_100015361967 [0,2,0,0,0,0|1,0,0]=3 12557 B10R0.124 CCCCC(C)(C)C(=O)NC 11a_106832991635_100011216040 [0,2,0,0,0,0|1,0,0]=3 12558 B10R0.124 CCCCC(C)(C)C(=O)NC 1626a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 12559 B10R0.124 CCCCC(C)(C)C(=O)NC 240690a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 12560 B10R0.124 CCCCC(C)(C)C(=O)NC 527a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 12561 B10R0.124 CCCCC(C)(O)C(=O)CC 1458a_100000137666_100000210202 [0,2,0,0,0,0|0,0,0]=2 12562 B10R0.124 CCCCC(C)(O)C(=O)CF 1458a_100000137666_100015361967 [0,2,0,0,0,0|1,0,0]=3 12563 B10R0.124 CCCCC(C)(O)C(=O)NC 240690a_100102657272_100000137666 [0,2,0,0,0,0|1,0,0]=3 12564 B10R0.124 CCCCC(F)(F)C(=O)CC 1458a_100000100317_100000210202 [0,2,0,0,0,0|0,0,0]=2 12565 B10R0.124 CCCCC(F)(F)C(=O)CF 1458a_100000100317_100015361967 [0,2,0,0,0,0|1,0,0]=3 12566 B10R0.124 CCCCC(F)(F)C(=O)NC 11a_106832991635_100000100317 [0,2,0,0,0,0|1,0,0]=3 12567 B10R0.124 CCCCC(F)(F)C(=O)NC 1626a_100102657272_100000100317 [0,2,0,0,0,0|1,0,0]=3 12568 B10R0.124 CCCCC(F)(F)C(=O)NC 240690a_100102657272_100000100317 [0,2,0,0,0,0|1,0,0]=3 12569 B10R0.124 CCCCC(F)(F)C(=O)NC 527a_100102657272_100000100317 [0,2,0,0,0,0|1,0,0]=3 12570 B10R0.124 CCCOC(C)(C)C(=O)NC 34a_100000210258_100000732697 [0,2,0,0,0,0|2,0,0]=4 12571 B10R0.124 CCCOC(C)(C)C(=O)OC 34a_100011217581_100000210303 [0,2,0,0,0,0|2,0,0]=4 12572 B10R0.124 CCCOC(C)(C)C(=O)OC 7a_100011217581_100000210303 [0,2,0,0,0,0|2,0,0]=4 12573 B10R0.124 CCCOC(C)(F)C(=O)OC 34a_100000210258_200009867631 [0,2,0,0,0,0|2,0,0]=4 12574 B10R0.124 CCCOC(F)(F)C(=O)OC 34a_100000210258_100000211177 [0,2,0,0,0,0|2,0,0]=4 12575 B10R0.124 CCCSC(C)(C)C(=O)NC 62a_100000210303_100000732697 [0,2,0,0,0,0|2,0,0]=4 12576 B10R0.124 CCCSC(C)(C)C(=O)NC 62a_100000732697_100000210303 [0,2,0,0,0,0|2,0,0]=4 12577 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000210303_100000689032 [0,2,0,0,0,0|2,0,0]=4 12578 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000689032_100000210303 [0,2,0,0,0,0|2,0,0]=4 12579 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_100000210303_200009867631 [0,2,0,0,0,0|2,0,0]=4 12580 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_200009867631_100000210303 [0,2,0,0,0,0|2,0,0]=4 12581 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000210303_100000211177 [0,2,0,0,0,0|2,0,0]=4 12582 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000211177_100000210303 [0,2,0,0,0,0|2,0,0]=4 12583 B10R0.124 CCOCC(C)(C)C(=O)NC 34a_100121572206_100000702813 [0,2,0,0,0,0|2,0,0]=4 12584 B10R0.124 CCOCC(C)(C)C(=O)OC 34a_100000709632_100000210202 [0,2,0,0,0,0|2,0,0]=4 12585 B10R0.124 CCOCC(C)(C)C(=O)OC 7a_100000709632_100000210202 [0,2,0,0,0,0|2,0,0]=4 12586 B10R0.124 CCOCC(F)(F)C(=O)OC 34a_100121572206_100010295740 [0,2,0,0,0,0|2,0,0]=4 12587 B10R0.124 CCSCC(C)(C)C(=O)NC 62a_100000210202_100000702813 [0,2,0,0,0,0|2,0,0]=4 12588 B10R0.124 CCSCC(C)(C)C(=O)NC 62a_100000702813_100000210202 [0,2,0,0,0,0|2,0,0]=4 12589 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000210202_100000684552 [0,2,0,0,0,0|2,0,0]=4 12590 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000684552_100000210202 [0,2,0,0,0,0|2,0,0]=4 12591 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100000210202_100010295740 [0,2,0,0,0,0|2,0,0]=4 12592 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100010295740_100000210202 [0,2,0,0,0,0|2,0,0]=4 12593 B10R0.7 CCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210303 [0,2,0,0,0,0|1,0,1]=4 12594 B10R0.7 CCCC(C)NS(=O)(=O)CC 270084a_100000741246_100000211323 [0,2,0,0,0,0|2,0,0]=4 12595 B10R0.7 CCCC(C)NS(=O)(=O)CC 274078a_100000741246_100000211323 [0,2,0,0,0,0|2,0,0]=4 12596 B10R0.7 CCCC(C)NS(=O)(=O)CC 40a_100000741246_100000053943 [0,2,0,0,0,0|2,0,0]=4 12597 B10R0.42 CCCCCS(=O)(=O)N(C)C 270084a_100102631434_100000753860 [0,2,0,0,0,0|2,0,0]=4 12598 B10R0.42 CCCCCS(=O)(=O)N(C)C 274078a_100102631434_100000753860 [0,2,0,0,0,0|2,0,0]=4 12599 B10R0.42 CCCCNS(=O)(=O)C(C)C 270084a_100000102301_100000742656 [0,2,0,0,0,0|2,0,0]=4 12600 B10R0.42 CCCCNS(=O)(=O)C(C)C 274078a_100000102301_100000742656 [0,2,0,0,0,0|2,0,0]=4 12601 B10R0.42 CCNCCS(=O)(=O)C(C)C 2230a_100000732177_100000210202 [0,2,0,0,0,0|2,0,0]=4 12602 B10R0.42 CCNCCS(=O)(=O)C(C)C 34a_100000732177_100000210202 [0,2,0,0,0,0|2,0,0]=4 12603 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [0,2,0,0,0,0|2,0,0]=4 12604 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [0,2,0,0,0,0|2,0,0]=4 12605 B10R0.62 CCCCCNC(C)(C)CC 2230a_100000211385_100000210326 [0,2,0,0,0,0|1,0,1]=4 12606 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [0,2,0,0,0,0|1,0,0]=3 12607 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [0,2,0,0,0,0|1,0,0]=3 12608 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [0,2,0,0,0,0|1,0,0]=3 12609 B10R0.62 CCCCCNS(=O)(=O)CCl 270084a_100000209983_100000031410 [0,2,0,0,0,0|2,0,0]=4 12610 B10R0.62 CCCCCNS(=O)(=O)CCl 274078a_100000209983_100000031410 [0,2,0,0,0,0|2,0,0]=4 12611 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [0,2,0,0,0,0|1,0,1]=4 12612 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [0,2,0,0,0,0|1,0,1]=4 12613 B10R0.62 CCCCCSC(C)(C)CC 62a_100000032637_100000210326 [0,2,0,0,0,0|1,0,1]=4 12614 B10R0.62 CCCCCSC(C)(C)CC 62a_100000210326_100000032637 [0,2,0,0,0,0|1,0,1]=4 12615 B10R0.62 CCCCNNS(=O)(=O)CC 40a_100025702795_100000053943 [0,2,0,0,0,0|2,0,0]=4 12616 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [0,2,0,0,0,0|1,0,1]=4 12617 B10R0.62 CCCNCCS(=O)(=O)CC 2230a_100000751051_100000210303 [0,2,0,0,0,0|1,0,0]=3 12618 B10R0.62 CCCNCCS(=O)(=O)CC 34a_100000751051_100000210303 [0,2,0,0,0,0|1,0,0]=3 12619 B10R0.62 CCCNCCS(=O)(=O)NC 2230a_100000710037_100000210303 [0,2,0,0,0,0|2,0,0]=4 12620 B10R0.62 CCCNCCS(=O)(=O)NC 34a_100000710037_100000210303 [0,2,0,0,0,0|2,0,0]=4 12621 B10R0.62 CCCOCCS(=O)(=O)CC 34a_100000210258_100000756660 [0,2,0,0,0,0|1,0,0]=3 12622 B10R0.62 CCCOCCS(=O)(=O)CC 34a_200011216379_100000210303 [0,2,0,0,0,0|1,0,0]=3 12623 B10R0.62 CCCOCCS(=O)(=O)CC 7a_200011216379_100000210303 [0,2,0,0,0,0|1,0,0]=3 12624 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000210303_100000756660 [0,2,0,0,0,0|1,0,0]=3 12625 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000756660_100000210303 [0,2,0,0,0,0|1,0,0]=3 12626 B10R0.62 CCOCCNS(=O)(=O)CC 270084a_102516460346_100000211323 [0,2,0,0,0,0|2,0,0]=4 12627 B10R0.62 CCOCCNS(=O)(=O)CC 274078a_102516460346_100000211323 [0,2,0,0,0,0|2,0,0]=4 12628 B10R0.62 CCOCCNS(=O)(=O)CC 40a_100011200944_100000053943 [0,2,0,0,0,0|2,0,0]=4 12629 B10R0.62 CCS(=O)(=O)CCNCCF 2230a_100000751051_100011217306 [0,2,0,0,0,0|2,0,0]=4 12630 B10R0.62 CCS(=O)(=O)CCNCCF 34a_100000724931_100000756660 [0,2,0,0,0,0|2,0,0]=4 12631 B10R0.62 CCS(=O)(=O)CCNCCF 34a_100000751051_100011217306 [0,2,0,0,0,0|2,0,0]=4 12632 B10R0.62 CCS(=O)(=O)CCNCCO 2230a_100000751051_100000211926 [0,2,0,0,0,0|2,0,0]=4 12633 B10R0.62 CCS(=O)(=O)CCNCCO 2230a_100016997473_100000756660 [0,2,0,0,0,0|2,0,0]=4 12634 B10R0.62 CCS(=O)(=O)CCNCCO 34a_100000751051_100000211926 [0,2,0,0,0,0|2,0,0]=4 12635 B10R0.62 CCS(=O)(=O)CCNCCO 34a_100016990907_100000756660 [0,2,0,0,0,0|2,0,0]=4 12636 B10R0.62 CCS(=O)(=O)CCNCOC 2230a_100000751051_100000766300 [0,2,0,0,0,0|2,0,0]=4 12637 B10R0.62 CCS(=O)(=O)CCNCSC 2230a_100000751051_100011218213 [0,2,0,0,0,0|2,0,0]=4 12638 B10R0.62 CCS(=O)(=O)CCNCSC 34a_100000751051_100011218213 [0,2,0,0,0,0|2,0,0]=4 12639 B10R0.62 CCS(=O)(=O)CCOCCBr 34a_100000211926_100000756660 [0,2,0,0,0,0|2,0,0]=4 12640 B10R0.62 CCS(=O)(=O)CCOCCF 34a_200011216379_100011217306 [0,2,0,0,0,0|2,0,0]=4 12641 B10R0.62 CCS(=O)(=O)CCOCCF 7a_200011216379_100011217306 [0,2,0,0,0,0|2,0,0]=4 12642 B10R0.62 CCS(=O)(=O)CCOCCN 34a_100000210304_100000756660 [0,2,0,0,0,0|2,0,0]=4 12643 B10R0.62 CCS(=O)(=O)CCOCCO 34a_200011216379_100000211926 [0,2,0,0,0,0|2,0,0]=4 12644 B10R0.62 CCS(=O)(=O)CCOCCO 7a_200011216379_100000211926 [0,2,0,0,0,0|2,0,0]=4 12645 B10R0.62 CCS(=O)(=O)CCOCSC 34a_200011216379_100011218213 [0,2,0,0,0,0|2,0,0]=4 12646 B10R0.62 CCS(=O)(=O)CCSCCF 62a_100000756660_100011217306 [0,2,0,0,0,0|2,0,0]=4 12647 B10R0.62 CCS(=O)(=O)CCSCCF 62a_100011217306_100000756660 [0,2,0,0,0,0|2,0,0]=4 12648 B10R0.62 CCS(=O)(=O)CCSCCO 62a_100000211926_100000756660 [0,2,0,0,0,0|2,0,0]=4 12649 B10R0.62 CCS(=O)(=O)CCSCCO 62a_100000756660_100000211926 [0,2,0,0,0,0|2,0,0]=4 12650 B10R0.62 CCS(=O)(=O)CCSCOC 62a_100000756660_100000766300 [0,2,0,0,0,0|2,0,0]=4 12651 B10R0.62 CCS(=O)(=O)CCSCOC 62a_100000766300_100000756660 [0,2,0,0,0,0|2,0,0]=4 12652 B10R0.62 CCS(=O)(=O)CCSCSC 62a_100000756660_100011218213 [0,2,0,0,0,0|2,0,0]=4 12653 B10R0.62 CCS(=O)(=O)CCSCSC 62a_100011218213_100000756660 [0,2,0,0,0,0|2,0,0]=4 12654 B10R0.62 CCS(=O)(=O)NCCCCO 270084a_100000750430_100000211323 [0,2,0,0,0,0|2,0,0]=4 12655 B10R0.62 CCS(=O)(=O)NCCCCO 274078a_100000750430_100000211323 [0,2,0,0,0,0|2,0,0]=4 12656 B10R0.62 CCS(=O)(=O)NCCCCO 40a_100000750430_100000053943 [0,2,0,0,0,0|2,0,0]=4 12657 B10R0.62 CCS(=O)(=O)NCCCOC 270084a_100150723488_100000211323 [0,2,0,0,0,0|2,0,0]=4 12658 B10R0.62 CCS(=O)(=O)NCCCOC 274078a_100150723488_100000211323 [0,2,0,0,0,0|2,0,0]=4 12659 B10R0.62 CCS(=O)(=O)NCCCOC 40a_100150723488_100000053943 [0,2,0,0,0,0|2,0,0]=4 12660 B10R0.62 CCS(=O)(=O)NCCCSC 270084a_100000749238_100000211323 [0,2,0,0,0,0|2,0,0]=4 12661 B10R0.62 CCS(=O)(=O)NCCCSC 274078a_100000749238_100000211323 [0,2,0,0,0,0|2,0,0]=4 12662 B10R0.62 CCS(=O)(=O)NCCCSC 40a_100000749238_100000053943 [0,2,0,0,0,0|2,0,0]=4 12663 B10R0.62 CCSCCNS(=O)(=O)CC 270084a_100000106463_100000211323 [0,2,0,0,0,0|2,0,0]=4 12664 B10R0.62 CCSCCNS(=O)(=O)CC 274078a_100000106463_100000211323 [0,2,0,0,0,0|2,0,0]=4 12665 B10R0.62 CCSCCNS(=O)(=O)CC 40a_100000106463_100000053943 [0,2,0,0,0,0|2,0,0]=4 12666 B10R0.115 CCC(=O)CCS(=O)(=O)CC 1458a_100000210414_100000756660 [0,2,0,0,0,0|1,0,0]=3 12667 B10R0.115 CCC(=O)COC(C)(C)CC 7a_100000210230_100000747405 [0,2,0,0,0,0|1,0,0]=3 12668 B10R0.115 CCC(=O)COC(C)(C)CCl 7a_100000764493_100000747405 [0,2,0,0,0,0|2,0,0]=4 12669 B10R0.115 CCC(=O)CSC(C)(C)CC 62a_100000032637_100000747405 [0,2,0,0,0,0|1,0,0]=3 12670 B10R0.115 CCC(=O)CSC(C)(C)CC 62a_100000747405_100000032637 [0,2,0,0,0,0|1,0,0]=3 12671 B10R0.115 CCC(=O)CSC(F)(F)CO 62a_100000747405_100011217949 [0,2,0,0,0,0|2,0,0]=4 12672 B10R0.115 CCC(=O)CSC(F)(F)CO 62a_100011217949_100000747405 [0,2,0,0,0,0|2,0,0]=4 12673 B10R0.115 CCC(=O)NCC(C)(C)CO 240690a_100020635058_100000210414 [0,2,0,0,0,0|2,0,0]=4 12674 B10R0.115 CCC(=O)NCC(C)(C)CO 527a_100020635058_100000210414 [0,2,0,0,0,0|2,0,0]=4 12675 B10R0.115 CCC(=O)NCC(C)(C)OC 11a_100000763424_100000210414 [0,2,0,0,0,0|2,0,0]=4 12676 B10R0.115 CCC(=O)NCC(C)(C)OC 1626a_100000763424_100000210414 [0,2,0,0,0,0|2,0,0]=4 12677 B10R0.115 CCC(=O)NCC(C)(C)OC 240690a_100000763424_100000210414 [0,2,0,0,0,0|2,0,0]=4 12678 B10R0.115 CCC(=O)NCC(C)(C)OC 527a_100000763424_100000210414 [0,2,0,0,0,0|2,0,0]=4 12679 B10R0.115 CCC(=O)NCC(F)(F)CO 240690a_100000703232_100000210414 [0,2,0,0,0,0|2,0,0]=4 12680 B10R0.115 CCC(=O)NCC(F)(F)CO 527a_100000703232_100000210414 [0,2,0,0,0,0|2,0,0]=4 12681 B10R0.115 CCC(C)(C)NCC(=O)NC 2230a_100000211385_100000183359 [0,2,0,0,0,0|2,0,0]=4 12682 B10R0.115 CCC(C)(C)NCC(=O)OC 2230a_100000211385_100000747449 [0,2,0,0,0,0|2,0,0]=4 12683 B10R0.115 CCC(C)(C)OCC(=O)NC 7a_100000210230_100000183359 [0,2,0,0,0,0|2,0,0]=4 12684 B10R0.115 CCC(C)(C)OCC(=O)OC 7a_100000210230_100000747449 [0,2,0,0,0,0|2,0,0]=4 12685 B10R0.115 CCC(C)(C)SCC(=O)NC 62a_100000032637_100000183359 [0,2,0,0,0,0|2,0,0]=4 12686 B10R0.115 CCC(C)(C)SCC(=O)NC 62a_100000183359_100000032637 [0,2,0,0,0,0|2,0,0]=4 12687 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000032637_100000747449 [0,2,0,0,0,0|2,0,0]=4 12688 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000747449_100000032637 [0,2,0,0,0,0|2,0,0]=4 12689 B10R0.115 CCC(C)CNS(=O)(=O)CC 270084a_100020588543_100000211323 [0,2,0,0,0,0|2,0,0]=4 12690 B10R0.115 CCC(C)CNS(=O)(=O)CC 274078a_100020588543_100000211323 [0,2,0,0,0,0|2,0,0]=4 12691 B10R0.115 CCC(C)CNS(=O)(=O)CC 40a_100020588543_100000053943 [0,2,0,0,0,0|2,0,0]=4 12692 B10R0.115 CCC(O)CNS(=O)(=O)CC 270084a_100011218483_100000211323 [0,2,0,0,0,0|2,0,0]=4 12693 B10R0.115 CCC(O)CNS(=O)(=O)CC 274078a_100011218483_100000211323 [0,2,0,0,0,0|2,0,0]=4 12694 B10R0.115 CCC(O)CNS(=O)(=O)CC 40a_100011218483_100000053943 [0,2,0,0,0,0|2,0,0]=4 12695 B10R0.115 CCN(C)CCS(=O)(=O)CC 2230a_100000225621_100000756660 [0,2,0,0,0,0|2,0,0]=4 12696 B10R0.115 CCN(C)CCS(=O)(=O)CC 2230a_100000694288_100000210202 [0,2,0,0,0,0|2,0,0]=4 12697 B10R0.115 CCN(C)CCS(=O)(=O)CC 269982a_100000225621_100000756660 [0,2,0,0,0,0|2,0,0]=4 12698 B10R0.115 CCN(C)CCS(=O)(=O)CC 269982a_100000694288_100000204670 [0,2,0,0,0,0|2,0,0]=4 12699 B10R0.115 CCN(C)CCS(=O)(=O)CC 34a_100000694288_100000210202 [0,2,0,0,0,0|2,0,0]=4 12700 B10R0.115 CCS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000756660 [0,2,0,0,0,0|2,0,0]=4 12701 B10R0.45 C#CC(CC)OCC(=O)CC 7a_100000758843_100000747405 [0,2,0,0,0,0|1,0,0]=3 12702 B10R0.45 C#CC(CC)OCC(=O)NC 34a_100000758843_100000183359 [0,2,0,0,0,0|2,0,0]=4 12703 B10R0.45 C#CC(CC)OCC(=O)NC 7a_100000758843_100000183359 [0,2,0,0,0,0|2,0,0]=4 12704 B10R0.45 C#CC(CC)OCC(=O)OC 34a_100000758843_100000747449 [0,2,0,0,0,0|2,0,0]=4 12705 B10R0.45 C#CC(CC)OCC(=O)OC 7a_100000758843_100000747449 [0,2,0,0,0,0|2,0,0]=4 12706 B10R0.45 C=CC(CC)OCC(=O)CC 7a_100000766422_100000747405 [0,2,0,0,0,0|1,0,0]=3 12707 B10R0.45 C=CC(CC)OCC(=O)NC 34a_100000766422_100000183359 [0,2,0,0,0,0|2,0,0]=4 12708 B10R0.45 C=CC(CC)OCC(=O)NC 7a_100000766422_100000183359 [0,2,0,0,0,0|2,0,0]=4 12709 B10R0.45 C=CC(CC)OCC(=O)OC 34a_100000766422_100000747449 [0,2,0,0,0,0|2,0,0]=4 12710 B10R0.45 C=CC(CC)OCC(=O)OC 7a_100000766422_100000747449 [0,2,0,0,0,0|2,0,0]=4 12711 B10R0.45 CCC(=O)CCC(OC)OC 1458a_100000210414_100000139399 [0,2,0,0,0,0|1,0,0]=3 12712 B10R0.45 CCC(=O)CCC(OC)OC 1458a_200000082759_100000210202 [0,2,0,0,0,0|1,0,0]=3 12713 B10R0.45 CCC(=O)CCN(CC)CC 1458a_100000210414_100000700428 [0,2,0,0,0,0|1,0,0]=3 12714 B10R0.45 CCC(=O)CCN(CC)CC 1458a_100000750416_100000210202 [0,2,0,0,0,0|1,0,0]=3 12715 B10R0.45 CCC(=O)COC(CC)CC 1458a_100012002705_100000210202 [0,2,0,0,0,0|1,0,0]=3 12716 B10R0.45 CCC(=O)COC(CC)CC 7a_100000688536_100000747405 [0,2,0,0,0,0|1,0,0]=3 12717 B10R0.45 CCC(=O)COC(CCl)CCl 7a_100000737055_100000747405 [0,2,0,0,0,0|2,0,0]=4 12718 B10R0.45 CCC(=O)COC(CF)CF 7a_100000032261_100000747405 [0,2,0,0,0,0|2,0,0]=4 12719 B10R0.45 CCC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000747405 [0,2,0,0,0,0|2,0,0]=4 12720 B10R0.45 CCC(=O)CSC(CC)CC 62a_100000210505_100000747405 [0,2,0,0,0,0|1,0,0]=3 12721 B10R0.45 CCC(=O)CSC(CC)CC 62a_100000747405_100000210505 [0,2,0,0,0,0|1,0,0]=3 12722 B10R0.45 CCC(=O)NCC(CC)CC 11a_100102946423_100000210414 [0,2,0,0,0,0|1,0,0]=3 12723 B10R0.45 CCC(=O)NCC(CC)CC 1626a_100102946423_100000210414 [0,2,0,0,0,0|1,0,0]=3 12724 B10R0.45 CCC(=O)NCC(CC)CC 240690a_100102946423_100000210414 [0,2,0,0,0,0|1,0,0]=3 12725 B10R0.45 CCC(=O)NCC(CC)CC 527a_100102946423_100000210414 [0,2,0,0,0,0|1,0,0]=3 12726 B10R0.45 CCC(=O)NCC(CC)OC 11a_100000731041_100000210414 [0,2,0,0,0,0|1,0,0]=3 12727 B10R0.45 CCC(=O)NCC(CC)OC 1626a_100000731041_100000210414 [0,2,0,0,0,0|1,0,0]=3 12728 B10R0.45 CCC(=O)NCC(CC)OC 240690a_100000731041_100000210414 [0,2,0,0,0,0|1,0,0]=3 12729 B10R0.45 CCC(=O)NCC(CC)OC 527a_100000731041_100000210414 [0,2,0,0,0,0|1,0,0]=3 12730 B10R0.45 CCC(=O)NCC(OC)OC 11a_100000210479_100000210414 [0,2,0,0,0,0|2,0,0]=4 12731 B10R0.45 CCC(=O)NCC(OC)OC 1626a_100000210479_100000210414 [0,2,0,0,0,0|2,0,0]=4 12732 B10R0.45 CCC(=O)NCC(OC)OC 240690a_100000210479_100000210414 [0,2,0,0,0,0|2,0,0]=4 12733 B10R0.45 CCC(=O)NCC(OC)OC 527a_100000210479_100000210414 [0,2,0,0,0,0|2,0,0]=4 12734 B10R0.45 CCC(=O)NNC(CC)CC 22a_100000756293_100000210414 [0,2,0,0,0,0|2,0,0]=4 12735 B10R0.45 CCC(CC)CNC(=O)CO 240690a_100102946423_100000210174 [0,2,0,0,0,0|2,0,0]=4 12736 B10R0.45 CCC(CC)CNC(=O)CO 527a_100102946423_100000210174 [0,2,0,0,0,0|2,0,0]=4 12737 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102657272_100102946423 [0,2,0,0,0,0|2,0,0]=4 12738 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102946423_106832991635 [0,2,0,0,0,0|2,0,0]=4 12739 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102657272_100102946423 [0,2,0,0,0,0|2,0,0]=4 12740 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102946423_100102657272 [0,2,0,0,0,0|2,0,0]=4 12741 B10R0.45 CCC(CC)CNC(=O)NC 512a_100102946423_100102657272 [0,2,0,0,0,0|2,0,0]=4 12742 B10R0.45 CCC(CC)CNC(=O)NC 512a_106832991638_100102946423 [0,2,0,0,0,0|2,0,0]=4 12743 B10R0.45 CCC(CC)NCC(=O)NC 2230a_100000199018_100000183359 [0,2,0,0,0,0|2,0,0]=4 12744 B10R0.45 CCC(CC)NCC(=O)NC 270004a_100000693194_100000210860 [0,2,0,0,0,0|2,0,0]=4 12745 B10R0.45 CCC(CC)NCC(=O)OC 2230a_100000199018_100000747449 [0,2,0,0,0,0|2,0,0]=4 12746 B10R0.45 CCC(CC)OCC(=O)CF 1458a_100012002705_100015361967 [0,2,0,0,0,0|2,0,0]=4 12747 B10R0.45 CCC(CC)OCC(=O)NC 11a_106832991635_100012002705 [0,2,0,0,0,0|2,0,0]=4 12748 B10R0.45 CCC(CC)OCC(=O)NC 1626a_100102657272_100012002705 [0,2,0,0,0,0|2,0,0]=4 12749 B10R0.45 CCC(CC)OCC(=O)NC 240690a_100102657272_100012002705 [0,2,0,0,0,0|2,0,0]=4 12750 B10R0.45 CCC(CC)OCC(=O)NC 527a_100102657272_100012002705 [0,2,0,0,0,0|2,0,0]=4 12751 B10R0.45 CCC(CC)OCC(=O)NC 7a_100000688536_100000183359 [0,2,0,0,0,0|2,0,0]=4 12752 B10R0.45 CCC(CC)OCC(=O)OC 7a_100000688536_100000747449 [0,2,0,0,0,0|2,0,0]=4 12753 B10R0.45 CCC(CC)SCC(=O)NC 62a_100000183359_100000210505 [0,2,0,0,0,0|2,0,0]=4 12754 B10R0.45 CCC(CC)SCC(=O)NC 62a_100000210505_100000183359 [0,2,0,0,0,0|2,0,0]=4 12755 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000210505_100000747449 [0,2,0,0,0,0|2,0,0]=4 12756 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000747449_100000210505 [0,2,0,0,0,0|2,0,0]=4 12757 B10R0.45 CCC(CNC(=O)CO)OC 240690a_100000731041_100000210174 [0,2,0,0,0,0|2,0,0]=4 12758 B10R0.45 CCC(CNC(=O)CO)OC 527a_100000731041_100000210174 [0,2,0,0,0,0|2,0,0]=4 12759 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100000731041_106832991635 [0,2,0,0,0,0|2,0,0]=4 12760 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100102657272_100000731041 [0,2,0,0,0,0|2,0,0]=4 12761 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100000731041_100102657272 [0,2,0,0,0,0|2,0,0]=4 12762 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100102657272_100000731041 [0,2,0,0,0,0|2,0,0]=4 12763 B10R0.45 CCC(CNC(=O)NC)OC 512a_100000731041_100102657272 [0,2,0,0,0,0|2,0,0]=4 12764 B10R0.45 CCC(CNC(=O)NC)OC 512a_106832991638_100000731041 [0,2,0,0,0,0|2,0,0]=4 12765 B10R0.45 CCN(CC)CCC(=O)CF 1458a_100000750416_100015361967 [0,2,0,0,0,0|2,0,0]=4 12766 B10R0.45 CCN(CC)CCC(=O)CO 1458a_100000210174_100000700428 [0,2,0,0,0,0|2,0,0]=4 12767 B10R0.45 CCN(CC)CCC(=O)NC 11a_106832991635_100000750416 [0,2,0,0,0,0|2,0,0]=4 12768 B10R0.45 CCN(CC)CCC(=O)NC 2230a_100000724800_100000737683 [0,2,0,0,0,0|2,0,0]=4 12769 B10R0.45 CCN(CC)CCC(=O)NC 240690a_100102657272_100000750416 [0,2,0,0,0,0|2,0,0]=4 12770 B10R0.45 CCN(CC)CCC(=O)NC 269956a_100000042499_100000737683 [0,2,0,0,0,0|2,0,0]=4 12771 B10R0.45 CCN(CC)CCC(=O)NC 269982a_100000724800_100000737683 [0,2,0,0,0,0|2,0,0]=4 12772 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000229097_100000210202 [0,2,0,0,0,0|2,0,0]=4 12773 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000724800_100000204255 [0,2,0,0,0,0|2,0,0]=4 12774 B10R0.45 CCN(CC)CCC(=O)OC 269956a_100000042499_100000204255 [0,2,0,0,0,0|2,0,0]=4 12775 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000229097_100000204670 [0,2,0,0,0,0|2,0,0]=4 12776 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000724800_100000204255 [0,2,0,0,0,0|2,0,0]=4 12777 B10R0.45 CCN(CF)CCC(=O)OC 269982a_100000229097_100015361967 [0,2,0,0,0,0|2,0,0]=4 12778 B10R0.45 CC[C@@H](CO)NCC(=O)NC 2230a_100000709445_100000183359 [0,2,0,0,0,0|2,0,0]=4 12779 B10R0.45 CC[C@@H](CO)NCC(=O)OC 2230a_100000709445_100000747449 [0,2,0,0,0,0|2,0,0]=4 12780 B10R0.45 CNC(=O)CCC(OC)OC 11a_106832991635_200000082759 [0,2,0,0,0,0|2,0,0]=4 12781 B10R0.45 CNC(=O)CCC(OC)OC 1626a_100102657272_200000082759 [0,2,0,0,0,0|2,0,0]=4 12782 B10R0.45 CNC(=O)CCC(OC)OC 240690a_100102657272_200000082759 [0,2,0,0,0,0|2,0,0]=4 12783 B10R0.45 CNC(=O)CCC(OC)OC 527a_100102657272_200000082759 [0,2,0,0,0,0|2,0,0]=4 12784 B10R0.45 COC(CCC(=O)CF)OC 1458a_200000082759_100015361967 [0,2,0,0,0,0|2,0,0]=4 12785 B10R0.45 COC(CCC(=O)CO)OC 1458a_100000210174_100000139399 [0,2,0,0,0,0|2,0,0]=4 12786 B10R0.18 C#CCCC(=O)CC(=O)CC 1458a_100000692101_100000747405 [0,2,0,0,0,0|0,0,2]=4 12787 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [0,2,0,0,0,0|1,0,1]=4 12788 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,2,0,0,0,0|0,0,2]=4 12789 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,2,0,0,0,0|0,0,2]=4 12790 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [0,2,0,0,0,0|0,0,2]=4 12791 B10R0.18 C=CCCN(C)CC(=O)CC 269982a_100020639649_100000747405 [0,2,0,0,0,0|0,0,2]=4 12792 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [0,2,0,0,0,0|0,0,2]=4 12793 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [0,2,0,0,0,0|0,0,2]=4 12794 B10R0.18 CCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747405 [0,2,0,0,0,0|0,0,2]=4 12795 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|0,0,1]=3 12796 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|0,0,1]=3 12797 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [0,2,0,0,0,0|1,0,0]=3 12798 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [0,2,0,0,0,0|1,0,0]=3 12799 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [0,2,0,0,0,0|1,0,0]=3 12800 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,2,0,0,0,0|0,0,2]=4 12801 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,2,0,0,0,0|1,0,1]=4 12802 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|0,0,0]=2 12803 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|1,0,0]=3 12804 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|1,0,0]=3 12805 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|1,0,0]=3 12806 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|1,0,1]=4 12807 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|1,0,1]=4 12808 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|0,0,2]=4 12809 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|0,0,2]=4 12810 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,2,0,0,0,0|2,0,0]=4 12811 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|1,0,1]=4 12812 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|0,0,0]=2 12813 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|0,0,0]=2 12814 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|0,0,0]=2 12815 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|0,0,0]=2 12816 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|1,0,0]=3 12817 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|1,0,0]=3 12818 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,0,0,0,0|1,0,0]=3 12819 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,0,0,0,0|1,0,0]=3 12820 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,0,0,0,0|1,0,0]=3 12821 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,0,0,0,0|1,0,0]=3 12822 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,0,0,0,0|1,0,0]=3 12823 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,0,0,0,0|1,0,0]=3 12824 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [0,2,0,0,0,0|1,0,1]=4 12825 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [0,2,0,0,0,0|1,0,1]=4 12826 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [0,2,0,0,0,0|1,0,1]=4 12827 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,2,0,0,0,0|1,0,1]=4 12828 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,2,0,0,0,0|1,0,1]=4 12829 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,2,0,0,0,0|1,0,1]=4 12830 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [0,2,0,0,0,0|1,0,1]=4 12831 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [0,2,0,0,0,0|1,0,1]=4 12832 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,2,0,0,0,0|0,0,0]=2 12833 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,2,0,0,0,0|1,0,0]=3 12834 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,2,0,0,0,0|1,0,0]=3 12835 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,2,0,0,0,0|1,0,0]=3 12836 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|1,0,0]=3 12837 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|1,0,0]=3 12838 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|1,0,0]=3 12839 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [0,2,0,0,0,0|1,0,1]=4 12840 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [0,2,0,0,0,0|1,0,1]=4 12841 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [0,2,0,0,0,0|1,0,1]=4 12842 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [0,2,0,0,0,0|1,0,1]=4 12843 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [0,2,0,0,0,0|1,0,1]=4 12844 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [0,2,0,0,0,0|0,0,2]=4 12845 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [0,2,0,0,0,0|0,0,2]=4 12846 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [0,2,0,0,0,0|1,0,1]=4 12847 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [0,2,0,0,0,0|1,0,1]=4 12848 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,2,0,0,0,0|0,0,1]=3 12849 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,2,0,0,0,0|1,0,1]=4 12850 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|1,0,1]=4 12851 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [0,2,0,0,0,0|1,0,1]=4 12852 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [0,2,0,0,0,0|1,0,1]=4 12853 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|0,0,1]=3 12854 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|1,0,1]=4 12855 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|1,0,0]=3 12856 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,2,0,0,0,0|1,0,0]=3 12857 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,2,0,0,0,0|1,0,0]=3 12858 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|0,0,1]=3 12859 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 12860 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|1,0,1]=4 12861 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|1,0,0]=3 12862 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|0,0,1]=3 12863 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,2,0,0,0,0|1,0,1]=4 12864 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|1,0,1]=4 12865 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|1,0,1]=4 12866 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|1,0,1]=4 12867 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,2,0,0,0,0|1,0,0]=3 12868 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,2,0,0,0,0|1,0,0]=3 12869 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|1,0,1]=4 12870 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,1]=4 12871 B10R0.18 CNC(=O)CN(C)CCCF 2230a_100000189611_100011934791 [0,2,0,0,0,0|2,0,0]=4 12872 B10R0.18 CNC(=O)CN(C)CCCO 2230a_100000189611_100000230001 [0,2,0,0,0,0|2,0,0]=4 12873 B10R0.18 CNC(=O)CN(C)CCCO 2230a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 12874 B10R0.18 CNC(=O)CN(C)CCCO 269982a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 12875 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000189611_100011201679 [0,2,0,0,0,0|2,0,0]=4 12876 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000743101_100000183359 [0,2,0,0,0,0|2,0,0]=4 12877 B10R0.18 CNC(=O)CN(C)CCOC 240690a_100102657272_100015184299 [0,2,0,0,0,0|2,0,0]=4 12878 B10R0.18 CNC(=O)CN(C)CCOC 269982a_100000743101_100000183359 [0,2,0,0,0,0|2,0,0]=4 12879 B10R0.18 CNC(=O)CN(C)CCOC 527a_100102657272_100015184299 [0,2,0,0,0,0|2,0,0]=4 12880 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000189611_100000751147 [0,2,0,0,0,0|2,0,0]=4 12881 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000686725_100000183359 [0,2,0,0,0,0|2,0,0]=4 12882 B10R0.18 CNC(=O)CN(C)CCSC 269982a_100000686725_100000183359 [0,2,0,0,0,0|2,0,0]=4 12883 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|1,0,1]=4 12884 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|1,0,1]=4 12885 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,0,1]=4 12886 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,0,1]=4 12887 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [0,2,0,0,0,0|2,0,0]=4 12888 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,2,0,0,0,0|2,0,0]=4 12889 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,2,0,0,0,0|2,0,0]=4 12890 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 12891 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,2,0,0,0,0|2,0,0]=4 12892 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [0,2,0,0,0,0|2,0,0]=4 12893 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [0,2,0,0,0,0|2,0,0]=4 12894 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 12895 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,2,0,0,0,0|2,0,0]=4 12896 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [0,2,0,0,0,0|2,0,0]=4 12897 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [0,2,0,0,0,0|2,0,0]=4 12898 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,2,0,0,0,0|2,0,0]=4 12899 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,2,0,0,0,0|2,0,0]=4 12900 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 12901 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 12902 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,2,0,0,0,0|2,0,0]=4 12903 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,2,0,0,0,0|2,0,0]=4 12904 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,2,0,0,0,0|2,0,0]=4 12905 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [0,2,0,0,0,0|2,0,0]=4 12906 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [0,2,0,0,0,0|2,0,0]=4 12907 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|1,0,1]=4 12908 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|1,0,1]=4 12909 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,2,0,0,0,0|2,0,0]=4 12910 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,2,0,0,0,0|2,0,0]=4 12911 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,2,0,0,0,0|2,0,0]=4 12912 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [0,2,0,0,0,0|2,0,0]=4 12913 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [0,2,0,0,0,0|2,0,0]=4 12914 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,2,0,0,0,0|0,0,2]=4 12915 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|0,0,1]=3 12916 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,2,0,0,0,0|1,0,1]=4 12917 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,2,0,0,0,0|1,0,1]=4 12918 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,2,0,0,0,0|0,0,1]=3 12919 B10R0.26 C=C(CCC)CC(=O)N(C)C 11a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 12920 B10R0.26 C=C(CCC)CC(=O)N(C)C 240690a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 12921 B10R0.26 C=C(CCC)CC(=O)N(C)C 527a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 12922 B10R0.26 CC(C)C(=O)CC(=O)CCO 1458a_100011216618_100000753385 [0,2,0,0,0,0|1,0,1]=4 12923 B10R0.26 CC(C)C(=O)CN(C)CCO 2230a_100000210263_100000753385 [0,2,0,0,0,0|2,0,0]=4 12924 B10R0.26 CC(C)C(=O)CN(C)CCO 269982a_100000210263_100000753385 [0,2,0,0,0,0|2,0,0]=4 12925 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000210198 [0,2,0,0,0,0|2,0,0]=4 12926 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000210198 [0,2,0,0,0,0|2,0,0]=4 12927 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 240690a_100000706166_100000062450 [0,2,0,0,0,0|2,0,0]=4 12928 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 527a_100000706166_100000062450 [0,2,0,0,0,0|2,0,0]=4 12929 B10R0.26 CCCC(=CC(=O)C(C)C)C 1458a_100020676950_100000210206 [0,2,0,0,0,0|0,0,2]=4 12930 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|0,0,2]=4 12931 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,2,0,0,0,0|0,0,1]=3 12932 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,2,0,0,0,0|0,0,1]=3 12933 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,2,0,0,0,0|0,0,1]=3 12934 B10R0.26 CCCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747444 [0,2,0,0,0,0|1,0,1]=4 12935 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [0,2,0,0,0,0|1,0,1]=4 12936 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,2,0,0,0,0|0,0,1]=3 12937 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,2,0,0,0,0|0,0,1]=3 12938 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,2,0,0,0,0|0,0,0]=2 12939 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,2,0,0,0,0|0,0,0]=2 12940 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,2,0,0,0,0|0,0,0]=2 12941 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,2,0,0,0,0|1,0,0]=3 12942 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 12943 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 12944 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 12945 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 12946 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|0,0,0]=2 12947 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|0,0,0]=2 12948 B10R0.26 CCCC(C)CN(C)C(C)C 269982a_200000211004_100011216630 [0,2,0,0,0,0|2,0,0]=4 12949 B10R0.26 CCCC(C)CN(C)C(C)C 270004a_200000211004_100000243154 [0,2,0,0,0,0|2,0,0]=4 12950 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [0,2,0,0,0,0|1,0,0]=3 12951 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [0,2,0,0,0,0|1,0,0]=3 12952 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [0,2,0,0,0,0|1,0,0]=3 12953 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [0,2,0,0,0,0|1,0,0]=3 12954 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [0,2,0,0,0,0|1,0,0]=3 12955 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [0,2,0,0,0,0|1,0,0]=3 12956 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [0,2,0,0,0,0|1,0,0]=3 12957 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [0,2,0,0,0,0|1,0,0]=3 12958 B10R0.26 CCCC(C)NC(=O)C(F)F 11a_100000741246_100000210393 [0,2,0,0,0,0|2,0,0]=4 12959 B10R0.26 CCCC(C)NC(=O)C(F)F 1626a_100000741246_100000210393 [0,2,0,0,0,0|2,0,0]=4 12960 B10R0.26 CCCC(C)NC(=O)C(F)F 240690a_100000741246_100000210393 [0,2,0,0,0,0|2,0,0]=4 12961 B10R0.26 CCCC(C)NC(=O)C(F)F 527a_100000741246_100000210393 [0,2,0,0,0,0|2,0,0]=4 12962 B10R0.26 CCCC(C)NC(=O)C(O)O 240690a_100000741246_100000233687 [0,2,0,0,0,0|2,0,0]=4 12963 B10R0.26 CCCC(C)NC(=O)N(C)C 2708a_100000741246_100102631434 [0,2,0,0,0,0|2,0,0]=4 12964 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,2,0,0,0,0|1,0,0]=3 12965 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,2,0,0,0,0|1,0,0]=3 12966 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,2,0,0,0,0|1,0,0]=3 12967 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|1,0,1]=4 12968 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [0,2,0,0,0,0|1,0,0]=3 12969 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [0,2,0,0,0,0|1,0,0]=3 12970 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210303 [0,2,0,0,0,0|2,0,0]=4 12971 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000213585_200000210301 [0,2,0,0,0,0|2,0,0]=4 12972 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000747261_100000185267 [0,2,0,0,0,0|2,0,0]=4 12973 B10R0.26 CCCN(C)CC(=O)N(C)C 269982a_100000747261_100000185267 [0,2,0,0,0,0|2,0,0]=4 12974 B10R0.26 CCCN([13CH3])CC(=O)N(C)C 2230a_100000213585_200025704644 [0,2,0,0,0,0|2,0,0]=4 12975 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,2,0,0,0,0|1,0,0]=3 12976 B10R0.26 CCCS(=O)CC(=O)N(C)C 11a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 12977 B10R0.26 CCCS(=O)CC(=O)N(C)C 1626a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 12978 B10R0.26 CCCS(=O)CC(=O)N(C)C 240690a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 12979 B10R0.26 CCCS(=O)CC(=O)N(C)C 527a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 12980 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [0,2,0,0,0,0|1,0,1]=4 12981 B10R0.26 CCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183381 [0,2,0,0,0,0|1,0,1]=4 12982 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [0,2,0,0,0,0|1,0,1]=4 12983 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [0,2,0,0,0,0|1,0,1]=4 12984 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,2,0,0,0,0|1,0,1]=4 12985 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,2,0,0,0,0|1,0,1]=4 12986 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,2,0,0,0,0|1,0,1]=4 12987 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,2,0,0,0,0|1,0,1]=4 12988 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,2,0,0,0,0|1,0,1]=4 12989 B10R0.26 CCSC(C)CC(=O)C(C)C 1458a_200011311441_100000210206 [0,2,0,0,0,0|1,0,0]=3 12990 B10R0.26 CCSC(C)CC(=O)N(C)C 11a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 12991 B10R0.26 CCSC(C)CC(=O)N(C)C 1626a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 12992 B10R0.26 CCSC(C)CC(=O)N(C)C 240690a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 12993 B10R0.26 CCSC(C)CC(=O)N(C)C 527a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 12994 B10R0.26 COCC(=O)CC(=O)C(C)C 1458a_100000210968_100000753385 [0,2,0,0,0,0|1,0,1]=4 12995 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 11a_100000764878_100000210198 [0,2,0,0,0,0|2,0,0]=4 12996 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 1626a_100000764878_100000210198 [0,2,0,0,0,0|2,0,0]=4 12997 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 240690a_100000764878_100000210198 [0,2,0,0,0,0|2,0,0]=4 12998 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 527a_100000764878_100000210198 [0,2,0,0,0,0|2,0,0]=4 12999 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 11a_100000764878_100000062450 [0,2,0,0,0,0|2,0,0]=4 13000 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 1626a_100000764878_100000062450 [0,2,0,0,0,0|2,0,0]=4 13001 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 240690a_100000764878_100000062450 [0,2,0,0,0,0|2,0,0]=4 13002 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 527a_100000764878_100000062450 [0,2,0,0,0,0|2,0,0]=4 13003 B10R0.26 COC[C@@H](C)NC(=O)[C@@H](C)O 240690a_100000764878_100000717761 [0,2,0,0,0,0|2,0,0]=4 13004 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 1626a_100000764878_217856618621 [0,2,0,0,0,0|2,0,0]=4 13005 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 240690a_100000764878_217856618621 [0,2,0,0,0,0|2,0,0]=4 13006 B10R0.26 CSCC(=O)CC(=O)C(C)C 1458a_100000184570_100000753385 [0,2,0,0,0,0|1,0,1]=4 13007 B10R0.26 C[C@H](CCO)NC(=O)[C@@H](C)O 240690a_100000706166_100000717761 [0,2,0,0,0,0|2,0,0]=4 13008 B10R0.26 C[C@H](CCO)NC(=O)[C@H](C)O 240690a_100000706166_217856618621 [0,2,0,0,0,0|2,0,0]=4 13009 B10R0.29 CCC(=O)CN(CC)CCO 269982a_100000210973_100000747405 [0,2,0,0,0,0|2,0,0]=4 13010 B10R0.29 CCC(=O)NC(CC)COC 11a_100000757820_100000210414 [0,2,0,0,0,0|2,0,0]=4 13011 B10R0.29 CCC(=O)NC(CC)COC 1626a_100000757820_100000210414 [0,2,0,0,0,0|2,0,0]=4 13012 B10R0.29 CCC(=O)NC(CC)COC 240690a_100000757820_100000210414 [0,2,0,0,0,0|2,0,0]=4 13013 B10R0.29 CCC(=O)NC(CC)COC 527a_100000757820_100000210414 [0,2,0,0,0,0|2,0,0]=4 13014 B10R0.29 CCC(=O)NC(CO)COC 240690a_100000724102_100000210414 [0,2,0,0,0,0|2,0,0]=4 13015 B10R0.29 CCC(=O)NC(CO)COC 527a_100000724102_100000210414 [0,2,0,0,0,0|2,0,0]=4 13016 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [0,2,0,0,0,0|1,0,0]=3 13017 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [0,2,0,0,0,0|1,0,0]=3 13018 B10R0.29 CCCC(CC)NC(=O)CC 11a_100000747048_100000210414 [0,2,0,0,0,0|1,0,0]=3 13019 B10R0.29 CCCC(CC)NC(=O)CC 1626a_100000747048_100000210414 [0,2,0,0,0,0|1,0,0]=3 13020 B10R0.29 CCCC(CC)NC(=O)CC 240690a_100000747048_100000210414 [0,2,0,0,0,0|1,0,0]=3 13021 B10R0.29 CCCC(CC)NC(=O)CC 527a_100000747048_100000210414 [0,2,0,0,0,0|1,0,0]=3 13022 B10R0.29 CCCC(CC)NC(=O)CO 240690a_100000747048_100000210174 [0,2,0,0,0,0|2,0,0]=4 13023 B10R0.29 CCCC(CC)NC(=O)CO 527a_100000747048_100000210174 [0,2,0,0,0,0|2,0,0]=4 13024 B10R0.29 CCCC(CC)NC(=O)NC 2708a_100000747048_106832991635 [0,2,0,0,0,0|2,0,0]=4 13025 B10R0.29 CCCC(CC)NC(=O)NC 2708a_100102657272_100000747048 [0,2,0,0,0,0|2,0,0]=4 13026 B10R0.29 CCCC(CC)NC(=O)NC 273464a_100000747048_100102657272 [0,2,0,0,0,0|2,0,0]=4 13027 B10R0.29 CCCC(CC)NC(=O)NC 273464a_100102657272_100000747048 [0,2,0,0,0,0|2,0,0]=4 13028 B10R0.29 CCCC(CC)NC(=O)NC 512a_100000747048_100102657272 [0,2,0,0,0,0|2,0,0]=4 13029 B10R0.29 CCCC(CC)NC(=O)NC 512a_106832991638_100000747048 [0,2,0,0,0,0|2,0,0]=4 13030 B10R0.29 CCCN(CC)CC(=O)CC 269982a_100000226822_100000747405 [0,2,0,0,0,0|1,0,0]=3 13031 B10R0.29 CCCN(CC)CC(=O)NC 2230a_100000226822_100000183359 [0,2,0,0,0,0|2,0,0]=4 13032 B10R0.29 CCCN(CC)CC(=O)NC 269982a_100000226822_100000183359 [0,2,0,0,0,0|2,0,0]=4 13033 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [0,2,0,0,0,0|2,0,0]=4 13034 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [0,2,0,0,0,0|2,0,0]=4 13035 B10R0.29 CCC[C@@H](CO)NC(=O)CC 240690a_100000732646_100000210414 [0,2,0,0,0,0|1,0,0]=3 13036 B10R0.29 CCC[C@@H](CO)NC(=O)CC 527a_100000732646_100000210414 [0,2,0,0,0,0|1,0,0]=3 13037 B10R0.29 CCC[C@@H](CO)NC(=O)CO 240690a_100000732646_100000210174 [0,2,0,0,0,0|2,0,0]=4 13038 B10R0.29 CCC[C@@H](CO)NC(=O)CO 527a_100000732646_100000210174 [0,2,0,0,0,0|2,0,0]=4 13039 B10R0.29 CCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000732646 [0,2,0,0,0,0|2,0,0]=4 13040 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100000732646_100102657272 [0,2,0,0,0,0|2,0,0]=4 13041 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000732646 [0,2,0,0,0,0|2,0,0]=4 13042 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_100000732646_100102657272 [0,2,0,0,0,0|2,0,0]=4 13043 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_106832991638_100000732646 [0,2,0,0,0,0|2,0,0]=4 13044 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [0,2,0,0,0,0|2,0,0]=4 13045 B10R0.29 CCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210202 [0,2,0,0,0,0|2,0,0]=4 13046 B10R0.34 CCCC(C)CN(CC)CC 2230a_100000724800_100011216630 [0,2,0,0,0,0|2,0,0]=4 13047 B10R0.34 CCCC(C)CN(CC)CC 269956a_100000042499_100011216630 [0,2,0,0,0,0|2,0,0]=4 13048 B10R0.34 CCCC(C)CN(CC)CC 269982a_100000724800_100011216630 [0,2,0,0,0,0|2,0,0]=4 13049 B10R0.34 CCCC(C)CN(CC)CC 270004a_100000724800_100000243154 [0,2,0,0,0,0|2,0,0]=4 13050 B10R0.148 CCC(=O)NC(C)(C)CCO 240690a_100000763138_100000210414 [0,2,0,0,0,0|2,0,0]=4 13051 B10R0.148 CCC(=O)NC(C)(C)CCO 527a_100000763138_100000210414 [0,2,0,0,0,0|2,0,0]=4 13052 B10R0.148 CCC(=O)NC(C)(C)COC 11a_100000752728_100000210414 [0,2,0,0,0,0|2,0,0]=4 13053 B10R0.148 CCC(=O)NC(C)(C)COC 1626a_100000752728_100000210414 [0,2,0,0,0,0|2,0,0]=4 13054 B10R0.148 CCC(=O)NC(C)(C)COC 240690a_100000752728_100000210414 [0,2,0,0,0,0|2,0,0]=4 13055 B10R0.148 CCC(=O)NC(C)(C)COC 527a_100000752728_100000210414 [0,2,0,0,0,0|2,0,0]=4 13056 B10R0.148 CCC(=O)NC(C)(C)CSC 11a_100000759623_100000210414 [0,2,0,0,0,0|2,0,0]=4 13057 B10R0.148 CCC(=O)NC(C)(C)CSC 1626a_100000759623_100000210414 [0,2,0,0,0,0|2,0,0]=4 13058 B10R0.148 CCC(=O)NC(C)(C)CSC 240690a_100000759623_100000210414 [0,2,0,0,0,0|2,0,0]=4 13059 B10R0.148 CCC(=O)NC(C)(C)CSC 527a_100000759623_100000210414 [0,2,0,0,0,0|2,0,0]=4 13060 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [0,2,0,0,0,0|0,0,0]=2 13061 B10R0.148 CCCC(C)(O)CC(=O)CF 1458a_100011667670_100015361967 [0,2,0,0,0,0|1,0,0]=3 13062 B10R0.148 CCCC(C)(O)CC(=O)NC 240690a_100102657272_100011667670 [0,2,0,0,0,0|1,0,0]=3 13063 B10R0.148 CCCC(C)(O)CC(=O)NC 527a_100102657272_100011667670 [0,2,0,0,0,0|1,0,0]=3 13064 B10R0.148 CCCS(=O)(=O)NC(=O)CC 2740a_100000171175_100000210414 [0,2,0,0,0,0|2,0,0]=4 13065 B10R0.148 CCOC(C)(C)CC(=O)OC 7a_100015205050_100000210202 [0,2,0,0,0,0|2,0,0]=4 13066 B10R0.148 CCO[Si](C)(C)CC(=O)CC 1458a_100000210414_200000065227 [0,2,0,0,0,0|1,1,0]=4 13067 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [0,2,0,0,0,0|1,0,1]=4 13068 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [0,2,0,0,0,0|1,0,1]=4 13069 B10R0.41 C=CC(=NNCCCC)CC 4a_100025702795_100000747743 [0,2,0,0,0,0|2,0,0]=4 13070 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,2,0,0,0,0|1,0,1]=4 13071 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,2,0,0,0,0|1,0,1]=4 13072 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [0,2,0,0,0,0|1,0,1]=4 13073 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|0,0,2]=4 13074 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|0,0,2]=4 13075 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|0,0,2]=4 13076 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|0,0,2]=4 13077 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [0,2,0,0,0,0|2,0,0]=4 13078 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [0,2,0,0,0,0|2,0,0]=4 13079 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [0,2,0,0,0,0|2,0,0]=4 13080 B10R0.41 CCCCCNC(CC)CC 2230a_100000199018_100000210326 [0,2,0,0,0,0|1,0,1]=4 13081 B10R0.41 CCCCCNC(CC)CC 270004a_100000209983_100000210860 [0,2,0,0,0,0|1,0,1]=4 13082 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [0,2,0,0,0,0|0,0,2]=4 13083 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [0,2,0,0,0,0|1,0,1]=4 13084 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [0,2,0,0,0,0|1,0,1]=4 13085 B10R0.41 CCCCCSC(CC)CC 62a_100000210326_100000210505 [0,2,0,0,0,0|1,0,1]=4 13086 B10R0.41 CCCCCSC(CC)CC 62a_100000210505_100000210326 [0,2,0,0,0,0|1,0,1]=4 13087 B10R0.41 CCCCNCC(CC)CC 2230a_100000102301_100011215472 [0,2,0,0,0,0|1,0,1]=4 13088 B10R0.41 CCCCNCC(CC)CC 2230a_100102946423_100000210211 [0,2,0,0,0,0|1,0,1]=4 13089 B10R0.41 CCCCNCC(CC)CC 269862a_100000102301_100000211137 [0,2,0,0,0,0|1,0,1]=4 13090 B10R0.41 CCCCNCC(CC)CC 270004a_100000102301_100000211137 [0,2,0,0,0,0|1,0,1]=4 13091 B10R0.41 CCCCNCC(CC)CC 7a_106832991798_100011215472 [0,2,0,0,0,0|1,0,1]=4 13092 B10R0.41 CCCCNN=C(CC)CC 4a_100025702795_100000210860 [0,2,0,0,0,0|2,0,0]=4 13093 B10R0.41 CCCCNN=C(CC)CO 4a_100025702795_100000725409 [0,2,0,0,0,0|1,0,1]=4 13094 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [0,2,0,0,0,0|1,0,1]=4 13095 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [0,2,0,0,0,0|1,0,1]=4 13096 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [0,2,0,0,0,0|1,0,1]=4 13097 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,2,0,0,0,0|0,0,2]=4 13098 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,2,0,0,0,0|0,0,2]=4 13099 B10R0.41 CCCCOCN(CC)CC 2230a_100000724800_100011995733 [0,2,0,0,0,0|2,0,0]=4 13100 B10R0.41 CCCCOCN(CC)CC 269956a_100000042499_100011995733 [0,2,0,0,0,0|2,0,0]=4 13101 B10R0.41 CCCCOCN(CC)CC 269982a_100000724800_100011995733 [0,2,0,0,0,0|2,0,0]=4 13102 B10R0.41 CCCCOCN(CC)CC 7a_200015374951_100000210211 [0,2,0,0,0,0|2,0,0]=4 13103 B10R0.41 CCCCSCC(CC)CC 62a_100000210211_100011215472 [0,2,0,0,0,0|1,0,1]=4 13104 B10R0.41 CCCCSCC(CC)CC 62a_100011215472_100000210210 [0,2,0,0,0,0|1,0,1]=4 13105 B10R0.41 CCCNCCN(CC)CC 2230a_100015382049_100000210303 [0,2,0,0,0,0|2,0,0]=4 13106 B10R0.41 CCCOCCN(CC)CC 2230a_100000724800_100011215938 [0,2,0,0,0,0|2,0,0]=4 13107 B10R0.41 CCCOCCN(CC)CC 269956a_100000042499_100011215938 [0,2,0,0,0,0|2,0,0]=4 13108 B10R0.41 CCCOCCN(CC)CC 269982a_100000724800_100011215938 [0,2,0,0,0,0|2,0,0]=4 13109 B10R0.41 CCCOCCN(CC)CC 7a_100016990331_100000210303 [0,2,0,0,0,0|2,0,0]=4 13110 B10R0.41 CCCSCCN(CC)CC 62a_100000210303_100000700428 [0,2,0,0,0,0|2,0,0]=4 13111 B10R0.41 CCN(CC)CCCCCF 2230a_100000724800_100000729378 [0,2,0,0,0,0|2,0,0]=4 13112 B10R0.41 CCN(CC)CCCCCF 269956a_100000042499_100000729378 [0,2,0,0,0,0|2,0,0]=4 13113 B10R0.41 CCN(CC)CCCCCF 269982a_100000724800_100000729378 [0,2,0,0,0,0|2,0,0]=4 13114 B10R0.41 CCN(CC)CCCCCO 2230a_100000724800_100000746330 [0,2,0,0,0,0|2,0,0]=4 13115 B10R0.41 CCN(CC)CCCCCO 269956a_100000042499_100000746330 [0,2,0,0,0,0|2,0,0]=4 13116 B10R0.41 CCN(CC)CCCCCO 269982a_100000724800_100000746330 [0,2,0,0,0,0|2,0,0]=4 13117 B10R0.41 CCN(CC)CCCCNC 2230a_100000743895_200000210301 [0,2,0,0,0,0|2,0,0]=4 13118 B10R0.41 CCN(CC)CCCCN[13CH3] 2230a_100000743895_200025704644 [0,2,0,0,0,0|2,0,0]=4 13119 B10R0.41 CCN(CC)CCCCOC 2230a_100000724800_100000730899 [0,2,0,0,0,0|2,0,0]=4 13120 B10R0.41 CCN(CC)CCCCOC 269956a_100000042499_100000730899 [0,2,0,0,0,0|2,0,0]=4 13121 B10R0.41 CCN(CC)CCCCOC 269982a_100000724800_100000730899 [0,2,0,0,0,0|2,0,0]=4 13122 B10R0.41 CCN(CC)CCCCOC 7a_100011305530_200000210301 [0,2,0,0,0,0|2,0,0]=4 13123 B10R0.41 CCN(CC)CCCCO[13CH3] 7a_100011305530_200025704644 [0,2,0,0,0,0|2,0,0]=4 13124 B10R0.41 CCN(CCCCOC)N=O 34a_200000035056_200000210301 [0,2,0,0,0,0|1,0,0]=3 13125 B10R0.41 CCN(CCCCO[13CH3])N=O 34a_200000035056_200025704644 [0,2,0,0,0,0|1,0,0]=3 13126 B10R0.41 CCNCCCN(CC)CC 2230a_100015525214_100000709985 [0,2,0,0,0,0|2,0,0]=4 13127 B10R0.41 CCOCCCN(CC)CC 2230a_100000724800_100012232248 [0,2,0,0,0,0|2,0,0]=4 13128 B10R0.41 CCOCCCN(CC)CC 269956a_100000042499_100012232248 [0,2,0,0,0,0|2,0,0]=4 13129 B10R0.41 CCOCCCN(CC)CC 269982a_100000724800_100012232248 [0,2,0,0,0,0|2,0,0]=4 13130 B10R0.41 CCOCCCN(CC)CC 7a_100000212844_100000210202 [0,2,0,0,0,0|2,0,0]=4 13131 B10R0.41 CCSCCCN(CC)CC 62a_100000210202_100000709985 [0,2,0,0,0,0|2,0,0]=4 13132 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,2,0,0,0,0|0,0,2]=4 13133 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,2,0,0,0,0|0,0,2]=4 13134 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [0,2,0,0,0,0|1,0,1]=4 13135 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,2,0,0,0,0|0,0,1]=3 13136 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,2,0,0,0,0|1,0,1]=4 13137 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,2,0,0,0,0|1,0,1]=4 13138 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,2,0,0,0,0|1,0,1]=4 13139 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,2,0,0,0,0|0,0,1]=3 13140 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,2,0,0,0,0|0,0,1]=3 13141 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,2,0,0,0,0|1,0,1]=4 13142 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,2,0,0,0,0|1,0,1]=4 13143 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,2,0,0,0,0|1,0,1]=4 13144 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,2,0,0,0,0|1,0,1]=4 13145 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [0,2,0,0,0,0|1,0,1]=4 13146 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [0,2,0,0,0,0|1,0,1]=4 13147 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [0,2,0,0,0,0|1,0,1]=4 13148 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [0,2,0,0,0,0|1,0,1]=4 13149 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,2,0,0,0,0|1,0,1]=4 13150 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [0,2,0,0,0,0|1,0,1]=4 13151 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [0,2,0,0,0,0|1,0,1]=4 13152 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,2,0,0,0,0|1,0,1]=4 13153 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,2,0,0,0,0|1,0,1]=4 13154 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,2,0,0,0,0|0,0,2]=4 13155 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|0,0,2]=4 13156 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,2,0,0,0,0|0,0,2]=4 13157 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,2,0,0,0,0|0,0,2]=4 13158 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|1,0,0]=3 13159 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,2,0,0,0,0|1,0,1]=4 13160 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,2,0,0,0,0|1,0,1]=4 13161 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,2,0,0,0,0|1,0,1]=4 13162 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,2,0,0,0,0|1,0,1]=4 13163 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|1,0,0]=3 13164 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|1,0,0]=3 13165 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|1,0,0]=3 13166 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|1,0,0]=3 13167 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,2,0,0,0,0|2,0,0]=4 13168 B10R0.55 CC(C)OCCNC(=O)CO 240690a_100000701111_100000210174 [0,2,0,0,0,0|2,0,0]=4 13169 B10R0.55 CC(C)OCCNC(=O)CO 527a_100000701111_100000210174 [0,2,0,0,0,0|2,0,0]=4 13170 B10R0.55 CC(C)SCCNC(=O)CO 240690a_100000731138_100000210174 [0,2,0,0,0,0|2,0,0]=4 13171 B10R0.55 CC(C)SCCNC(=O)CO 527a_100000731138_100000210174 [0,2,0,0,0,0|2,0,0]=4 13172 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,2,0,0,0,0|1,0,0]=3 13173 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|0,0,0]=2 13174 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|0,0,0]=2 13175 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|0,0,0]=2 13176 B10R0.55 CCC(=O)CCCN=C(N)N 1458a_100000034108_100000210202 [0,2,0,0,0,0|1,0,1]=4 13177 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|0,0,1]=3 13178 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|0,0,1]=3 13179 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,2,0,0,0,0|0,0,1]=3 13180 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|0,0,1]=3 13181 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,2,0,0,0,0|1,0,1]=4 13182 B10R0.55 CCC(=O)CCOCC(F)F 1458a_100000210414_200012177212 [0,2,0,0,0,0|1,0,0]=3 13183 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,2,0,0,0,0|1,0,1]=4 13184 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,2,0,0,0,0|0,0,2]=4 13185 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,2,0,0,0,0|0,0,1]=3 13186 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,2,0,0,0,0|1,0,1]=4 13187 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,2,0,0,0,0|1,0,1]=4 13188 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|0,0,0]=2 13189 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|0,0,0]=2 13190 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|0,0,0]=2 13191 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,2,0,0,0,0|1,0,1]=4 13192 B10R0.55 CCC(=O)COCOC(C)C 34a_100000725409_100000709892 [0,2,0,0,0,0|1,0,0]=3 13193 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,2,0,0,0,0|0,0,2]=4 13194 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,2,0,0,0,0|0,0,2]=4 13195 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,2,0,0,0,0|0,0,1]=3 13196 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,2,0,0,0,0|0,0,1]=3 13197 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,2,0,0,0,0|1,0,1]=4 13198 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,2,0,0,0,0|1,0,1]=4 13199 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|0,0,0]=2 13200 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|0,0,0]=2 13201 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|0,0,0]=2 13202 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|0,0,0]=2 13203 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,2,0,0,0,0|1,0,0]=3 13204 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,2,0,0,0,0|1,0,1]=4 13205 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,2,0,0,0,0|1,0,1]=4 13206 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [0,2,0,0,0,0|1,0,0]=3 13207 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [0,2,0,0,0,0|1,0,0]=3 13208 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,2,0,0,0,0|1,0,1]=4 13209 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,2,0,0,0,0|1,0,1]=4 13210 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|0,0,0]=2 13211 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|0,0,0]=2 13212 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|0,0,0]=2 13213 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|0,0,0]=2 13214 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,2,0,0,0,0|1,0,0]=3 13215 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,2,0,0,0,0|1,0,0]=3 13216 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,2,0,0,0,0|1,0,0]=3 13217 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,2,0,0,0,0|1,0,0]=3 13218 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,2,0,0,0,0|1,0,0]=3 13219 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,2,0,0,0,0|1,0,1]=4 13220 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,2,0,0,0,0|1,0,1]=4 13221 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,2,0,0,0,0|1,0,1]=4 13222 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,2,0,0,0,0|1,0,1]=4 13223 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,2,0,0,0,0|1,0,1]=4 13224 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,2,0,0,0,0|1,0,1]=4 13225 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [0,2,0,0,0,0|1,0,0]=3 13226 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 13227 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 13228 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 13229 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [0,2,0,0,0,0|1,0,0]=3 13230 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [0,2,0,0,0,0|1,0,0]=3 13231 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [0,2,0,0,0,0|1,0,0]=3 13232 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [0,2,0,0,0,0|1,0,0]=3 13233 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [0,2,0,0,0,0|1,0,0]=3 13234 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [0,2,0,0,0,0|1,0,0]=3 13235 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,2,0,0,0,0|1,0,1]=4 13236 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,2,0,0,0,0|1,0,1]=4 13237 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,2,0,0,0,0|1,0,1]=4 13238 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [0,2,0,0,0,0|1,0,0]=3 13239 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [0,2,0,0,0,0|1,0,0]=3 13240 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [0,2,0,0,0,0|1,0,0]=3 13241 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [0,2,0,0,0,0|1,0,0]=3 13242 B10R0.55 CCC(=O)NN=CCC(C)C 4a_100000183195_100000185833 [0,2,0,0,0,0|1,0,1]=4 13243 B10R0.55 CCC(=O)NNCCN(C)C 22a_100000738145_100000210414 [0,2,0,0,0,0|2,0,0]=4 13244 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,2,0,0,0,0|1,0,0]=3 13245 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,2,0,0,0,0|1,0,1]=4 13246 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,2,0,0,0,0|1,0,1]=4 13247 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,2,0,0,0,0|1,0,1]=4 13248 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,2,0,0,0,0|1,0,1]=4 13249 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,2,0,0,0,0|1,0,1]=4 13250 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,2,0,0,0,0|1,0,1]=4 13251 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,2,0,0,0,0|1,0,1]=4 13252 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,2,0,0,0,0|1,0,1]=4 13253 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,2,0,0,0,0|1,0,1]=4 13254 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,2,0,0,0,0|1,0,1]=4 13255 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,2,0,0,0,0|1,0,1]=4 13256 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,2,0,0,0,0|1,0,1]=4 13257 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,2,0,0,0,0|1,0,1]=4 13258 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,2,0,0,0,0|1,0,1]=4 13259 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,2,0,0,0,0|1,0,1]=4 13260 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,2,0,0,0,0|1,0,1]=4 13261 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,2,0,0,0,0|1,0,1]=4 13262 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,2,0,0,0,0|1,0,1]=4 13263 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,2,0,0,0,0|1,0,1]=4 13264 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,2,0,0,0,0|1,0,1]=4 13265 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,2,0,0,0,0|1,0,1]=4 13266 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,2,0,0,0,0|1,0,1]=4 13267 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,2,0,0,0,0|1,0,1]=4 13268 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,2,0,0,0,0|1,0,1]=4 13269 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,2,0,0,0,0|1,0,1]=4 13270 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,2,0,0,0,0|1,0,1]=4 13271 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,2,0,0,0,0|1,0,1]=4 13272 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,2,0,0,0,0|1,0,1]=4 13273 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,2,0,0,0,0|1,0,1]=4 13274 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,2,0,0,0,0|1,0,1]=4 13275 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,2,0,0,0,0|1,0,1]=4 13276 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,2,0,0,0,0|1,0,1]=4 13277 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,2,0,0,0,0|1,0,1]=4 13278 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,2,0,0,0,0|1,0,1]=4 13279 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,2,0,0,0,0|0,0,2]=4 13280 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,2,0,0,0,0|0,0,2]=4 13281 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,2,0,0,0,0|0,0,2]=4 13282 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,2,0,0,0,0|0,0,2]=4 13283 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,2,0,0,0,0|0,0,2]=4 13284 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,2,0,0,0,0|0,0,2]=4 13285 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,2,0,0,0,0|0,0,2]=4 13286 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,2,0,0,0,0|0,0,2]=4 13287 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,2,0,0,0,0|0,0,2]=4 13288 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,2,0,0,0,0|0,0,2]=4 13289 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,2,0,0,0,0|0,0,2]=4 13290 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,2,0,0,0,0|0,0,2]=4 13291 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|2,0,0]=4 13292 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,2,0,0,0,0|2,0,0]=4 13293 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,2,0,0,0,0|2,0,0]=4 13294 B10R0.55 CCN(C)CCCCN(C)C 269982a_100000225621_100000690147 [0,2,0,0,0,0|2,0,0]=4 13295 B10R0.55 CCN(C)CCCNC(C)C 2230a_100138425928_100015186262 [0,2,0,0,0,0|2,0,0]=4 13296 B10R0.55 CCN(C)CCCSC(C)C 62a_100000210206_100015186262 [0,2,0,0,0,0|2,0,0]=4 13297 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,2,0,0,0,0|1,0,1]=4 13298 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,2,0,0,0,0|1,0,1]=4 13299 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,2,0,0,0,0|1,0,1]=4 13300 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,2,0,0,0,0|1,0,1]=4 13301 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,2,0,0,0,0|1,0,1]=4 13302 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,2,0,0,0,0|1,0,1]=4 13303 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,2,0,0,0,0|1,0,1]=4 13304 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,2,0,0,0,0|1,0,1]=4 13305 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,2,0,0,0,0|1,0,1]=4 13306 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,2,0,0,0,0|1,0,1]=4 13307 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,2,0,0,0,0|1,0,1]=4 13308 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 13309 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 13310 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|1,0,0]=3 13311 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 13312 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 13313 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 13314 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,2,0,0,0,0|1,0,0]=3 13315 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,2,0,0,0,0|1,0,0]=3 13316 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,2,0,0,0,0|1,0,0]=3 13317 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,2,0,0,0,0|1,0,1]=4 13318 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,2,0,0,0,0|1,0,1]=4 13319 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 13320 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,2,0,0,0,0|1,0,1]=4 13321 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 13322 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,2,0,0,0,0|1,0,1]=4 13323 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 13324 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,2,0,0,0,0|1,0,0]=3 13325 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,2,0,0,0,0|1,0,0]=3 13326 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,2,0,0,0,0|1,0,0]=3 13327 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,2,0,0,0,0|1,0,0]=3 13328 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,2,0,0,0,0|1,0,0]=3 13329 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,2,0,0,0,0|1,0,0]=3 13330 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,2,0,0,0,0|1,0,0]=3 13331 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,2,0,0,0,0|1,0,0]=3 13332 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,2,0,0,0,0|1,0,0]=3 13333 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,2,0,0,0,0|1,0,0]=3 13334 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,2,0,0,0,0|1,0,0]=3 13335 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,2,0,0,0,0|1,0,0]=3 13336 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,2,0,0,0,0|1,0,0]=3 13337 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,2,0,0,0,0|1,0,0]=3 13338 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,2,0,0,0,0|1,0,0]=3 13339 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,2,0,0,0,0|1,0,0]=3 13340 B10R0.55 CNC(=O)CCNCC(F)F 2230a_100000738227_100011934356 [0,2,0,0,0,0|2,0,0]=4 13341 B10R0.55 CNC(=O)CCNCC(F)F 34a_100000738227_100011934356 [0,2,0,0,0,0|2,0,0]=4 13342 B10R0.55 CNC(=O)CCNCC(F)F 34a_100000765723_100012179268 [0,2,0,0,0,0|2,0,0]=4 13343 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,2,0,0,0,0|1,0,0]=3 13344 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,2,0,0,0,0|1,0,0]=3 13345 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,2,0,0,0,0|1,0,1]=4 13346 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,2,0,0,0,0|1,0,0]=3 13347 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,2,0,0,0,0|1,0,0]=3 13348 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,2,0,0,0,0|1,0,0]=3 13349 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,2,0,0,0,0|1,0,0]=3 13350 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,2,0,0,0,0|1,0,0]=3 13351 B10R0.55 CNC(=O)CCOCC(F)F 34a_100000743014_100012179268 [0,2,0,0,0,0|2,0,0]=4 13352 B10R0.55 CNC(=O)CCOCC(F)F 34a_100000754576_100011934356 [0,2,0,0,0,0|2,0,0]=4 13353 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,2,0,0,0,0|1,0,0]=3 13354 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,2,0,0,0,0|1,0,0]=3 13355 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,2,0,0,0,0|1,0,0]=3 13356 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,2,0,0,0,0|1,0,0]=3 13357 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,2,0,0,0,0|1,0,0]=3 13358 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,2,0,0,0,0|1,0,0]=3 13359 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,2,0,0,0,0|1,0,0]=3 13360 B10R0.55 CNC(=O)CCSCC(F)F 62a_100000737683_100011934356 [0,2,0,0,0,0|2,0,0]=4 13361 B10R0.55 CNC(=O)CCSCC(F)F 62a_100011934356_100000737683 [0,2,0,0,0,0|2,0,0]=4 13362 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,2,0,0,0,0|1,0,0]=3 13363 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,2,0,0,0,0|1,0,0]=3 13364 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,2,0,0,0,0|1,0,0]=3 13365 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,2,0,0,0,0|1,0,0]=3 13366 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,2,0,0,0,0|1,0,0]=3 13367 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,2,0,0,0,0|1,0,0]=3 13368 B10R0.55 CNC(=O)CNCOC(C)C 2230a_100000693194_100000709892 [0,2,0,0,0,0|2,0,0]=4 13369 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,2,0,0,0,0|1,0,1]=4 13370 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,2,0,0,0,0|1,0,1]=4 13371 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,2,0,0,0,0|1,0,0]=3 13372 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,2,0,0,0,0|1,0,0]=3 13373 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,2,0,0,0,0|1,0,0]=3 13374 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,2,0,0,0,0|1,0,0]=3 13375 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,2,0,0,0,0|1,0,0]=3 13376 B10R0.55 CNC(=O)COCCC(F)F 34a_100103093639_100000183359 [0,2,0,0,0,0|2,0,0]=4 13377 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,2,0,0,0,0|1,0,0]=3 13378 B10R0.55 CNC(=O)COCOC(C)C 34a_100000750040_100000709892 [0,2,0,0,0,0|2,0,0]=4 13379 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,2,0,0,0,0|1,0,1]=4 13380 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,2,0,0,0,0|1,0,1]=4 13381 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,2,0,0,0,0|1,0,0]=3 13382 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,2,0,0,0,0|1,0,0]=3 13383 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,2,0,0,0,0|1,0,0]=3 13384 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,2,0,0,0,0|1,0,0]=3 13385 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,2,0,0,0,0|2,0,0]=4 13386 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000183359_100000709892 [0,2,0,0,0,0|2,0,0]=4 13387 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000709892_100000183359 [0,2,0,0,0,0|2,0,0]=4 13388 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,2,0,0,0,0|1,0,0]=3 13389 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,2,0,0,0,0|1,0,0]=3 13390 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,2,0,0,0,0|1,0,0]=3 13391 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,2,0,0,0,0|1,0,0]=3 13392 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,2,0,0,0,0|1,0,0]=3 13393 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,2,0,0,0,0|1,0,0]=3 13394 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 13395 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 13396 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 13397 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 13398 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,2,0,0,0,0|2,0,0]=4 13399 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [0,2,0,0,0,0|2,0,0]=4 13400 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [0,2,0,0,0,0|2,0,0]=4 13401 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [0,2,0,0,0,0|2,0,0]=4 13402 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [0,2,0,0,0,0|2,0,0]=4 13403 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [0,2,0,0,0,0|2,0,0]=4 13404 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [0,2,0,0,0,0|2,0,0]=4 13405 B10R0.55 CNC(=O)NCCNC(C)C 34a_100015205895_100000210206 [0,2,0,0,0,0|2,0,0]=4 13406 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100000701111_106832991635 [0,2,0,0,0,0|2,0,0]=4 13407 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100102657272_100000701111 [0,2,0,0,0,0|2,0,0]=4 13408 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100000701111_100102657272 [0,2,0,0,0,0|2,0,0]=4 13409 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100102657272_100000701111 [0,2,0,0,0,0|2,0,0]=4 13410 B10R0.55 CNC(=O)NCCOC(C)C 512a_100000701111_100102657272 [0,2,0,0,0,0|2,0,0]=4 13411 B10R0.55 CNC(=O)NCCOC(C)C 512a_106832991638_100000701111 [0,2,0,0,0,0|2,0,0]=4 13412 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100000731138_106832991635 [0,2,0,0,0,0|2,0,0]=4 13413 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100102657272_100000731138 [0,2,0,0,0,0|2,0,0]=4 13414 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100000731138_100102657272 [0,2,0,0,0,0|2,0,0]=4 13415 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100102657272_100000731138 [0,2,0,0,0,0|2,0,0]=4 13416 B10R0.55 CNC(=O)NCCSC(C)C 512a_100000731138_100102657272 [0,2,0,0,0,0|2,0,0]=4 13417 B10R0.55 CNC(=O)NCCSC(C)C 512a_106832991638_100000731138 [0,2,0,0,0,0|2,0,0]=4 13418 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [0,2,0,0,0,0|2,0,0]=4 13419 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [0,2,0,0,0,0|2,0,0]=4 13420 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,2,0,0,0,0|2,0,0]=4 13421 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,2,0,0,0,0|2,0,0]=4 13422 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|1,0,0]=3 13423 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|1,0,0]=3 13424 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|1,0,0]=3 13425 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|1,0,0]=3 13426 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|1,0,0]=3 13427 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,2,0,0,0,0|1,0,1]=4 13428 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,2,0,0,0,0|1,0,0]=3 13429 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,2,0,0,0,0|1,0,0]=3 13430 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,2,0,0,0,0|1,0,0]=3 13431 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,2,0,0,0,0|1,0,0]=3 13432 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,2,0,0,0,0|1,0,0]=3 13433 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,2,0,0,0,0|1,0,0]=3 13434 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,2,0,0,0,0|1,0,0]=3 13435 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|1,0,0]=3 13436 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,0]=3 13437 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,2,0,0,0,0|2,0,0]=4 13438 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,2,0,0,0,0|1,0,1]=4 13439 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,2,0,0,0,0|1,0,0]=3 13440 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,2,0,0,0,0|1,0,0]=3 13441 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,2,0,0,0,0|1,0,0]=3 13442 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,2,0,0,0,0|2,0,0]=4 13443 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,2,0,0,0,0|1,0,0]=3 13444 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,2,0,0,0,0|1,0,0]=3 13445 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,2,0,0,0,0|1,0,0]=3 13446 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,2,0,0,0,0|1,0,0]=3 13447 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|1,0,0]=3 13448 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|1,0,0]=3 13449 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,2,0,0,0,0|2,0,0]=4 13450 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,2,0,0,0,0|2,0,0]=4 13451 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|1,0,0]=3 13452 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|1,0,0]=3 13453 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|1,0,0]=3 13454 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,2,0,0,0,0|1,0,1]=4 13455 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 13456 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 13457 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|1,0,0]=3 13458 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|1,0,0]=3 13459 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|1,0,0]=3 13460 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,2,0,0,0,0|2,0,0]=4 13461 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,2,0,0,0,0|2,0,0]=4 13462 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,0]=3 13463 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,2,0,0,0,0|1,0,1]=4 13464 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,2,0,0,0,0|1,0,1]=4 13465 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|1,0,0]=3 13466 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|1,0,0]=3 13467 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|1,0,0]=3 13468 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|1,0,0]=3 13469 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,2,0,0,0,0|2,0,0]=4 13470 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,2,0,0,0,0|2,0,0]=4 13471 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,2,0,0,0,0|2,0,0]=4 13472 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,2,0,0,0,0|1,0,1]=4 13473 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,2,0,0,0,0|1,0,1]=4 13474 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,2,0,0,0,0|2,0,0]=4 13475 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,2,0,0,0,0|2,0,0]=4 13476 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,2,0,0,0,0|2,0,0]=4 13477 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,2,0,0,0,0|2,0,0]=4 13478 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,2,0,0,0,0|2,0,0]=4 13479 B10R0.55 CS(=O)CCCNC(=O)CO 240690a_200000753449_100000210174 [0,2,0,0,0,0|2,0,0]=4 13480 B10R0.55 CS(=O)CCCNC(=O)CO 527a_200000753449_100000210174 [0,2,0,0,0,0|2,0,0]=4 13481 B10R0.55 O=C(CO)CCCCB(O)O 1458a_100000210174_200009817182 [0,2,0,0,0,0|2,0,0]=4 13482 B10R0.55 O=C(CO)CCOCC(F)F 1458a_100000210174_200012177212 [0,2,0,0,0,0|2,0,0]=4 13483 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,2,0,0,0,0|0,0,2]=4 13484 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,2,0,0,0,0|0,0,2]=4 13485 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|0,0,2]=4 13486 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,2,0,0,0,0|0,0,2]=4 13487 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|0,0,2]=4 13488 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,2,0,0,0,0|0,0,2]=4 13489 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,2,0,0,0,0|0,0,2]=4 13490 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,2,0,0,0,0|0,0,2]=4 13491 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,2,0,0,0,0|0,0,2]=4 13492 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|0,0,0]=2 13493 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|0,0,0]=2 13494 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,2,0,0,0,0|1,0,0]=3 13495 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|1,0,0]=3 13496 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,2,0,0,0,0|1,0,0]=3 13497 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,2,0,0,0,0|1,0,0]=3 13498 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,2,0,0,0,0|1,0,0]=3 13499 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,2,0,0,0,0|1,0,0]=3 13500 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,2,0,0,0,0|2,0,0]=4 13501 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,2,0,0,0,0|2,0,0]=4 13502 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,2,0,0,0,0|0,0,1]=3 13503 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,2,0,0,0,0|0,0,1]=3 13504 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,2,0,0,0,0|0,0,1]=3 13505 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,2,0,0,0,0|0,0,1]=3 13506 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,2,0,0,0,0|1,0,1]=4 13507 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,2,0,0,0,0|1,0,1]=4 13508 B10R0.74 C#CCCCCNC(=O)NC 2708a_100000706060_106832991635 [0,2,0,0,0,0|1,0,1]=4 13509 B10R0.74 C#CCCCCNC(=O)NC 2708a_100102657272_100000706060 [0,2,0,0,0,0|1,0,1]=4 13510 B10R0.74 C#CCCCCNC(=O)NC 273464a_100000706060_100102657272 [0,2,0,0,0,0|1,0,1]=4 13511 B10R0.74 C#CCCCCNC(=O)NC 273464a_100102657272_100000706060 [0,2,0,0,0,0|1,0,1]=4 13512 B10R0.74 C#CCCCCNC(=O)NC 512a_100000706060_100102657272 [0,2,0,0,0,0|1,0,1]=4 13513 B10R0.74 C#CCCCCNC(=O)NC 512a_106832991638_100000706060 [0,2,0,0,0,0|1,0,1]=4 13514 B10R0.74 C#CCCCNCC(=O)NC 2230a_100000693194_100000731252 [0,2,0,0,0,0|1,0,1]=4 13515 B10R0.74 C#CCCCNCC(=O)NC 34a_100000718082_100000183359 [0,2,0,0,0,0|1,0,1]=4 13516 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,2,0,0,0,0|1,0,1]=4 13517 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,2,0,0,0,0|0,0,1]=3 13518 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,2,0,0,0,0|0,0,1]=3 13519 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,2,0,0,0,0|1,0,1]=4 13520 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,2,0,0,0,0|1,0,1]=4 13521 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,2,0,0,0,0|1,0,1]=4 13522 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 13523 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 13524 B10R0.74 C#CCCCSCC(=O)CC 62a_100000747405_100011215417 [0,2,0,0,0,0|0,0,1]=3 13525 B10R0.74 C#CCCCSCC(=O)CC 62a_100011215417_100000747405 [0,2,0,0,0,0|0,0,1]=3 13526 B10R0.74 C#CCCCSCC(=O)NC 62a_100000183359_100011215417 [0,2,0,0,0,0|1,0,1]=4 13527 B10R0.74 C#CCCCSCC(=O)NC 62a_100011215417_100000183359 [0,2,0,0,0,0|1,0,1]=4 13528 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,2,0,0,0,0|1,0,1]=4 13529 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,2,0,0,0,0|1,0,1]=4 13530 B10R0.74 C#CCCNCCC(=O)NC 2230a_100000738227_100000688953 [0,2,0,0,0,0|1,0,1]=4 13531 B10R0.74 C#CCCNCCC(=O)NC 34a_100000738227_100000688953 [0,2,0,0,0,0|1,0,1]=4 13532 B10R0.74 C#CCCNCCC(=O)NC 34a_100000755551_100012179268 [0,2,0,0,0,0|1,0,1]=4 13533 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,2,0,0,0,0|1,0,1]=4 13534 B10R0.74 C#CCCOCCC(=O)NC 34a_100000754576_100000688953 [0,2,0,0,0,0|1,0,1]=4 13535 B10R0.74 C#CCCOCCC(=O)NC 34a_100011215631_100012179268 [0,2,0,0,0,0|1,0,1]=4 13536 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,2,0,0,0,0|1,0,1]=4 13537 B10R0.74 C#CCCSCCC(=O)NC 62a_100000688953_100000737683 [0,2,0,0,0,0|1,0,1]=4 13538 B10R0.74 C#CCCSCCC(=O)NC 62a_100000737683_100000688953 [0,2,0,0,0,0|1,0,1]=4 13539 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,2,0,0,0,0|1,0,1]=4 13540 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,2,0,0,0,0|1,0,1]=4 13541 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,2,0,0,0,0|1,0,1]=4 13542 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,2,0,0,0,0|1,0,1]=4 13543 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,2,0,0,0,0|1,0,1]=4 13544 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,2,0,0,0,0|1,0,1]=4 13545 B10R0.74 C#CCNCCNC(=O)CC 34a_100132302217_100000184674 [0,2,0,0,0,0|0,0,2]=4 13546 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,2,0,0,0,0|1,0,1]=4 13547 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,2,0,0,0,0|1,0,1]=4 13548 B10R0.74 C#CCOCCNC(=O)CC 11a_100000700922_100000210414 [0,2,0,0,0,0|0,0,2]=4 13549 B10R0.74 C#CCOCCNC(=O)CC 1626a_100000700922_100000210414 [0,2,0,0,0,0|0,0,2]=4 13550 B10R0.74 C#CCOCCNC(=O)CC 240690a_100000700922_100000210414 [0,2,0,0,0,0|0,0,2]=4 13551 B10R0.74 C#CCOCCNC(=O)CC 34a_200000158885_100000184674 [0,2,0,0,0,0|0,0,2]=4 13552 B10R0.74 C#CCOCCNC(=O)CC 527a_100000700922_100000210414 [0,2,0,0,0,0|0,0,2]=4 13553 B10R0.74 C#CCOCCNC(=O)CC 7a_200000158885_100000038162 [0,2,0,0,0,0|0,0,2]=4 13554 B10R0.74 C#CCOCCOC(=O)CC 7a_200000031056_100000038162 [0,2,0,0,0,0|0,0,2]=4 13555 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,2,0,0,0,0|1,0,1]=4 13556 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,2,0,0,0,0|1,0,1]=4 13557 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,2,0,0,0,0|1,0,1]=4 13558 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|1,0,1]=4 13559 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,2,0,0,0,0|1,0,1]=4 13560 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,2,0,0,0,0|1,0,1]=4 13561 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,2,0,0,0,0|1,0,1]=4 13562 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,2,0,0,0,0|1,0,1]=4 13563 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,2,0,0,0,0|1,0,1]=4 13564 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,2,0,0,0,0|1,0,1]=4 13565 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,2,0,0,0,0|1,0,1]=4 13566 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,2,0,0,0,0|1,0,1]=4 13567 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,2,0,0,0,0|0,0,2]=4 13568 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|0,0,2]=4 13569 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|0,0,2]=4 13570 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|0,0,2]=4 13571 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|0,0,2]=4 13572 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,2,0,0,0,0|0,0,2]=4 13573 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|0,0,2]=4 13574 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|0,0,2]=4 13575 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|0,0,2]=4 13576 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,2,0,0,0,0|0,0,2]=4 13577 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,2,0,0,0,0|0,0,2]=4 13578 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,2,0,0,0,0|0,0,2]=4 13579 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,2,0,0,0,0|0,0,2]=4 13580 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,2,0,0,0,0|0,0,2]=4 13581 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,2,0,0,0,0|0,0,2]=4 13582 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,2,0,0,0,0|0,0,2]=4 13583 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,2,0,0,0,0|0,0,2]=4 13584 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,2,0,0,0,0|0,0,2]=4 13585 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,2,0,0,0,0|0,0,2]=4 13586 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|0,0,2]=4 13587 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|0,0,2]=4 13588 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|0,0,2]=4 13589 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|0,0,2]=4 13590 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|0,0,0]=2 13591 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|0,0,0]=2 13592 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,2,0,0,0,0|1,0,0]=3 13593 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|1,0,0]=3 13594 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|1,0,0]=3 13595 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 13596 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 13597 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 13598 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,2,0,0,0,0|2,0,0]=4 13599 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,2,0,0,0,0|2,0,0]=4 13600 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,2,0,0,0,0|0,0,1]=3 13601 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,2,0,0,0,0|0,0,1]=3 13602 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,2,0,0,0,0|0,0,1]=3 13603 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,2,0,0,0,0|0,0,1]=3 13604 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,2,0,0,0,0|1,0,1]=4 13605 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,2,0,0,0,0|1,0,1]=4 13606 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,2,0,0,0,0|1,0,1]=4 13607 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,2,0,0,0,0|1,0,1]=4 13608 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,2,0,0,0,0|1,0,1]=4 13609 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,2,0,0,0,0|1,0,1]=4 13610 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,2,0,0,0,0|1,0,1]=4 13611 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,2,0,0,0,0|1,0,1]=4 13612 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,2,0,0,0,0|1,0,1]=4 13613 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,2,0,0,0,0|1,0,1]=4 13614 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,2,0,0,0,0|1,0,1]=4 13615 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,2,0,0,0,0|1,0,1]=4 13616 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,2,0,0,0,0|1,0,1]=4 13617 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,2,0,0,0,0|0,0,1]=3 13618 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,2,0,0,0,0|0,0,1]=3 13619 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,2,0,0,0,0|1,0,1]=4 13620 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,2,0,0,0,0|1,0,1]=4 13621 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,2,0,0,0,0|1,0,1]=4 13622 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 13623 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 13624 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,2,0,0,0,0|0,0,1]=3 13625 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,2,0,0,0,0|0,0,1]=3 13626 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,2,0,0,0,0|1,0,1]=4 13627 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,2,0,0,0,0|1,0,1]=4 13628 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,2,0,0,0,0|1,0,1]=4 13629 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,2,0,0,0,0|1,0,1]=4 13630 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,2,0,0,0,0|1,0,1]=4 13631 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,2,0,0,0,0|1,0,1]=4 13632 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,2,0,0,0,0|1,0,1]=4 13633 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,2,0,0,0,0|1,0,1]=4 13634 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,2,0,0,0,0|1,0,1]=4 13635 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,2,0,0,0,0|1,0,1]=4 13636 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,2,0,0,0,0|1,0,1]=4 13637 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,2,0,0,0,0|1,0,1]=4 13638 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,2,0,0,0,0|1,0,1]=4 13639 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,2,0,0,0,0|1,0,1]=4 13640 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,2,0,0,0,0|1,0,1]=4 13641 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,2,0,0,0,0|1,0,1]=4 13642 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,2,0,0,0,0|1,0,1]=4 13643 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,2,0,0,0,0|1,0,1]=4 13644 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,2,0,0,0,0|1,0,1]=4 13645 B10R0.74 C=CCNCCNC(=O)CC 34a_100132302217_100015514636 [0,2,0,0,0,0|0,0,2]=4 13646 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,2,0,0,0,0|1,0,1]=4 13647 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,2,0,0,0,0|1,0,1]=4 13648 B10R0.74 C=CCOCCNC(=O)CC 34a_200000158885_100015514636 [0,2,0,0,0,0|0,0,2]=4 13649 B10R0.74 C=CCOCCNC(=O)CC 7a_200000158885_100015514636 [0,2,0,0,0,0|0,0,2]=4 13650 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,2,0,0,0,0|0,0,2]=4 13651 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,2,0,0,0,0|1,0,1]=4 13652 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,2,0,0,0,0|1,0,1]=4 13653 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,2,0,0,0,0|1,0,1]=4 13654 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,2,0,0,0,0|1,0,1]=4 13655 B10R0.74 C=COCCCNC(=O)CC 11a_100000210767_100000210414 [0,2,0,0,0,0|0,0,2]=4 13656 B10R0.74 C=COCCCNC(=O)CC 1626a_100000210767_100000210414 [0,2,0,0,0,0|0,0,2]=4 13657 B10R0.74 C=COCCCNC(=O)CC 240690a_100000210767_100000210414 [0,2,0,0,0,0|0,0,2]=4 13658 B10R0.74 C=COCCCNC(=O)CC 527a_100000210767_100000210414 [0,2,0,0,0,0|0,0,2]=4 13659 B10R0.74 C=COCCOCC(=O)CC 34a_100000725409_100000039644 [0,2,0,0,0,0|0,0,2]=4 13660 B10R0.74 C=COCCSCC(=O)CC 62a_100000039644_100000747405 [0,2,0,0,0,0|0,0,2]=4 13661 B10R0.74 C=COCCSCC(=O)CC 62a_100000747405_100000039644 [0,2,0,0,0,0|0,0,2]=4 13662 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,2,0,0,0,0|1,0,1]=4 13663 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,2,0,0,0,0|1,0,1]=4 13664 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000685387_100000737683 [0,2,0,0,0,0|1,0,1]=4 13665 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000738227_100000748600 [0,2,0,0,0,0|1,0,1]=4 13666 B10R0.74 CC#CCNCCC(=O)NC 34a_100000685387_100012179268 [0,2,0,0,0,0|1,0,1]=4 13667 B10R0.74 CC#CCNCCC(=O)NC 34a_100000738227_100000748600 [0,2,0,0,0,0|1,0,1]=4 13668 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,2,0,0,0,0|1,0,1]=4 13669 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,2,0,0,0,0|1,0,1]=4 13670 B10R0.74 CC#CCOCCC(=O)NC 34a_100000754576_100000748600 [0,2,0,0,0,0|1,0,1]=4 13671 B10R0.74 CC#CCOCCC(=O)NC 34a_100000761923_100012179268 [0,2,0,0,0,0|1,0,1]=4 13672 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,2,0,0,0,0|1,0,1]=4 13673 B10R0.74 CC#CCSCCC(=O)NC 62a_100000737683_100000748600 [0,2,0,0,0,0|1,0,1]=4 13674 B10R0.74 CC#CCSCCC(=O)NC 62a_100000748600_100000737683 [0,2,0,0,0,0|1,0,1]=4 13675 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,2,0,0,0,0|1,0,1]=4 13676 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,2,0,0,0,0|1,0,1]=4 13677 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [0,2,0,0,0,0|1,0,1]=4 13678 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,2,0,0,0,0|0,0,1]=3 13679 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [0,2,0,0,0,0|1,0,1]=4 13680 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [0,2,0,0,0,0|1,0,1]=4 13681 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,2,0,0,0,0|1,0,1]=4 13682 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,2,0,0,0,0|0,0,1]=3 13683 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,2,0,0,0,0|0,0,1]=3 13684 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [0,2,0,0,0,0|1,0,1]=4 13685 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [0,2,0,0,0,0|1,0,1]=4 13686 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,2,0,0,0,0|1,0,1]=4 13687 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,2,0,0,0,0|1,0,1]=4 13688 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,2,0,0,0,0|1,0,1]=4 13689 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,2,0,0,0,0|1,0,1]=4 13690 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,2,0,0,0,0|1,0,1]=4 13691 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,2,0,0,0,0|1,0,1]=4 13692 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,2,0,0,0,0|1,0,1]=4 13693 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,2,0,0,0,0|1,0,1]=4 13694 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,2,0,0,0,0|1,0,1]=4 13695 B10R0.74 CCC#CCNCC(=O)NC 2230a_100000693194_100009813939 [0,2,0,0,0,0|1,0,1]=4 13696 B10R0.74 CCC#CCOCC(=O)CC 34a_100000725409_100009813939 [0,2,0,0,0,0|0,0,1]=3 13697 B10R0.74 CCC#CCOCC(=O)NC 34a_100000032950_100000183359 [0,2,0,0,0,0|1,0,1]=4 13698 B10R0.74 CCC#CCOCC(=O)NC 34a_100000750040_100009813939 [0,2,0,0,0,0|1,0,1]=4 13699 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,2,0,0,0,0|1,0,1]=4 13700 B10R0.74 CCC#CCSCC(=O)CC 62a_100000747405_100009813939 [0,2,0,0,0,0|0,0,1]=3 13701 B10R0.74 CCC#CCSCC(=O)CC 62a_100009813939_100000747405 [0,2,0,0,0,0|0,0,1]=3 13702 B10R0.74 CCC#CCSCC(=O)NC 62a_100000183359_100009813939 [0,2,0,0,0,0|1,0,1]=4 13703 B10R0.74 CCC#CCSCC(=O)NC 62a_100009813939_100000183359 [0,2,0,0,0,0|1,0,1]=4 13704 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,2,0,0,0,0|1,0,1]=4 13705 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,2,0,0,0,0|1,0,1]=4 13706 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|0,0,0]=2 13707 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|0,0,0]=2 13708 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|0,0,0]=2 13709 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|0,0,0]=2 13710 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|0,0,0]=2 13711 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [0,2,0,0,0,0|1,0,0]=3 13712 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|0,0,0]=2 13713 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|0,0,0]=2 13714 B10R0.74 CCC(=O)COCC#CCO 34a_100000725409_200000047223 [0,2,0,0,0,0|0,0,2]=4 13715 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|0,0,0]=2 13716 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|0,0,0]=2 13717 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|0,0,0]=2 13718 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|0,0,0]=2 13719 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|0,0,0]=2 13720 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|0,0,0]=2 13721 B10R0.74 CCC(=O)CSCC#CCO 62a_100000747405_200000047223 [0,2,0,0,0,0|0,0,2]=4 13722 B10R0.74 CCC(=O)CSCC#CCO 62a_200000047223_100000747405 [0,2,0,0,0,0|0,0,2]=4 13723 B10R0.74 CCC(=O)CSCCCC#N 62a_100000687738_100000747405 [0,2,0,0,0,0|0,0,1]=3 13724 B10R0.74 CCC(=O)CSCCCC#N 62a_100000747405_100000687738 [0,2,0,0,0,0|0,0,1]=3 13725 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,2,0,0,0,0|0,0,1]=3 13726 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,2,0,0,0,0|0,0,1]=3 13727 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|0,0,0]=2 13728 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|0,0,0]=2 13729 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|0,0,0]=2 13730 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|0,0,0]=2 13731 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|0,0,0]=2 13732 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|0,0,0]=2 13733 B10R0.74 CCC(=O)CSCCSC#N 62a_100000034367_100000747405 [0,2,0,0,0,0|1,0,1]=4 13734 B10R0.74 CCC(=O)CSCCSC#N 62a_100000747405_100000034367 [0,2,0,0,0,0|1,0,1]=4 13735 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,2,0,0,0,0|0,0,1]=3 13736 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,2,0,0,0,0|0,0,1]=3 13737 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,2,0,0,0,0|0,0,1]=3 13738 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,2,0,0,0,0|0,0,1]=3 13739 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|0,0,0]=2 13740 B10R0.74 CCC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000210414 [0,2,0,0,0,0|2,0,0]=4 13741 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,2,0,0,0,0|1,0,1]=4 13742 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [0,2,0,0,0,0|1,0,0]=3 13743 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,2,0,0,0,0|1,0,0]=3 13744 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,2,0,0,0,0|1,0,0]=3 13745 B10R0.74 CCC(=O)NCCOCC#N 7a_200000158885_100011215382 [0,2,0,0,0,0|1,0,1]=4 13746 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,2,0,0,0,0|1,0,1]=4 13747 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,2,0,0,0,0|1,0,1]=4 13748 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,2,0,0,0,0|1,0,0]=3 13749 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,2,0,0,0,0|1,0,0]=3 13750 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,2,0,0,0,0|1,0,0]=3 13751 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,2,0,0,0,0|1,0,0]=3 13752 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,2,0,0,0,0|1,0,0]=3 13753 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,2,0,0,0,0|1,0,0]=3 13754 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,2,0,0,0,0|1,0,0]=3 13755 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,2,0,0,0,0|1,0,0]=3 13756 B10R0.74 CCC(=O)NN=CCCSC 4a_100000183195_100000210997 [0,2,0,0,0,0|1,0,1]=4 13757 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,2,0,0,0,0|1,0,0]=3 13758 B10R0.74 CCC(=O)OCCOCC#N 7a_200000031056_100011215382 [0,2,0,0,0,0|1,0,1]=4 13759 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,2,0,0,0,0|1,0,1]=4 13760 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,2,0,0,0,0|1,0,0]=3 13761 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,2,0,0,0,0|1,0,0]=3 13762 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,2,0,0,0,0|1,0,1]=4 13763 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,2,0,0,0,0|1,0,1]=4 13764 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,2,0,0,0,0|1,0,1]=4 13765 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,2,0,0,0,0|1,0,1]=4 13766 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,2,0,0,0,0|1,0,1]=4 13767 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,2,0,0,0,0|1,0,1]=4 13768 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,2,0,0,0,0|1,0,1]=4 13769 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,2,0,0,0,0|1,0,1]=4 13770 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,2,0,0,0,0|1,0,1]=4 13771 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,2,0,0,0,0|1,0,1]=4 13772 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,2,0,0,0,0|1,0,1]=4 13773 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,2,0,0,0,0|1,0,1]=4 13774 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,2,0,0,0,0|1,0,1]=4 13775 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,2,0,0,0,0|1,0,1]=4 13776 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,2,0,0,0,0|1,0,1]=4 13777 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,2,0,0,0,0|1,0,1]=4 13778 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,2,0,0,0,0|1,0,1]=4 13779 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,2,0,0,0,0|1,0,1]=4 13780 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,2,0,0,0,0|1,0,1]=4 13781 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,2,0,0,0,0|1,0,1]=4 13782 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,2,0,0,0,0|1,0,1]=4 13783 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,2,0,0,0,0|1,0,1]=4 13784 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,2,0,0,0,0|1,0,1]=4 13785 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,2,0,0,0,0|1,0,1]=4 13786 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,2,0,0,0,0|1,0,1]=4 13787 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,2,0,0,0,0|1,0,1]=4 13788 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,2,0,0,0,0|1,0,1]=4 13789 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,2,0,0,0,0|1,0,1]=4 13790 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,2,0,0,0,0|1,0,1]=4 13791 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,2,0,0,0,0|1,0,1]=4 13792 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,2,0,0,0,0|1,0,1]=4 13793 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,2,0,0,0,0|1,0,1]=4 13794 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,2,0,0,0,0|1,0,1]=4 13795 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,2,0,0,0,0|1,0,1]=4 13796 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,2,0,0,0,0|1,0,1]=4 13797 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,2,0,0,0,0|1,0,1]=4 13798 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,2,0,0,0,0|1,0,1]=4 13799 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,2,0,0,0,0|1,0,1]=4 13800 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,2,0,0,0,0|1,0,1]=4 13801 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,2,0,0,0,0|1,0,1]=4 13802 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,2,0,0,0,0|1,0,1]=4 13803 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,2,0,0,0,0|1,0,1]=4 13804 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,2,0,0,0,0|1,0,1]=4 13805 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,2,0,0,0,0|1,0,1]=4 13806 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,2,0,0,0,0|1,0,1]=4 13807 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,2,0,0,0,0|1,0,1]=4 13808 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,2,0,0,0,0|1,0,1]=4 13809 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,2,0,0,0,0|1,0,1]=4 13810 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,2,0,0,0,0|1,0,1]=4 13811 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,2,0,0,0,0|1,0,1]=4 13812 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,2,0,0,0,0|1,0,1]=4 13813 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,2,0,0,0,0|1,0,1]=4 13814 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,2,0,0,0,0|1,0,1]=4 13815 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,2,0,0,0,0|1,0,1]=4 13816 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,2,0,0,0,0|1,0,1]=4 13817 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,2,0,0,0,0|1,0,1]=4 13818 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,2,0,0,0,0|1,0,1]=4 13819 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,2,0,0,0,0|1,0,1]=4 13820 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,2,0,0,0,0|1,0,1]=4 13821 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,2,0,0,0,0|1,0,1]=4 13822 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,2,0,0,0,0|1,0,1]=4 13823 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,2,0,0,0,0|1,0,1]=4 13824 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,2,0,0,0,0|1,0,1]=4 13825 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,2,0,0,0,0|0,0,2]=4 13826 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 13827 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,2,0,0,0,0|0,0,2]=4 13828 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 13829 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,2,0,0,0,0|0,0,2]=4 13830 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,2,0,0,0,0|0,0,2]=4 13831 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,2,0,0,0,0|0,0,2]=4 13832 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,2,0,0,0,0|0,0,2]=4 13833 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,2,0,0,0,0|0,0,2]=4 13834 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,2,0,0,0,0|0,0,2]=4 13835 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,2,0,0,0,0|0,0,2]=4 13836 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,2,0,0,0,0|0,0,2]=4 13837 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,2,0,0,0,0|0,0,2]=4 13838 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 13839 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,2,0,0,0,0|0,0,2]=4 13840 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,2,0,0,0,0|0,0,2]=4 13841 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,2,0,0,0,0|0,0,2]=4 13842 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,2,0,0,0,0|0,0,2]=4 13843 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,2,0,0,0,0|0,0,2]=4 13844 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,2,0,0,0,0|0,0,2]=4 13845 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,2,0,0,0,0|0,0,2]=4 13846 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,2,0,0,0,0|0,0,2]=4 13847 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,2,0,0,0,0|0,0,2]=4 13848 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,2,0,0,0,0|0,0,2]=4 13849 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,2,0,0,0,0|0,0,2]=4 13850 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|0,0,0]=2 13851 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|1,0,0]=3 13852 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|1,0,0]=3 13853 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 13854 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 13855 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 13856 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,2,0,0,0,0|0,0,1]=3 13857 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|0,0,0]=2 13858 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|1,0,0]=3 13859 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|1,0,0]=3 13860 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|0,0,0]=2 13861 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|1,0,0]=3 13862 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|1,0,0]=3 13863 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|1,0,0]=3 13864 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|1,0,0]=3 13865 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|0,0,0]=2 13866 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|0,0,0]=2 13867 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|1,0,0]=3 13868 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|1,0,0]=3 13869 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|1,0,0]=3 13870 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 13871 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 13872 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 13873 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,2,0,0,0,0|2,0,0]=4 13874 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,2,0,0,0,0|2,0,0]=4 13875 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,2,0,0,0,0|2,0,0]=4 13876 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,2,0,0,0,0|2,0,0]=4 13877 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,2,0,0,0,0|2,0,0]=4 13878 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,2,0,0,0,0|2,0,0]=4 13879 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,2,0,0,0,0|2,0,0]=4 13880 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,2,0,0,0,0|2,0,0]=4 13881 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|0,0,0]=2 13882 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|0,0,0]=2 13883 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|0,0,0]=2 13884 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|0,0,0]=2 13885 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|1,0,0]=3 13886 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|1,0,0]=3 13887 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|1,0,0]=3 13888 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 13889 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 13890 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 13891 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 13892 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|1,0,0]=3 13893 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,2,0,0,0,0|1,0,1]=4 13894 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,2,0,0,0,0|1,0,1]=4 13895 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,2,0,0,0,0|1,0,1]=4 13896 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,2,0,0,0,0|1,0,1]=4 13897 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,2,0,0,0,0|1,0,1]=4 13898 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,2,0,0,0,0|1,0,1]=4 13899 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,2,0,0,0,0|1,0,1]=4 13900 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|1,0,0]=3 13901 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|1,0,0]=3 13902 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|1,0,0]=3 13903 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,2,0,0,0,0|1,0,1]=4 13904 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,2,0,0,0,0|1,0,1]=4 13905 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,2,0,0,0,0|1,0,1]=4 13906 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|0,0,2]=4 13907 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|0,0,2]=4 13908 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,2,0,0,0,0|1,0,1]=4 13909 B10R0.74 CCCCCNN=C(C)CF 4a_100000694160_100000039719 [0,2,0,0,0,0|2,0,0]=4 13910 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,2,0,0,0,0|2,0,0]=4 13911 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|0,0,0]=2 13912 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|1,0,0]=3 13913 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|1,0,0]=3 13914 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|1,0,0]=3 13915 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|1,0,0]=3 13916 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|0,0,0]=2 13917 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|0,0,0]=2 13918 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 13919 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|1,0,0]=3 13920 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 13921 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 13922 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 13923 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,2,0,0,0,0|1,0,1]=4 13924 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,2,0,0,0,0|1,0,1]=4 13925 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|0,0,2]=4 13926 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|0,0,2]=4 13927 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,2,0,0,0,0|1,0,1]=4 13928 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,2,0,0,0,0|1,0,1]=4 13929 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,2,0,0,0,0|1,0,1]=4 13930 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|0,0,0]=2 13931 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|0,0,0]=2 13932 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|1,0,0]=3 13933 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|1,0,0]=3 13934 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|1,0,0]=3 13935 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|1,0,0]=3 13936 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,2,0,0,0,0|1,0,1]=4 13937 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,2,0,0,0,0|1,0,1]=4 13938 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|0,0,2]=4 13939 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|0,0,2]=4 13940 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,2,0,0,0,0|1,0,1]=4 13941 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,2,0,0,0,0|1,0,1]=4 13942 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|1,0,0]=3 13943 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|1,0,0]=3 13944 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|1,0,0]=3 13945 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|1,0,0]=3 13946 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|1,0,0]=3 13947 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|1,0,0]=3 13948 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,2,0,0,0,0|1,0,1]=4 13949 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,2,0,0,0,0|1,0,1]=4 13950 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|0,0,0]=2 13951 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|1,0,0]=3 13952 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|1,0,0]=3 13953 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|1,0,0]=3 13954 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|1,0,0]=3 13955 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|1,0,0]=3 13956 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|1,0,0]=3 13957 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,2,0,0,0,0|1,0,1]=4 13958 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 13959 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 13960 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,2,0,0,0,0|1,0,1]=4 13961 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,2,0,0,0,0|1,0,1]=4 13962 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,2,0,0,0,0|1,0,1]=4 13963 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|1,0,0]=3 13964 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|1,0,0]=3 13965 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|1,0,0]=3 13966 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|1,0,0]=3 13967 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|1,0,0]=3 13968 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|1,0,0]=3 13969 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|1,0,0]=3 13970 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|0,0,0]=2 13971 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|1,0,0]=3 13972 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,2,0,0,0,0|1,0,1]=4 13973 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,2,0,0,0,0|1,0,1]=4 13974 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|1,0,0]=3 13975 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,2,0,0,0,0|2,0,0]=4 13976 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|1,0,0]=3 13977 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,2,0,0,0,0|1,0,1]=4 13978 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|0,0,0]=2 13979 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|0,0,0]=2 13980 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|0,0,0]=2 13981 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|0,0,0]=2 13982 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|0,0,0]=2 13983 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|1,0,0]=3 13984 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|1,0,0]=3 13985 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|1,0,0]=3 13986 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|1,0,0]=3 13987 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|1,0,0]=3 13988 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|1,0,0]=3 13989 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|1,0,0]=3 13990 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|1,0,0]=3 13991 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|1,0,0]=3 13992 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,2,0,0,0,0|1,0,1]=4 13993 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,2,0,0,0,0|1,0,1]=4 13994 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,2,0,0,0,0|1,0,1]=4 13995 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|0,0,0]=2 13996 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|1,0,0]=3 13997 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|1,0,0]=3 13998 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,2,0,0,0,0|1,0,1]=4 13999 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,2,0,0,0,0|1,0,1]=4 14000 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,2,0,0,0,0|1,0,1]=4 14001 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,2,0,0,0,0|1,0,1]=4 14002 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,2,0,0,0,0|1,0,1]=4 14003 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,2,0,0,0,0|1,0,1]=4 14004 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,2,0,0,0,0|1,0,1]=4 14005 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|1,0,0]=3 14006 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|1,0,0]=3 14007 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|1,0,0]=3 14008 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|1,0,0]=3 14009 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,2,0,0,0,0|2,0,0]=4 14010 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|0,0,0]=2 14011 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|0,0,0]=2 14012 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|0,0,0]=2 14013 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|1,0,0]=3 14014 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|1,0,0]=3 14015 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|1,0,0]=3 14016 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|1,0,0]=3 14017 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|1,0,0]=3 14018 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|1,0,0]=3 14019 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|1,0,0]=3 14020 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|1,0,0]=3 14021 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,2,0,0,0,0|1,0,1]=4 14022 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|1,0,0]=3 14023 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|1,0,0]=3 14024 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,2,0,0,0,0|1,0,1]=4 14025 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,2,0,0,0,0|1,0,1]=4 14026 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,2,0,0,0,0|2,0,0]=4 14027 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,2,0,0,0,0|2,0,0]=4 14028 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,2,0,0,0,0|2,0,0]=4 14029 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,2,0,0,0,0|2,0,0]=4 14030 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,2,0,0,0,0|2,0,0]=4 14031 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,2,0,0,0,0|2,0,0]=4 14032 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,2,0,0,0,0|2,0,0]=4 14033 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,2,0,0,0,0|2,0,0]=4 14034 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,2,0,0,0,0|2,0,0]=4 14035 B10R0.74 CCN(C)CCCSCCF 62a_100011217306_100015186262 [0,2,0,0,0,0|2,0,0]=4 14036 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,2,0,0,0,0|2,0,0]=4 14037 B10R0.74 CCN(C)CCCSCOC 62a_100000766300_100015186262 [0,2,0,0,0,0|2,0,0]=4 14038 B10R0.74 CCN(C)CCCSCSC 62a_100011218213_100015186262 [0,2,0,0,0,0|2,0,0]=4 14039 B10R0.74 CCN(C)CCOCCOC 2230a_100000225621_100000695917 [0,2,0,0,0,0|2,0,0]=4 14040 B10R0.74 CCN(C)CCOCCOC 269982a_100000225621_100000695917 [0,2,0,0,0,0|2,0,0]=4 14041 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|1,0,0]=3 14042 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|1,0,0]=3 14043 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,2,0,0,0,0|1,0,1]=4 14044 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|1,0,0]=3 14045 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|1,0,0]=3 14046 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|1,0,0]=3 14047 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|0,0,0]=2 14048 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|0,0,0]=2 14049 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|0,0,0]=2 14050 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|0,0,0]=2 14051 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|1,0,0]=3 14052 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|1,0,0]=3 14053 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|1,0,0]=3 14054 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|1,0,0]=3 14055 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|1,0,0]=3 14056 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|1,0,0]=3 14057 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|1,0,0]=3 14058 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|1,0,0]=3 14059 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,2,0,0,0,0|1,0,1]=4 14060 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,2,0,0,0,0|1,0,1]=4 14061 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,2,0,0,0,0|1,0,1]=4 14062 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,2,0,0,0,0|1,0,1]=4 14063 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,2,0,0,0,0|1,0,1]=4 14064 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,2,0,0,0,0|1,0,1]=4 14065 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,2,0,0,0,0|1,0,1]=4 14066 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,2,0,0,0,0|1,0,1]=4 14067 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,2,0,0,0,0|1,0,0]=3 14068 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,2,0,0,0,0|1,0,0]=3 14069 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,2,0,0,0,0|1,0,0]=3 14070 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|1,0,0]=3 14071 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|1,0,0]=3 14072 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,2,0,0,0,0|1,0,1]=4 14073 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,2,0,0,0,0|1,0,1]=4 14074 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,2,0,0,0,0|1,0,1]=4 14075 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,2,0,0,0,0|1,0,1]=4 14076 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,2,0,0,0,0|0,0,2]=4 14077 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,2,0,0,0,0|0,0,2]=4 14078 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,2,0,0,0,0|0,0,2]=4 14079 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,2,0,0,0,0|1,0,1]=4 14080 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,2,0,0,0,0|1,0,1]=4 14081 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,2,0,0,0,0|1,0,0]=3 14082 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,2,0,0,0,0|2,0,0]=4 14083 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,2,0,0,0,0|2,0,0]=4 14084 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,2,0,0,0,0|2,0,0]=4 14085 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,2,0,0,0,0|2,0,0]=4 14086 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|0,0,0]=2 14087 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|0,0,0]=2 14088 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|1,0,0]=3 14089 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|1,0,0]=3 14090 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|1,0,0]=3 14091 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|1,0,0]=3 14092 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|1,0,0]=3 14093 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|1,0,0]=3 14094 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,2,0,0,0,0|1,0,1]=4 14095 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,2,0,0,0,0|1,0,1]=4 14096 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,2,0,0,0,0|0,0,2]=4 14097 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,2,0,0,0,0|0,0,2]=4 14098 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,2,0,0,0,0|1,0,1]=4 14099 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,2,0,0,0,0|1,0,1]=4 14100 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,2,0,0,0,0|1,0,1]=4 14101 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|0,0,0]=2 14102 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|0,0,0]=2 14103 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,2,0,0,0,0|1,0,0]=3 14104 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,2,0,0,0,0|1,0,0]=3 14105 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|1,0,0]=3 14106 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|1,0,0]=3 14107 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,2,0,0,0,0|1,0,1]=4 14108 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,2,0,0,0,0|1,0,1]=4 14109 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,2,0,0,0,0|0,0,2]=4 14110 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,2,0,0,0,0|0,0,2]=4 14111 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,2,0,0,0,0|1,0,1]=4 14112 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,2,0,0,0,0|1,0,1]=4 14113 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,2,0,0,0,0|1,0,0]=3 14114 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,2,0,0,0,0|1,0,0]=3 14115 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|1,0,0]=3 14116 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|1,0,0]=3 14117 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,2,0,0,0,0|2,0,0]=4 14118 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|1,0,0]=3 14119 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|1,0,0]=3 14120 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,2,0,0,0,0|1,0,1]=4 14121 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,2,0,0,0,0|1,0,1]=4 14122 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|1,0,0]=3 14123 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|1,0,0]=3 14124 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|1,0,0]=3 14125 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,2,0,0,0,0|1,0,1]=4 14126 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,2,0,0,0,0|1,0,1]=4 14127 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,2,0,0,0,0|1,0,1]=4 14128 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,2,0,0,0,0|0,0,2]=4 14129 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,2,0,0,0,0|0,0,2]=4 14130 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,2,0,0,0,0|1,0,1]=4 14131 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|0,0,0]=2 14132 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|0,0,0]=2 14133 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|1,0,0]=3 14134 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|1,0,0]=3 14135 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|1,0,0]=3 14136 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|1,0,0]=3 14137 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|1,0,0]=3 14138 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|1,0,0]=3 14139 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|1,0,0]=3 14140 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,2,0,0,0,0|1,0,1]=4 14141 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,2,0,0,0,0|1,0,1]=4 14142 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,2,0,0,0,0|0,0,2]=4 14143 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,2,0,0,0,0|0,0,2]=4 14144 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,2,0,0,0,0|1,0,1]=4 14145 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,2,0,0,0,0|1,0,1]=4 14146 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,2,0,0,0,0|1,0,1]=4 14147 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|0,0,0]=2 14148 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|0,0,0]=2 14149 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|1,0,0]=3 14150 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|1,0,0]=3 14151 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|1,0,0]=3 14152 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|1,0,0]=3 14153 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,2,0,0,0,0|1,0,1]=4 14154 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,2,0,0,0,0|1,0,1]=4 14155 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,2,0,0,0,0|0,0,2]=4 14156 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,2,0,0,0,0|0,0,2]=4 14157 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,2,0,0,0,0|1,0,1]=4 14158 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,2,0,0,0,0|1,0,1]=4 14159 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,2,0,0,0,0|1,0,1]=4 14160 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,2,0,0,0,0|1,0,1]=4 14161 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,2,0,0,0,0|1,0,1]=4 14162 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,2,0,0,0,0|1,0,1]=4 14163 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,2,0,0,0,0|1,0,1]=4 14164 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,2,0,0,0,0|1,0,1]=4 14165 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,2,0,0,0,0|1,0,1]=4 14166 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,2,0,0,0,0|1,0,1]=4 14167 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,2,0,0,0,0|1,0,1]=4 14168 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,2,0,0,0,0|1,0,1]=4 14169 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,2,0,0,0,0|1,0,1]=4 14170 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,2,0,0,0,0|1,0,1]=4 14171 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,2,0,0,0,0|1,0,1]=4 14172 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,2,0,0,0,0|1,0,1]=4 14173 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,2,0,0,0,0|1,0,1]=4 14174 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,2,0,0,0,0|1,0,1]=4 14175 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,2,0,0,0,0|1,0,1]=4 14176 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,2,0,0,0,0|1,0,1]=4 14177 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,2,0,0,0,0|1,0,1]=4 14178 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,2,0,0,0,0|1,0,1]=4 14179 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,2,0,0,0,0|1,0,1]=4 14180 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,2,0,0,0,0|1,0,1]=4 14181 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,2,0,0,0,0|1,0,1]=4 14182 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,2,0,0,0,0|1,0,1]=4 14183 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|1,0,0]=3 14184 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|1,0,0]=3 14185 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 14186 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 14187 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 14188 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,2,0,0,0,0|2,0,0]=4 14189 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,2,0,0,0,0|2,0,0]=4 14190 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,2,0,0,0,0|2,0,0]=4 14191 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,2,0,0,0,0|1,0,1]=4 14192 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,2,0,0,0,0|1,0,1]=4 14193 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,2,0,0,0,0|1,0,1]=4 14194 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,2,0,0,0,0|1,0,0]=3 14195 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,2,0,0,0,0|1,0,0]=3 14196 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,2,0,0,0,0|1,0,0]=3 14197 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|1,0,0]=3 14198 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|1,0,0]=3 14199 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|1,0,0]=3 14200 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|1,0,0]=3 14201 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,2,0,0,0,0|1,0,0]=3 14202 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 14203 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 14204 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,2,0,0,0,0|1,0,0]=3 14205 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,2,0,0,0,0|1,0,0]=3 14206 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,2,0,0,0,0|1,0,1]=4 14207 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,2,0,0,0,0|1,0,1]=4 14208 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,2,0,0,0,0|1,0,1]=4 14209 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,2,0,0,0,0|1,0,1]=4 14210 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,2,0,0,0,0|1,0,0]=3 14211 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,2,0,0,0,0|1,0,0]=3 14212 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|1,0,0]=3 14213 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|1,0,0]=3 14214 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,2,0,0,0,0|1,0,0]=3 14215 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,2,0,0,0,0|1,0,0]=3 14216 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,2,0,0,0,0|1,0,0]=3 14217 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,2,0,0,0,0|1,0,0]=3 14218 B10R0.74 CNC(=O)CCNCCC#N 2230a_100000738227_100011215226 [0,2,0,0,0,0|1,0,1]=4 14219 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,2,0,0,0,0|1,0,0]=3 14220 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,2,0,0,0,0|1,0,0]=3 14221 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,2,0,0,0,0|1,0,0]=3 14222 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,2,0,0,0,0|1,0,0]=3 14223 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|1,0,0]=3 14224 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|1,0,0]=3 14225 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|1,0,0]=3 14226 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|1,0,0]=3 14227 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|1,0,0]=3 14228 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,2,0,0,0,0|1,0,0]=3 14229 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,2,0,0,0,0|1,0,0]=3 14230 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,2,0,0,0,0|1,0,0]=3 14231 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,2,0,0,0,0|1,0,0]=3 14232 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,2,0,0,0,0|1,0,0]=3 14233 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,2,0,0,0,0|1,0,0]=3 14234 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,2,0,0,0,0|1,0,0]=3 14235 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,2,0,0,0,0|1,0,0]=3 14236 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|1,0,0]=3 14237 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|1,0,0]=3 14238 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 14239 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 14240 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|1,0,0]=3 14241 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|1,0,0]=3 14242 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 14243 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,2,0,0,0,0|2,0,0]=4 14244 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|1,0,0]=3 14245 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|1,0,0]=3 14246 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|1,0,0]=3 14247 B10R0.74 CNC(=O)CCSCCC#N 62a_100000737683_100011215226 [0,2,0,0,0,0|1,0,1]=4 14248 B10R0.74 CNC(=O)CCSCCC#N 62a_100011215226_100000737683 [0,2,0,0,0,0|1,0,1]=4 14249 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,2,0,0,0,0|1,0,0]=3 14250 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,2,0,0,0,0|1,0,0]=3 14251 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|1,0,0]=3 14252 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|1,0,0]=3 14253 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|1,0,0]=3 14254 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|1,0,0]=3 14255 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,2,0,0,0,0|1,0,0]=3 14256 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,2,0,0,0,0|1,0,0]=3 14257 B10R0.74 CNC(=O)CNCCCC#N 2230a_100000693194_100000687738 [0,2,0,0,0,0|1,0,1]=4 14258 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,2,0,0,0,0|1,0,1]=4 14259 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|1,0,0]=3 14260 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|1,0,0]=3 14261 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 14262 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 14263 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|1,0,0]=3 14264 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|1,0,0]=3 14265 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|1,0,0]=3 14266 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|1,0,0]=3 14267 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 14268 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 14269 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|1,0,0]=3 14270 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|1,0,0]=3 14271 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|1,0,0]=3 14272 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|1,0,0]=3 14273 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 14274 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|1,0,0]=3 14275 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|1,0,0]=3 14276 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|1,0,0]=3 14277 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|1,0,0]=3 14278 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|1,0,0]=3 14279 B10R0.74 CNC(=O)CSCCCC#N 62a_100000183359_100000687738 [0,2,0,0,0,0|1,0,1]=4 14280 B10R0.74 CNC(=O)CSCCCC#N 62a_100000687738_100000183359 [0,2,0,0,0,0|1,0,1]=4 14281 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,2,0,0,0,0|1,0,1]=4 14282 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,2,0,0,0,0|1,0,1]=4 14283 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|1,0,0]=3 14284 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|1,0,0]=3 14285 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|1,0,0]=3 14286 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 14287 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|1,0,0]=3 14288 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|1,0,0]=3 14289 B10R0.74 CNC(=O)NCCCCC#N 2708a_100000751965_106832991635 [0,2,0,0,0,0|1,0,1]=4 14290 B10R0.74 CNC(=O)NCCCCC#N 2708a_100102657272_100000751965 [0,2,0,0,0,0|1,0,1]=4 14291 B10R0.74 CNC(=O)NCCCCC#N 273464a_100000751965_100102657272 [0,2,0,0,0,0|1,0,1]=4 14292 B10R0.74 CNC(=O)NCCCCC#N 273464a_100102657272_100000751965 [0,2,0,0,0,0|1,0,1]=4 14293 B10R0.74 CNC(=O)NCCCCC#N 512a_100000751965_100102657272 [0,2,0,0,0,0|1,0,1]=4 14294 B10R0.74 CNC(=O)NCCCCC#N 512a_106832991638_100000751965 [0,2,0,0,0,0|1,0,1]=4 14295 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|1,0,0]=3 14296 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|1,0,0]=3 14297 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|1,0,0]=3 14298 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|1,0,0]=3 14299 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|1,0,0]=3 14300 B10R0.74 CNC(=O)NCCNCCF 34a_100015205895_100011217306 [0,2,0,0,0,0|2,0,0]=4 14301 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,2,0,0,0,0|2,0,0]=4 14302 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,2,0,0,0,0|2,0,0]=4 14303 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,2,0,0,0,0|2,0,0]=4 14304 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,2,0,0,0,0|2,0,0]=4 14305 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,2,0,0,0,0|2,0,0]=4 14306 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,2,0,0,0,0|2,0,0]=4 14307 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,2,0,0,0,0|2,0,0]=4 14308 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,2,0,0,0,0|2,0,0]=4 14309 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,2,0,0,0,0|2,0,0]=4 14310 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,2,0,0,0,0|2,0,0]=4 14311 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,2,0,0,0,0|2,0,0]=4 14312 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,2,0,0,0,0|2,0,0]=4 14313 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,2,0,0,0,0|2,0,0]=4 14314 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,2,0,0,0,0|2,0,0]=4 14315 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,2,0,0,0,0|2,0,0]=4 14316 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 14317 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,2,0,0,0,0|2,0,0]=4 14318 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,2,0,0,0,0|2,0,0]=4 14319 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,2,0,0,0,0|2,0,0]=4 14320 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 14321 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,2,0,0,0,0|2,0,0]=4 14322 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,2,0,0,0,0|2,0,0]=4 14323 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,2,0,0,0,0|2,0,0]=4 14324 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,2,0,0,0,0|2,0,0]=4 14325 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,2,0,0,0,0|2,0,0]=4 14326 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|1,0,0]=3 14327 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|1,0,0]=3 14328 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|1,0,0]=3 14329 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|1,0,0]=3 14330 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,0]=3 14331 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|1,0,0]=3 14332 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|1,0,0]=3 14333 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|1,0,0]=3 14334 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|1,0,0]=3 14335 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|1,0,0]=3 14336 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|1,0,0]=3 14337 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|1,0,0]=3 14338 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|1,0,0]=3 14339 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|1,0,0]=3 14340 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|1,0,0]=3 14341 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|1,0,0]=3 14342 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|1,0,0]=3 14343 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|1,0,0]=3 14344 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|1,0,0]=3 14345 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|1,0,0]=3 14346 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,2,0,0,0,0|1,0,1]=4 14347 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,2,0,0,0,0|1,0,1]=4 14348 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,2,0,0,0,0|1,0,1]=4 14349 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,2,0,0,0,0|1,0,1]=4 14350 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|1,0,0]=3 14351 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|1,0,0]=3 14352 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|1,0,0]=3 14353 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|1,0,0]=3 14354 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|1,0,0]=3 14355 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|1,0,0]=3 14356 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|1,0,0]=3 14357 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|1,0,0]=3 14358 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|1,0,0]=3 14359 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|1,0,0]=3 14360 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|1,0,0]=3 14361 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|1,0,0]=3 14362 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|1,0,0]=3 14363 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,2,0,0,0,0|2,0,0]=4 14364 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|1,0,0]=3 14365 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|1,0,0]=3 14366 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,2,0,0,0,0|1,0,1]=4 14367 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,2,0,0,0,0|1,0,1]=4 14368 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|1,0,0]=3 14369 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|1,0,0]=3 14370 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|1,0,0]=3 14371 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|1,0,0]=3 14372 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|1,0,0]=3 14373 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|1,0,0]=3 14374 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 14375 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 14376 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|1,0,0]=3 14377 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,0]=3 14378 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 14379 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 14380 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 14381 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 14382 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,0]=3 14383 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 14384 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|1,0,0]=3 14385 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|1,0,0]=3 14386 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|2,0,0]=4 14387 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|2,0,0]=4 14388 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,2,0,0,0,0|1,0,1]=4 14389 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,2,0,0,0,0|1,0,1]=4 14390 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|1,0,1]=4 14391 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|1,0,1]=4 14392 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|1,0,0]=3 14393 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|1,0,0]=3 14394 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 14395 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|1,0,0]=3 14396 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,2,0,0,0,0|2,0,0]=4 14397 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,2,0,0,0,0|2,0,0]=4 14398 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,2,0,0,0,0|2,0,0]=4 14399 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|2,0,0]=4 14400 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|2,0,0]=4 14401 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|2,0,0]=4 14402 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|2,0,0]=4 14403 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|2,0,0]=4 14404 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|2,0,0]=4 14405 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|1,0,0]=3 14406 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|1,0,0]=3 14407 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|1,0,0]=3 14408 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|1,0,0]=3 14409 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|1,0,0]=3 14410 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,2,0,0,0,0|2,0,0]=4 14411 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|1,0,0]=3 14412 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|1,0,0]=3 14413 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|1,0,0]=3 14414 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|1,0,0]=3 14415 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,2,0,0,0,0|1,0,0]=3 14416 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|1,0,0]=3 14417 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|1,0,0]=3 14418 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|1,0,0]=3 14419 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|1,0,0]=3 14420 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|2,0,0]=4 14421 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|1,0,0]=3 14422 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|1,0,0]=3 14423 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,2,0,0,0,0|2,0,0]=4 14424 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|1,0,0]=3 14425 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,2,0,0,0,0|1,0,1]=4 14426 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,2,0,0,0,0|1,0,1]=4 14427 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,2,0,0,0,0|2,0,0]=4 14428 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,2,0,0,0,0|2,0,0]=4 14429 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|1,0,0]=3 14430 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|1,0,0]=3 14431 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|1,0,0]=3 14432 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|1,0,0]=3 14433 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,2,0,0,0,0|2,0,0]=4 14434 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 14435 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 14436 B10R0.74 [N-]=[N+]=NCCCCC(=O)CF 1458a_100000070148_100015361967 [0,2,0,0,0,0|2,0,0]=4 14437 B10R0.75 C#CCCCCC(=O)C(=C)C 1458a_100000185857_100010269958 [0,2,0,0,0,0|0,0,2]=4 14438 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000210198_100010269958 [0,2,0,0,0,0|0,0,1]=3 14439 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000696528_100000210206 [0,2,0,0,0,0|0,0,1]=3 14440 B10R0.75 C#CCCCCC(=O)C(C)F 1458a_100000062450_100010269958 [0,2,0,0,0,0|0,0,1]=3 14441 B10R0.75 C#CCCCCC(=O)C(O)O 1458a_100000233687_100010269958 [0,2,0,0,0,0|1,0,1]=4 14442 B10R0.75 C#CCCCCC(=O)N(C)C 11a_100102631434_100000696528 [0,2,0,0,0,0|1,0,1]=4 14443 B10R0.75 C#CCCCCC(=O)N(C)C 1626a_100102631434_100000696528 [0,2,0,0,0,0|1,0,1]=4 14444 B10R0.75 C#CCCCCC(=O)N(C)C 240690a_100102631434_100000696528 [0,2,0,0,0,0|1,0,1]=4 14445 B10R0.75 C#CCCCCC(=O)N(C)C 527a_100102631434_100000696528 [0,2,0,0,0,0|1,0,1]=4 14446 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|0,0,1]=3 14447 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|0,0,1]=3 14448 B10R0.75 C#CCCCNC(=O)C(C)C 11a_100000718082_100000210198 [0,2,0,0,0,0|0,0,2]=4 14449 B10R0.75 C#CCCCNC(=O)C(C)C 1626a_100000718082_100000210198 [0,2,0,0,0,0|0,0,2]=4 14450 B10R0.75 C#CCCCNC(=O)C(C)C 240690a_100000718082_100000210198 [0,2,0,0,0,0|0,0,2]=4 14451 B10R0.75 C#CCCCNC(=O)C(C)C 527a_100000718082_100000210198 [0,2,0,0,0,0|0,0,2]=4 14452 B10R0.75 C#CCCCNC(=O)C(C)F 11a_100000718082_100000062450 [0,2,0,0,0,0|0,0,2]=4 14453 B10R0.75 C#CCCCNC(=O)C(C)F 1626a_100000718082_100000062450 [0,2,0,0,0,0|0,0,2]=4 14454 B10R0.75 C#CCCCNC(=O)C(C)F 240690a_100000718082_100000062450 [0,2,0,0,0,0|0,0,2]=4 14455 B10R0.75 C#CCCCNC(=O)C(C)F 527a_100000718082_100000062450 [0,2,0,0,0,0|0,0,2]=4 14456 B10R0.75 C#CCCCNC(=O)[C@@H](C)O 240690a_100000718082_100000717761 [0,2,0,0,0,0|0,0,2]=4 14457 B10R0.75 C#CCCCNC(=O)[C@H](C)O 1626a_100000718082_217856618621 [0,2,0,0,0,0|0,0,2]=4 14458 B10R0.75 C#CCCCNC(=O)[C@H](C)O 240690a_100000718082_217856618621 [0,2,0,0,0,0|0,0,2]=4 14459 B10R0.75 C#CCCNCC(=O)C(C)C 34a_100000755551_100000753385 [0,2,0,0,0,0|0,0,2]=4 14460 B10R0.75 C#CCCOCC(=O)C(C)C 34a_100011215631_100000753385 [0,2,0,0,0,0|0,0,2]=4 14461 B10R0.75 C#CCCSCC(=O)C(C)C 62a_100000688953_100000753385 [0,2,0,0,0,0|0,0,2]=4 14462 B10R0.75 C#CCCSCC(=O)C(C)C 62a_100000753385_100000688953 [0,2,0,0,0,0|0,0,2]=4 14463 B10R0.75 C#CCOCCC(=O)C(C)C 1458a_100000210198_100010402529 [0,2,0,0,0,0|0,0,2]=4 14464 B10R0.75 C#CCOCCC(=O)C(C)C 1458a_100000693358_100000210206 [0,2,0,0,0,0|0,0,2]=4 14465 B10R0.75 C#CCOCCC(=O)C(C)F 1458a_100000062450_100010402529 [0,2,0,0,0,0|0,0,2]=4 14466 B10R0.75 C#CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100010402529 [0,2,0,0,0,0|0,0,2]=4 14467 B10R0.75 C#CCOCCC(=O)[C@H](C)O 1458a_217856618621_100010402529 [0,2,0,0,0,0|0,0,2]=4 14468 B10R0.75 C/C=C/COCC(=O)C(C)C 34a_100016270725_100000753385 [0,2,0,0,0,0|0,0,2]=4 14469 B10R0.75 C/C=C/CSCC(=O)C(C)C 62a_100000753385_100102629194 [0,2,0,0,0,0|0,0,2]=4 14470 B10R0.75 C/C=C/CSCC(=O)C(C)C 62a_100102629194_100000753385 [0,2,0,0,0,0|0,0,2]=4 14471 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,2,0,0,0,0|0,0,2]=4 14472 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,2,0,0,0,0|0,0,2]=4 14473 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [0,2,0,0,0,0|0,0,2]=4 14474 B10R0.75 C=C(C)C(=O)CCCCC#N 1458a_100000185857_100000211819 [0,2,0,0,0,0|0,0,2]=4 14475 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|0,0,1]=3 14476 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|0,0,1]=3 14477 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|0,0,1]=3 14478 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|0,0,1]=3 14479 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|0,0,1]=3 14480 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|0,0,1]=3 14481 B10R0.75 C=C(C)C(=O)CCOCCO 1458a_100000185857_100011215305 [0,2,0,0,0,0|1,0,1]=4 14482 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|0,0,1]=3 14483 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|0,0,1]=3 14484 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|0,0,1]=3 14485 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|1,0,1]=4 14486 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|1,0,1]=4 14487 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|1,0,1]=4 14488 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|1,0,1]=4 14489 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|1,0,1]=4 14490 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,2,0,0,0,0|1,0,1]=4 14491 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,2,0,0,0,0|1,0,1]=4 14492 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,2,0,0,0,0|1,0,1]=4 14493 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|1,0,1]=4 14494 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|1,0,1]=4 14495 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,2,0,0,0,0|1,0,1]=4 14496 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|1,0,1]=4 14497 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|1,0,1]=4 14498 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,2,0,0,0,0|1,0,1]=4 14499 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,2,0,0,0,0|1,0,1]=4 14500 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|1,0,1]=4 14501 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|1,0,1]=4 14502 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,2,0,0,0,0|0,0,2]=4 14503 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,2,0,0,0,0|0,0,2]=4 14504 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,2,0,0,0,0|0,0,2]=4 14505 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,2,0,0,0,0|0,0,2]=4 14506 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,2,0,0,0,0|0,0,2]=4 14507 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,2,0,0,0,0|0,0,1]=3 14508 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,2,0,0,0,0|0,0,1]=3 14509 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,2,0,0,0,0|0,0,1]=3 14510 B10R0.75 C=CCCCCC(=O)C(O)O 1458a_100000233687_100011215482 [0,2,0,0,0,0|1,0,1]=4 14511 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [0,2,0,0,0,0|1,0,1]=4 14512 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [0,2,0,0,0,0|1,0,1]=4 14513 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [0,2,0,0,0,0|1,0,1]=4 14514 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [0,2,0,0,0,0|1,0,1]=4 14515 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|0,0,1]=3 14516 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|0,0,1]=3 14517 B10R0.75 C=CCCCNC(=O)C(C)C 11a_100000700776_100000210198 [0,2,0,0,0,0|0,0,2]=4 14518 B10R0.75 C=CCCCNC(=O)C(C)C 1626a_100000700776_100000210198 [0,2,0,0,0,0|0,0,2]=4 14519 B10R0.75 C=CCCCNC(=O)C(C)C 240690a_100000700776_100000210198 [0,2,0,0,0,0|0,0,2]=4 14520 B10R0.75 C=CCCCNC(=O)C(C)C 527a_100000700776_100000210198 [0,2,0,0,0,0|0,0,2]=4 14521 B10R0.75 C=CCCCNC(=O)C(C)F 11a_100000700776_100000062450 [0,2,0,0,0,0|0,0,2]=4 14522 B10R0.75 C=CCCCNC(=O)C(C)F 1626a_100000700776_100000062450 [0,2,0,0,0,0|0,0,2]=4 14523 B10R0.75 C=CCCCNC(=O)C(C)F 240690a_100000700776_100000062450 [0,2,0,0,0,0|0,0,2]=4 14524 B10R0.75 C=CCCCNC(=O)C(C)F 527a_100000700776_100000062450 [0,2,0,0,0,0|0,0,2]=4 14525 B10R0.75 C=CCCCNC(=O)[C@@H](C)O 240690a_100000700776_100000717761 [0,2,0,0,0,0|0,0,2]=4 14526 B10R0.75 C=CCCCNC(=O)[C@H](C)O 1626a_100000700776_217856618621 [0,2,0,0,0,0|0,0,2]=4 14527 B10R0.75 C=CCCCNC(=O)[C@H](C)O 240690a_100000700776_217856618621 [0,2,0,0,0,0|0,0,2]=4 14528 B10R0.75 C=CCCNCC(=O)C(C)C 2230a_100015191253_100000753385 [0,2,0,0,0,0|0,0,2]=4 14529 B10R0.75 C=CCCOCC(=O)C(C)C 34a_100011205117_100000753385 [0,2,0,0,0,0|0,0,2]=4 14530 B10R0.75 C=CCCSCC(=O)C(C)C 62a_100000753385_100000754431 [0,2,0,0,0,0|0,0,2]=4 14531 B10R0.75 C=CCCSCC(=O)C(C)C 62a_100000754431_100000753385 [0,2,0,0,0,0|0,0,2]=4 14532 B10R0.75 C=CCOCCC(=O)C(C)C 1458a_200011217002_100000210206 [0,2,0,0,0,0|0,0,2]=4 14533 B10R0.75 CC#CCNCC(=O)C(C)C 2230a_100000685387_100000753385 [0,2,0,0,0,0|0,0,2]=4 14534 B10R0.75 CC#CCNCC(=O)C(C)C 34a_100000685387_100000753385 [0,2,0,0,0,0|0,0,2]=4 14535 B10R0.75 CC#CCOCC(=O)C(C)C 34a_100000761923_100000753385 [0,2,0,0,0,0|0,0,2]=4 14536 B10R0.75 CC#CCSCC(=O)C(C)C 62a_100000748600_100000753385 [0,2,0,0,0,0|0,0,2]=4 14537 B10R0.75 CC#CCSCC(=O)C(C)C 62a_100000753385_100000748600 [0,2,0,0,0,0|0,0,2]=4 14538 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|1,0,1]=4 14539 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|1,0,1]=4 14540 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|1,0,1]=4 14541 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|1,0,1]=4 14542 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|1,0,1]=4 14543 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|1,0,1]=4 14544 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|1,0,1]=4 14545 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|1,0,1]=4 14546 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|1,0,1]=4 14547 B10R0.75 CC(C)C(=O)CCCCC#N 1458a_100000210198_100000211819 [0,2,0,0,0,0|0,0,1]=3 14548 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|0,0,0]=2 14549 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|0,0,0]=2 14550 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|0,0,0]=2 14551 B10R0.75 CC(C)C(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210206 [0,2,0,0,0,0|2,0,0]=4 14552 B10R0.75 CC(C)C(=O)CCOCC#N 1458a_100000210198_200000047693 [0,2,0,0,0,0|1,0,1]=4 14553 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,2,0,0,0,0|1,0,0]=3 14554 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,2,0,0,0,0|1,0,0]=3 14555 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [0,2,0,0,0,0|1,0,0]=3 14556 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [0,2,0,0,0,0|1,0,0]=3 14557 B10R0.75 CC(C)C(=O)COCCCBr 34a_100011217188_100000753385 [0,2,0,0,0,0|1,0,0]=3 14558 B10R0.75 CC(C)C(=O)COCCCCl 34a_100000230001_100000753385 [0,2,0,0,0,0|1,0,0]=3 14559 B10R0.75 CC(C)C(=O)COCCCF 34a_100000759539_100000753385 [0,2,0,0,0,0|1,0,0]=3 14560 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [0,2,0,0,0,0|1,0,0]=3 14561 B10R0.75 CC(C)C(=O)COCCON 34a_100000700252_100000753385 [0,2,0,0,0,0|2,0,0]=4 14562 B10R0.75 CC(C)C(=O)CSCCC#N 62a_100000753385_100011215226 [0,2,0,0,0,0|1,0,1]=4 14563 B10R0.75 CC(C)C(=O)CSCCC#N 62a_100011215226_100000753385 [0,2,0,0,0,0|1,0,1]=4 14564 B10R0.75 CC(C)C(=O)CSCCCF 62a_100000753385_100011934791 [0,2,0,0,0,0|1,0,0]=3 14565 B10R0.75 CC(C)C(=O)CSCCCF 62a_100011934791_100000753385 [0,2,0,0,0,0|1,0,0]=3 14566 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,2,0,0,0,0|1,0,0]=3 14567 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,2,0,0,0,0|1,0,0]=3 14568 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,2,0,0,0,0|1,0,0]=3 14569 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,2,0,0,0,0|1,0,0]=3 14570 B10R0.75 CC(C)C(=O)NCCNCF 34a_100000752568_100015361967 [0,2,0,0,0,0|2,0,0]=4 14571 B10R0.75 CC(C)C(=O)OCSCCF 62a_100000139345_100011217306 [0,2,0,0,0,0|2,0,0]=4 14572 B10R0.75 CC(C)C(=O)OCSCCF 62a_100011217306_100000139345 [0,2,0,0,0,0|2,0,0]=4 14573 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000139345_100000211926 [0,2,0,0,0,0|2,0,0]=4 14574 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000211926_100000139345 [0,2,0,0,0,0|2,0,0]=4 14575 B10R0.75 CC(C)N(C)CCCCCF 269982a_200000211004_100000729378 [0,2,0,0,0,0|2,0,0]=4 14576 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 14577 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 14578 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 14579 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 14580 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [0,2,0,0,0,0|2,0,0]=4 14581 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 14582 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 14583 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 14584 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 14585 B10R0.75 CC(F)C(=O)CCCCC#N 1458a_100000062450_100000211819 [0,2,0,0,0,0|0,0,1]=3 14586 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|0,0,0]=2 14587 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|0,0,0]=2 14588 B10R0.75 CC(F)C(=O)CCOCC#N 1458a_100000062450_200000047693 [0,2,0,0,0,0|1,0,1]=4 14589 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,2,0,0,0,0|1,0,0]=3 14590 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,2,0,0,0,0|1,0,0]=3 14591 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,2,0,0,0,0|1,0,0]=3 14592 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,2,0,0,0,0|0,0,1]=3 14593 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,2,0,0,0,0|0,0,1]=3 14594 B10R0.75 CC/C=C\CCC(=O)C(O)O 1458a_100000233687_100015370543 [0,2,0,0,0,0|1,0,1]=4 14595 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|0,0,1]=3 14596 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|0,0,1]=3 14597 B10R0.75 CC=CCSCC(=O)C(C)C 62a_100000070051_100000753385 [0,2,0,0,0,0|0,0,2]=4 14598 B10R0.75 CC=CCSCC(=O)C(C)C 62a_100000753385_100000070051 [0,2,0,0,0,0|0,0,2]=4 14599 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,2,0,0,0,0|0,0,1]=3 14600 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,2,0,0,0,0|1,0,1]=4 14601 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,2,0,0,0,0|1,0,1]=4 14602 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,2,0,0,0,0|1,0,1]=4 14603 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,2,0,0,0,0|1,0,1]=4 14604 B10R0.75 CCCC=NNC(=O)C(C)C 4a_100000184118_100000185831 [0,2,0,0,0,0|1,0,1]=4 14605 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,2,0,0,0,0|0,0,1]=3 14606 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,2,0,0,0,0|1,0,1]=4 14607 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,2,0,0,0,0|1,0,1]=4 14608 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,2,0,0,0,0|1,0,1]=4 14609 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|0,0,0]=2 14610 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|0,0,0]=2 14611 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|0,0,0]=2 14612 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|1,0,0]=3 14613 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 14614 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 14615 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 14616 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 14617 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,0]=2 14618 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,0]=2 14619 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,2,0,0,0,0|2,0,0]=4 14620 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,2,0,0,0,0|2,0,0]=4 14621 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,2,0,0,0,0|2,0,0]=4 14622 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|1,0,1]=4 14623 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|0,0,0]=2 14624 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|0,0,0]=2 14625 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|0,0,0]=2 14626 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|0,0,0]=2 14627 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|0,0,0]=2 14628 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|0,0,0]=2 14629 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|0,0,0]=2 14630 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|0,0,0]=2 14631 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|1,0,0]=3 14632 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|1,0,0]=3 14633 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|1,0,0]=3 14634 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|1,0,0]=3 14635 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|1,0,0]=3 14636 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|1,0,0]=3 14637 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|0,0,0]=2 14638 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|0,0,0]=2 14639 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|0,0,0]=2 14640 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,2,0,0,0,0|1,0,1]=4 14641 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,2,0,0,0,0|1,0,1]=4 14642 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|0,0,0]=2 14643 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|0,0,0]=2 14644 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|1,0,0]=3 14645 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|1,0,0]=3 14646 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|1,0,0]=3 14647 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,2,0,0,0,0|0,0,2]=4 14648 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|0,0,2]=4 14649 B10R0.75 CCCCNN=C(C)C(C)C 4a_100025702795_100000211110 [0,2,0,0,0,0|2,0,0]=4 14650 B10R0.75 CCCCNN=C(C)C(C)O 4a_100025702795_100000212229 [0,2,0,0,0,0|2,0,0]=4 14651 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,2,0,0,0,0|1,0,0]=3 14652 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,2,0,0,0,0|1,0,0]=3 14653 B10R0.75 CCCCNNC(=O)C(F)F 22a_100025702795_100000210393 [0,2,0,0,0,0|2,0,0]=4 14654 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,2,0,0,0,0|2,0,0]=4 14655 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|1,0,0]=3 14656 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|1,0,0]=3 14657 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|0,0,1]=3 14658 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|0,0,0]=2 14659 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|0,0,0]=2 14660 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|0,0,0]=2 14661 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|0,0,0]=2 14662 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|0,0,0]=2 14663 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|1,0,0]=3 14664 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 14665 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 14666 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 14667 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|1,0,0]=3 14668 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 14669 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|1,0,0]=3 14670 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|0,0,0]=2 14671 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|0,0,0]=2 14672 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [0,2,0,0,0,0|2,0,0]=4 14673 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|1,0,1]=4 14674 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|0,0,1]=3 14675 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|0,0,1]=3 14676 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|0,0,0]=2 14677 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|0,0,0]=2 14678 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|0,0,0]=2 14679 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 14680 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 14681 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 14682 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 14683 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|1,0,0]=3 14684 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|1,0,0]=3 14685 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,2,0,0,0,0|1,0,0]=3 14686 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|0,0,0]=2 14687 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|0,0,0]=2 14688 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|1,0,0]=3 14689 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,2,0,0,0,0|1,0,0]=3 14690 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|0,0,0]=2 14691 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|0,0,0]=2 14692 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,2,0,0,0,0|1,0,1]=4 14693 B10R0.75 CCCOCCN(C)C(C)C 269982a_200000211004_100011215938 [0,2,0,0,0,0|2,0,0]=4 14694 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,2,0,0,0,0|1,0,0]=3 14695 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,2,0,0,0,0|1,0,0]=3 14696 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [0,2,0,0,0,0|1,0,0]=3 14697 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [0,2,0,0,0,0|1,0,0]=3 14698 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,2,0,0,0,0|1,0,0]=3 14699 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,2,0,0,0,0|1,0,0]=3 14700 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [0,2,0,0,0,0|1,0,0]=3 14701 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [0,2,0,0,0,0|1,0,0]=3 14702 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|0,0,0]=2 14703 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|0,0,0]=2 14704 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|1,0,0]=3 14705 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|0,0,0]=2 14706 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|0,0,0]=2 14707 B10R0.75 CCOCCCN(C)C(C)C 269982a_200000211004_100012232248 [0,2,0,0,0,0|2,0,0]=4 14708 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [0,2,0,0,0,0|1,0,0]=3 14709 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [0,2,0,0,0,0|1,0,0]=3 14710 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [0,2,0,0,0,0|1,0,0]=3 14711 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [0,2,0,0,0,0|1,0,0]=3 14712 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 14713 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [0,2,0,0,0,0|1,0,0]=3 14714 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 14715 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 14716 B10R0.75 CCOCCNC(=O)C(F)F 11a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 14717 B10R0.75 CCOCCNC(=O)C(F)F 1626a_102516460346_100000210393 [0,2,0,0,0,0|2,0,0]=4 14718 B10R0.75 CCOCCNC(=O)C(F)F 240690a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 14719 B10R0.75 CCOCCNC(=O)C(F)F 527a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 14720 B10R0.75 CCOCCNC(=O)C(O)O 240690a_100011200944_100000233687 [0,2,0,0,0,0|2,0,0]=4 14721 B10R0.75 CCOCCNC(=O)N(C)C 2708a_100011200944_100102631434 [0,2,0,0,0,0|2,0,0]=4 14722 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|1,0,0]=3 14723 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|1,0,0]=3 14724 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|1,0,0]=3 14725 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|1,0,1]=4 14726 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|1,0,1]=4 14727 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000739092_100000753385 [0,2,0,0,0,0|1,0,0]=3 14728 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000753385_100000739092 [0,2,0,0,0,0|1,0,0]=3 14729 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000692301_100000739092 [0,2,0,0,0,0|2,0,0]=4 14730 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000739092_100000692301 [0,2,0,0,0,0|2,0,0]=4 14731 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,2,0,0,0,0|1,0,0]=3 14732 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,2,0,0,0,0|1,0,0]=3 14733 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,2,0,0,0,0|1,0,0]=3 14734 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,2,0,0,0,0|1,0,0]=3 14735 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,2,0,0,0,0|1,0,0]=3 14736 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,2,0,0,0,0|1,0,0]=3 14737 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,2,0,0,0,0|1,0,0]=3 14738 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,2,0,0,0,0|1,0,0]=3 14739 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,2,0,0,0,0|1,0,0]=3 14740 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,2,0,0,0,0|1,0,0]=3 14741 B10R0.75 CCSCCNC(=O)C(F)F 11a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 14742 B10R0.75 CCSCCNC(=O)C(F)F 1626a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 14743 B10R0.75 CCSCCNC(=O)C(F)F 240690a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 14744 B10R0.75 CCSCCNC(=O)C(F)F 527a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 14745 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,2,0,0,0,0|2,0,0]=4 14746 B10R0.75 CCSCCNC(=O)N(C)C 2708a_100000106463_100102631434 [0,2,0,0,0,0|2,0,0]=4 14747 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|1,0,0]=3 14748 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|1,0,0]=3 14749 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|1,0,0]=3 14750 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|1,0,0]=3 14751 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|1,0,0]=3 14752 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|1,0,0]=3 14753 B10R0.75 CN(C)C(=O)CCCSCF 62a_100000737642_100015361967 [0,2,0,0,0,0|2,0,0]=4 14754 B10R0.75 CN(C)C(=O)CCCSCF 62a_100015361967_100000737642 [0,2,0,0,0,0|2,0,0]=4 14755 B10R0.75 CN(C)C(=O)CCNCCF 2230a_100000738053_100011217306 [0,2,0,0,0,0|2,0,0]=4 14756 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100000738053_100000211926 [0,2,0,0,0,0|2,0,0]=4 14757 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100016997473_100000737620 [0,2,0,0,0,0|2,0,0]=4 14758 B10R0.75 CN(C)C(=O)CCOCCF 34a_200000747469_100011217306 [0,2,0,0,0,0|2,0,0]=4 14759 B10R0.75 CN(C)C(=O)CCOCCO 1626a_100102631434_100011229844 [0,2,0,0,0,0|2,0,0]=4 14760 B10R0.75 CN(C)C(=O)CCOCCO 240690a_100102631434_100011229844 [0,2,0,0,0,0|2,0,0]=4 14761 B10R0.75 CN(C)C(=O)CCOCCO 34a_200000747469_100000211926 [0,2,0,0,0,0|2,0,0]=4 14762 B10R0.75 CN(C)C(=O)CCSCCF 62a_100000737620_100011217306 [0,2,0,0,0,0|2,0,0]=4 14763 B10R0.75 CN(C)C(=O)CCSCCF 62a_100011217306_100000737620 [0,2,0,0,0,0|2,0,0]=4 14764 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000211926_100000737620 [0,2,0,0,0,0|2,0,0]=4 14765 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000737620_100000211926 [0,2,0,0,0,0|2,0,0]=4 14766 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015183351_100011934791 [0,2,0,0,0,0|2,0,0]=4 14767 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015189416_100000185267 [0,2,0,0,0,0|2,0,0]=4 14768 B10R0.75 CN(C)C(=O)CNCCCF 34a_100015189416_100000692301 [0,2,0,0,0,0|2,0,0]=4 14769 B10R0.75 CN(C)C(=O)CNCCCO 2230a_100015183351_100000230001 [0,2,0,0,0,0|2,0,0]=4 14770 B10R0.75 CN(C)C(=O)COCCCBr 34a_100011217188_100000692301 [0,2,0,0,0,0|2,0,0]=4 14771 B10R0.75 CN(C)C(=O)COCCCCl 34a_100000230001_100000692301 [0,2,0,0,0,0|2,0,0]=4 14772 B10R0.75 CN(C)C(=O)COCCCF 34a_100000759539_100000692301 [0,2,0,0,0,0|2,0,0]=4 14773 B10R0.75 CN(C)C(=O)COCCCN 34a_100000182051_100000692301 [0,2,0,0,0,0|2,0,0]=4 14774 B10R0.75 CN(C)C(=O)CSCCCF 62a_100000692301_100011934791 [0,2,0,0,0,0|2,0,0]=4 14775 B10R0.75 CN(C)C(=O)CSCCCF 62a_100011934791_100000692301 [0,2,0,0,0,0|2,0,0]=4 14776 B10R0.75 CN(C)C(=O)CSCCCO 62a_100000692301_100011215043 [0,2,0,0,0,0|2,0,0]=4 14777 B10R0.75 CN(C)C(=O)CSCCCO 62a_100011215043_100000692301 [0,2,0,0,0,0|2,0,0]=4 14778 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [0,2,0,0,0,0|2,0,0]=4 14779 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|1,0,0]=3 14780 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|1,0,0]=3 14781 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|0,0,0]=2 14782 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|0,0,0]=2 14783 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|1,0,0]=3 14784 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|1,0,0]=3 14785 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|0,0,0]=2 14786 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|0,0,0]=2 14787 B10R0.75 COCCCCN(C)C(C)C 269982a_200000211004_100000730899 [0,2,0,0,0,0|2,0,0]=4 14788 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,2,0,0,0,0|1,0,0]=3 14789 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,2,0,0,0,0|1,0,0]=3 14790 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,2,0,0,0,0|1,0,0]=3 14791 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 14792 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 14793 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 14794 B10R0.75 COCCCNC(=O)C(F)F 1626a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 14795 B10R0.75 COCCCNC(=O)C(F)F 240690a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 14796 B10R0.75 COCCCNC(=O)C(F)F 527a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 14797 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,2,0,0,0,0|2,0,0]=4 14798 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,2,0,0,0,0|2,0,0]=4 14799 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|1,0,0]=3 14800 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|1,0,0]=3 14801 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|1,0,0]=3 14802 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,2,0,0,0,0|1,0,0]=3 14803 B10R0.75 COCCNCC(=O)N(C)C 2230a_100000209980_100000185267 [0,2,0,0,0,0|2,0,0]=4 14804 B10R0.75 COCCNCC(=O)N(C)C 2230a_100015183351_100011201679 [0,2,0,0,0,0|2,0,0]=4 14805 B10R0.75 COCCNNC(=O)C(C)C 22a_100000741390_100000210198 [0,2,0,0,0,0|2,0,0]=4 14806 B10R0.75 COCCNNC(=O)C(C)F 22a_100000741390_100000062450 [0,2,0,0,0,0|2,0,0]=4 14807 B10R0.75 COCCNNC(=O)[C@@H](C)O 22a_100000741390_100000717761 [0,2,0,0,0,0|2,0,0]=4 14808 B10R0.75 COCCNNC(=O)[C@H](C)O 22a_100000741390_217856618621 [0,2,0,0,0,0|2,0,0]=4 14809 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,0,1]=4 14810 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,2,0,0,0,0|1,0,0]=3 14811 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,2,0,0,0,0|1,0,0]=3 14812 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 14813 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 14814 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 14815 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,2,0,0,0,0|2,0,0]=4 14816 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 14817 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|1,0,1]=4 14818 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|1,0,1]=4 14819 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,2,0,0,0,0|1,0,0]=3 14820 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,2,0,0,0,0|1,0,0]=3 14821 B10R0.75 COCCSCC(=O)N(C)C 62a_100000233755_100000692301 [0,2,0,0,0,0|2,0,0]=4 14822 B10R0.75 COCCSCC(=O)N(C)C 62a_100000692301_100000233755 [0,2,0,0,0,0|2,0,0]=4 14823 B10R0.75 COCNCCC(=O)N(C)C 2230a_100000738053_100000766300 [0,2,0,0,0,0|2,0,0]=4 14824 B10R0.75 COCSCCC(=O)N(C)C 62a_100000737620_100000766300 [0,2,0,0,0,0|2,0,0]=4 14825 B10R0.75 COCSCCC(=O)N(C)C 62a_100000766300_100000737620 [0,2,0,0,0,0|2,0,0]=4 14826 B10R0.75 COCSCOC(=O)C(C)C 62a_100000139345_100000766300 [0,2,0,0,0,0|2,0,0]=4 14827 B10R0.75 COCSCOC(=O)C(C)C 62a_100000766300_100000139345 [0,2,0,0,0,0|2,0,0]=4 14828 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|1,0,0]=3 14829 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|1,0,0]=3 14830 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 14831 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 14832 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 14833 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 14834 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 14835 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 14836 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 14837 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 14838 B10R0.75 CSCCCNC(=O)C(F)F 11a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 14839 B10R0.75 CSCCCNC(=O)C(F)F 1626a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 14840 B10R0.75 CSCCCNC(=O)C(F)F 240690a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 14841 B10R0.75 CSCCCNC(=O)C(F)F 527a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 14842 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|2,0,0]=4 14843 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,2,0,0,0,0|2,0,0]=4 14844 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|1,0,0]=3 14845 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|1,0,0]=3 14846 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|1,0,0]=3 14847 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,2,0,0,0,0|1,0,0]=3 14848 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100015183351_100000751147 [0,2,0,0,0,0|2,0,0]=4 14849 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100020590264_100000185267 [0,2,0,0,0,0|2,0,0]=4 14850 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|1,0,1]=4 14851 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,2,0,0,0,0|1,0,0]=3 14852 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,2,0,0,0,0|1,0,0]=3 14853 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 14854 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 14855 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|1,0,1]=4 14856 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|1,0,1]=4 14857 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,2,0,0,0,0|1,0,0]=3 14858 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,2,0,0,0,0|1,0,0]=3 14859 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000212216_100000692301 [0,2,0,0,0,0|2,0,0]=4 14860 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000692301_100000751147 [0,2,0,0,0,0|2,0,0]=4 14861 B10R0.75 CSCNCCC(=O)N(C)C 2230a_100000738053_100011218213 [0,2,0,0,0,0|2,0,0]=4 14862 B10R0.75 CSCOCCC(=O)N(C)C 34a_200000747469_100011218213 [0,2,0,0,0,0|2,0,0]=4 14863 B10R0.75 CSCSCCC(=O)N(C)C 62a_100000737620_100011218213 [0,2,0,0,0,0|2,0,0]=4 14864 B10R0.75 CSCSCCC(=O)N(C)C 62a_100011218213_100000737620 [0,2,0,0,0,0|2,0,0]=4 14865 B10R0.75 CSCSCOC(=O)C(C)C 62a_100000139345_100011218213 [0,2,0,0,0,0|2,0,0]=4 14866 B10R0.75 CSCSCOC(=O)C(C)C 62a_100011218213_100000139345 [0,2,0,0,0,0|2,0,0]=4 14867 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|0,0,1]=3 14868 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|0,0,0]=2 14869 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|0,0,0]=2 14870 B10R0.75 C[C@@H](O)C(=O)CCOCC#N 1458a_100000717761_200000047693 [0,2,0,0,0,0|1,0,1]=4 14871 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|1,0,0]=3 14872 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|1,0,0]=3 14873 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|0,0,1]=3 14874 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|0,0,0]=2 14875 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|0,0,0]=2 14876 B10R0.75 C[C@H](O)C(=O)CCOCC#N 1458a_217856618621_200000047693 [0,2,0,0,0,0|1,0,1]=4 14877 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|1,0,0]=3 14878 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|1,0,0]=3 14879 B10R0.75 N#CCCCCC(=O)C(O)O 1458a_100000233687_100000211819 [0,2,0,0,0,0|1,0,1]=4 14880 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|1,0,0]=3 14881 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|1,0,0]=3 14882 B10R0.75 O=C(CCOCCO)C(O)O 1458a_100000233687_100011215305 [0,2,0,0,0,0|2,0,0]=4 14883 B10R0.75 O=C(NCCCCO)C(F)F 240690a_100000750430_100000210393 [0,2,0,0,0,0|2,0,0]=4 14884 B10R0.75 O=C(NCCCCO)C(F)F 527a_100000750430_100000210393 [0,2,0,0,0,0|2,0,0]=4 14885 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,2,0,0,0,0|2,0,0]=4 14886 B10R0.5 C#CCCCC(=O)C(C)(C)C 1458a_106744555173_100000731252 [0,2,0,0,0,0|0,0,2]=4 14887 B10R0.5 C#CCCCC(=O)C(C)(C)F 1458a_100000765255_100000731252 [0,2,0,0,0,0|0,0,2]=4 14888 B10R0.5 C#CCCCC(=O)C(C)(C)O 1458a_100000242741_100000731252 [0,2,0,0,0,0|0,0,2]=4 14889 B10R0.5 C=CCCCC(=O)C(C)(C)C 1458a_106744555173_100000757094 [0,2,0,0,0,0|0,0,2]=4 14890 B10R0.5 C=CCCCC(=O)C(C)(C)F 1458a_100000765255_100000757094 [0,2,0,0,0,0|0,0,2]=4 14891 B10R0.5 C=CCCCC(=O)C(C)(C)O 1458a_100000242741_100000757094 [0,2,0,0,0,0|0,0,2]=4 14892 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 34a_100009817195_200025704644 [0,2,0,0,0,0|2,0,0]=4 14893 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 7a_100009817195_200025704644 [0,2,0,0,0,0|2,0,0]=4 14894 B10R0.5 CC(C)(C)C(=O)CCCC#N 1458a_106744555173_100000211468 [0,2,0,0,0,0|1,0,1]=4 14895 B10R0.5 CC(C)(C)C(=O)CCCCF 1458a_106744555173_100000729493 [0,2,0,0,0,0|1,0,0]=3 14896 B10R0.5 CC(C)(C)C(=O)CCCCO 1458a_106744555173_100000210776 [0,2,0,0,0,0|1,0,0]=3 14897 B10R0.5 CC(C)(C)C(=O)CNCCF 34a_100000724931_100000229897 [0,2,0,0,0,0|2,0,0]=4 14898 B10R0.5 CC(C)(C)C(=O)CNCCO 34a_100016990907_100000229897 [0,2,0,0,0,0|2,0,0]=4 14899 B10R0.5 CC(C)(C)C(=O)COCCBr 34a_100000211926_100000229897 [0,2,0,0,0,0|2,0,0]=4 14900 B10R0.5 CC(C)(C)C(=O)COCCF 34a_200011592769_100011217306 [0,2,0,0,0,0|2,0,0]=4 14901 B10R0.5 CC(C)(C)C(=O)COCCF 7a_200011592769_100011217306 [0,2,0,0,0,0|2,0,0]=4 14902 B10R0.5 CC(C)(C)C(=O)COCCN 34a_100000210304_100000229897 [0,2,0,0,0,0|2,0,0]=4 14903 B10R0.5 CC(C)(C)C(=O)COCCO 34a_200011592769_100000211926 [0,2,0,0,0,0|2,0,0]=4 14904 B10R0.5 CC(C)(C)C(=O)COCCO 7a_200011592769_100000211926 [0,2,0,0,0,0|2,0,0]=4 14905 B10R0.5 CC(C)(C)C(=O)CSCCF 62a_100000210923_100011217306 [0,2,0,0,0,0|2,0,0]=4 14906 B10R0.5 CC(C)(C)C(=O)CSCCF 62a_100011217306_100000210923 [0,2,0,0,0,0|2,0,0]=4 14907 B10R0.5 CC(C)(C)C(=O)CSCCO 62a_100000210923_100000211926 [0,2,0,0,0,0|2,0,0]=4 14908 B10R0.5 CC(C)(C)C(=O)CSCCO 62a_100000211926_100000210923 [0,2,0,0,0,0|2,0,0]=4 14909 B10R0.5 CC(C)(C)C(=O)NCCCF 11a_100015189416_106744555173 [0,2,0,0,0,0|2,0,0]=4 14910 B10R0.5 CC(C)(C)C(=O)NCCCF 1626a_100015189416_106744555173 [0,2,0,0,0,0|2,0,0]=4 14911 B10R0.5 CC(C)(C)C(=O)NCCCF 240690a_100015189416_106744555173 [0,2,0,0,0,0|2,0,0]=4 14912 B10R0.5 CC(C)(C)C(=O)NCCCF 527a_100015189416_106744555173 [0,2,0,0,0,0|2,0,0]=4 14913 B10R0.5 CC(C)(C)C(=O)NCCCO 240690a_100000182051_106744555173 [0,2,0,0,0,0|2,0,0]=4 14914 B10R0.5 CC(C)(C)C(=O)NCCCO 527a_100000182051_106744555173 [0,2,0,0,0,0|2,0,0]=4 14915 B10R0.5 CC(C)(F)C(=O)CCCC#N 1458a_100000765255_100000211468 [0,2,0,0,0,0|1,0,1]=4 14916 B10R0.5 CC(C)(F)C(=O)CCCCF 1458a_100000765255_100000729493 [0,2,0,0,0,0|1,0,0]=3 14917 B10R0.5 CC(C)(F)C(=O)CCCCO 1458a_100000765255_100000210776 [0,2,0,0,0,0|1,0,0]=3 14918 B10R0.5 CC(C)(F)C(=O)NCCCF 11a_100015189416_100000765255 [0,2,0,0,0,0|2,0,0]=4 14919 B10R0.5 CC(C)(F)C(=O)NCCCF 1626a_100015189416_100000765255 [0,2,0,0,0,0|2,0,0]=4 14920 B10R0.5 CC(C)(F)C(=O)NCCCF 240690a_100015189416_100000765255 [0,2,0,0,0,0|2,0,0]=4 14921 B10R0.5 CC(C)(F)C(=O)NCCCF 527a_100015189416_100000765255 [0,2,0,0,0,0|2,0,0]=4 14922 B10R0.5 CC(C)(F)C(=O)NCCCO 240690a_100000182051_100000765255 [0,2,0,0,0,0|2,0,0]=4 14923 B10R0.5 CC(C)(F)C(=O)NCCCO 527a_100000182051_100000765255 [0,2,0,0,0,0|2,0,0]=4 14924 B10R0.5 CC(C)(O)C(=O)CCCC#N 1458a_100000242741_100000211468 [0,2,0,0,0,0|1,0,1]=4 14925 B10R0.5 CC(C)(O)C(=O)CCCCF 1458a_100000242741_100000729493 [0,2,0,0,0,0|1,0,0]=3 14926 B10R0.5 CC(C)(O)C(=O)CCCCO 1458a_100000242741_100000210776 [0,2,0,0,0,0|1,0,0]=3 14927 B10R0.5 CC(C)(O)C(=O)NCCCF 240690a_100015189416_100000242741 [0,2,0,0,0,0|2,0,0]=4 14928 B10R0.5 CC(C)(O)C(=O)NCCCO 240690a_100000182051_100000242741 [0,2,0,0,0,0|2,0,0]=4 14929 B10R0.5 CC(F)(F)C(=O)NCCCF 11a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 14930 B10R0.5 CC(F)(F)C(=O)NCCCF 1626a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 14931 B10R0.5 CC(F)(F)C(=O)NCCCF 240690a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 14932 B10R0.5 CC(F)(F)C(=O)NCCCF 527a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 14933 B10R0.5 CC(F)(F)C(=O)NCCCO 240690a_100000182051_100000042251 [0,2,0,0,0,0|2,0,0]=4 14934 B10R0.5 CC(F)(F)C(=O)NCCCO 527a_100000182051_100000042251 [0,2,0,0,0,0|2,0,0]=4 14935 B10R0.5 CC/C=C\CC(=O)C(C)(C)C 1458a_106744555173_100103147603 [0,2,0,0,0,0|0,0,2]=4 14936 B10R0.5 CC/C=C\CC(=O)C(C)(C)F 1458a_100000765255_100103147603 [0,2,0,0,0,0|0,0,2]=4 14937 B10R0.5 CC/C=C\CC(=O)C(C)(C)O 1458a_100000242741_100103147603 [0,2,0,0,0,0|0,0,2]=4 14938 B10R0.5 CCC#CCC(=O)C(C)(C)C 1458a_106744555173_100009813939 [0,2,0,0,0,0|0,0,2]=4 14939 B10R0.5 CCC#CCC(=O)C(C)(C)F 1458a_100000765255_100009813939 [0,2,0,0,0,0|0,0,2]=4 14940 B10R0.5 CCC#CCC(=O)C(C)(C)O 1458a_100000242741_100009813939 [0,2,0,0,0,0|0,0,2]=4 14941 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,2,0,0,0,0|0,0,0]=2 14942 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,2,0,0,0,0|0,0,0]=2 14943 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|0,0,0]=2 14944 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100000212188_200000243211 [0,2,0,0,0,0|1,0,0]=3 14945 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210326 [0,2,0,0,0,0|1,0,0]=3 14946 B10R0.5 CCCCCN(C)C(C)(C)C 269982a_100000223495_100000210625 [0,2,0,0,0,0|2,0,0]=4 14947 B10R0.5 CCCCCN(C)C(C)(C)C 269982a_100011215553_100000210215 [0,2,0,0,0,0|2,0,0]=4 14948 B10R0.5 CCCCNC(=O)C(C)(C)C 11a_100000102301_106744555173 [0,2,0,0,0,0|1,0,0]=3 14949 B10R0.5 CCCCNC(=O)C(C)(C)C 1626a_100000102301_106744555173 [0,2,0,0,0,0|1,0,0]=3 14950 B10R0.5 CCCCNC(=O)C(C)(C)C 240690a_100000102301_106744555173 [0,2,0,0,0,0|1,0,0]=3 14951 B10R0.5 CCCCNC(=O)C(C)(C)C 527a_100000102301_106744555173 [0,2,0,0,0,0|1,0,0]=3 14952 B10R0.5 CCCCNC(=O)C(C)(C)F 11a_100000102301_100000765255 [0,2,0,0,0,0|1,0,0]=3 14953 B10R0.5 CCCCNC(=O)C(C)(C)F 1626a_100000102301_100000765255 [0,2,0,0,0,0|1,0,0]=3 14954 B10R0.5 CCCCNC(=O)C(C)(C)F 240690a_100000102301_100000765255 [0,2,0,0,0,0|1,0,0]=3 14955 B10R0.5 CCCCNC(=O)C(C)(C)F 527a_100000102301_100000765255 [0,2,0,0,0,0|1,0,0]=3 14956 B10R0.5 CCCCNC(=O)C(C)(C)O 240690a_100000102301_100000242741 [0,2,0,0,0,0|1,0,0]=3 14957 B10R0.5 CCCCNC(=O)C(C)(F)F 11a_100000102301_100000042251 [0,2,0,0,0,0|1,0,0]=3 14958 B10R0.5 CCCCNC(=O)C(C)(F)F 1626a_100000102301_100000042251 [0,2,0,0,0,0|1,0,0]=3 14959 B10R0.5 CCCCNC(=O)C(C)(F)F 240690a_100000102301_100000042251 [0,2,0,0,0,0|1,0,0]=3 14960 B10R0.5 CCCCNC(=O)C(C)(F)F 527a_100000102301_100000042251 [0,2,0,0,0,0|1,0,0]=3 14961 B10R0.5 CCCCNC(=O)C(F)(F)F 11a_100000102301_100015355933 [0,2,0,0,0,0|2,0,0]=4 14962 B10R0.5 CCCCNC(=O)C(F)(F)F 1626a_100000102301_100015355933 [0,2,0,0,0,0|2,0,0]=4 14963 B10R0.5 CCCCNC(=O)C(F)(F)F 240690a_100000102301_100015355933 [0,2,0,0,0,0|2,0,0]=4 14964 B10R0.5 CCCCNC(=O)C(F)(F)F 527a_100000102301_100000210220 [0,2,0,0,0,0|2,0,0]=4 14965 B10R0.5 CCCNNC(=O)C(C)(C)C 22a_100000740057_106744555173 [0,2,0,0,0,0|2,0,0]=4 14966 B10R0.5 CCCNNC(=O)C(C)(C)F 22a_100000740057_100000765255 [0,2,0,0,0,0|2,0,0]=4 14967 B10R0.5 CCCNNC(=O)C(C)(C)O 22a_100000740057_100000242741 [0,2,0,0,0,0|2,0,0]=4 14968 B10R0.5 CCCNNC(=O)C(C)(F)F 22a_100000740057_100000042251 [0,2,0,0,0,0|2,0,0]=4 14969 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_100000210258_100000229897 [0,2,0,0,0,0|1,0,0]=3 14970 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_200011592769_100000210303 [0,2,0,0,0,0|1,0,0]=3 14971 B10R0.5 CCCOCC(=O)C(C)(C)C 7a_200011592769_100000210303 [0,2,0,0,0,0|1,0,0]=3 14972 B10R0.5 CCCOCC(=O)C(F)(F)F 1458a_100000745993_200000243211 [0,2,0,0,0,0|2,0,0]=4 14973 B10R0.5 CCCOCC(=O)C(F)(F)F 34a_100000210258_100000002480 [0,2,0,0,0,0|2,0,0]=4 14974 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210303_100000210923 [0,2,0,0,0,0|1,0,0]=3 14975 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210923_100000210303 [0,2,0,0,0,0|1,0,0]=3 14976 B10R0.5 CCCSCC(=O)C(F)(F)F 1458a_100000217233_200000243211 [0,2,0,0,0,0|2,0,0]=4 14977 B10R0.5 CCCSCC(=O)C(F)(F)F 62a_100000002480_100000210303 [0,2,0,0,0,0|2,0,0]=4 14978 B10R0.5 CCCSCC(=O)C(F)(F)F 62a_100000210303_100000002480 [0,2,0,0,0,0|2,0,0]=4 14979 B10R0.5 CCOCCC(=O)C(C)(C)C 1458a_106744555173_100011215890 [0,2,0,0,0,0|1,0,0]=3 14980 B10R0.5 CCOCCC(=O)C(C)(C)F 1458a_100000765255_100011215890 [0,2,0,0,0,0|1,0,0]=3 14981 B10R0.5 CCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215890 [0,2,0,0,0,0|1,0,0]=3 14982 B10R0.5 CCOCCC(=O)C(F)(F)F 1458a_100000749530_200000243211 [0,2,0,0,0,0|2,0,0]=4 14983 B10R0.5 CCOCCC(=O)C(F)(F)F 1458a_100015355933_100011215890 [0,2,0,0,0,0|2,0,0]=4 14984 B10R0.5 CCSCCC(=O)C(C)(C)C 1458a_106744555173_100000757381 [0,2,0,0,0,0|1,0,0]=3 14985 B10R0.5 CCSCCC(=O)C(C)(C)F 1458a_100000765255_100000757381 [0,2,0,0,0,0|1,0,0]=3 14986 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,2,0,0,0,0|1,0,0]=3 14987 B10R0.5 CCSCCC(=O)C(F)(F)F 1458a_100000230768_200000243211 [0,2,0,0,0,0|2,0,0]=4 14988 B10R0.5 CCSCCC(=O)C(F)(F)F 1458a_100015355933_100000757381 [0,2,0,0,0,0|2,0,0]=4 14989 B10R0.5 CCSCOC(=O)C(C)(C)C 62a_100000032063_100000210202 [0,2,0,0,0,0|2,0,0]=4 14990 B10R0.5 CCSCOC(=O)C(C)(C)C 62a_100000210202_100000032063 [0,2,0,0,0,0|2,0,0]=4 14991 B10R0.5 COCCCC(=O)C(C)(C)C 1458a_106744555173_100000740836 [0,2,0,0,0,0|1,0,0]=3 14992 B10R0.5 COCCCC(=O)C(C)(C)F 1458a_100000765255_100000740836 [0,2,0,0,0,0|1,0,0]=3 14993 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,2,0,0,0,0|1,0,0]=3 14994 B10R0.5 COCCCC(=O)C(F)(F)F 1458a_100000741012_200000243211 [0,2,0,0,0,0|2,0,0]=4 14995 B10R0.5 COCCCC(=O)C(F)(F)F 1458a_100015355933_100000740836 [0,2,0,0,0,0|2,0,0]=4 14996 B10R0.5 COCCNC(=O)C(C)(C)C 1626a_100000209980_106744555173 [0,2,0,0,0,0|2,0,0]=4 14997 B10R0.5 COCCNC(=O)C(C)(C)C 240690a_100000209980_106744555173 [0,2,0,0,0,0|2,0,0]=4 14998 B10R0.5 COCCNC(=O)C(C)(C)C 527a_100000209980_106744555173 [0,2,0,0,0,0|2,0,0]=4 14999 B10R0.5 COCCNC(=O)C(C)(C)F 1626a_100000209980_100000765255 [0,2,0,0,0,0|2,0,0]=4 15000 B10R0.5 COCCNC(=O)C(C)(C)F 240690a_100000209980_100000765255 [0,2,0,0,0,0|2,0,0]=4 15001 B10R0.5 COCCNC(=O)C(C)(C)F 527a_100000209980_100000765255 [0,2,0,0,0,0|2,0,0]=4 15002 B10R0.5 COCCNC(=O)C(C)(C)O 240690a_100000209980_100000242741 [0,2,0,0,0,0|2,0,0]=4 15003 B10R0.5 COCCNC(=O)C(C)(F)F 1626a_100000209980_100000042251 [0,2,0,0,0,0|2,0,0]=4 15004 B10R0.5 COCCNC(=O)C(C)(F)F 240690a_100000209980_100000042251 [0,2,0,0,0,0|2,0,0]=4 15005 B10R0.5 COCCNC(=O)C(C)(F)F 527a_100000209980_100000042251 [0,2,0,0,0,0|2,0,0]=4 15006 B10R0.5 COCCOC(=O)C(C)(C)Br 34a_100009817195_200000210301 [0,2,0,0,0,0|2,0,0]=4 15007 B10R0.5 COCCOC(=O)C(C)(C)Br 7a_100009817195_200000210301 [0,2,0,0,0,0|2,0,0]=4 15008 B10R0.5 COCSCC(=O)C(C)(C)C 62a_100000210923_100000766300 [0,2,0,0,0,0|2,0,0]=4 15009 B10R0.5 COCSCC(=O)C(C)(C)C 62a_100000766300_100000210923 [0,2,0,0,0,0|2,0,0]=4 15010 B10R0.5 CSCCCC(=O)C(F)(F)F 1458a_100000173376_200000243211 [0,2,0,0,0,0|2,0,0]=4 15011 B10R0.5 CSCCNC(=O)C(C)(C)C 11a_100020590264_106744555173 [0,2,0,0,0,0|2,0,0]=4 15012 B10R0.5 CSCCNC(=O)C(C)(C)C 1626a_100020590264_106744555173 [0,2,0,0,0,0|2,0,0]=4 15013 B10R0.5 CSCCNC(=O)C(C)(C)C 240690a_100020590264_106744555173 [0,2,0,0,0,0|2,0,0]=4 15014 B10R0.5 CSCCNC(=O)C(C)(C)C 527a_100020590264_106744555173 [0,2,0,0,0,0|2,0,0]=4 15015 B10R0.5 CSCCNC(=O)C(C)(C)F 11a_100020590264_100000765255 [0,2,0,0,0,0|2,0,0]=4 15016 B10R0.5 CSCCNC(=O)C(C)(C)F 1626a_100020590264_100000765255 [0,2,0,0,0,0|2,0,0]=4 15017 B10R0.5 CSCCNC(=O)C(C)(C)F 240690a_100020590264_100000765255 [0,2,0,0,0,0|2,0,0]=4 15018 B10R0.5 CSCCNC(=O)C(C)(C)F 527a_100020590264_100000765255 [0,2,0,0,0,0|2,0,0]=4 15019 B10R0.5 CSCCNC(=O)C(C)(C)O 240690a_100020590264_100000242741 [0,2,0,0,0,0|2,0,0]=4 15020 B10R0.5 CSCCNC(=O)C(C)(F)F 11a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 15021 B10R0.5 CSCCNC(=O)C(C)(F)F 1626a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 15022 B10R0.5 CSCCNC(=O)C(C)(F)F 240690a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 15023 B10R0.5 CSCCNC(=O)C(C)(F)F 527a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 15024 B10R0.5 CSCOCC(=O)C(C)(C)C 34a_200011592769_100011218213 [0,2,0,0,0,0|2,0,0]=4 15025 B10R0.5 CSCSCC(=O)C(C)(C)C 62a_100000210923_100011218213 [0,2,0,0,0,0|2,0,0]=4 15026 B10R0.5 CSCSCC(=O)C(C)(C)C 62a_100011218213_100000210923 [0,2,0,0,0,0|2,0,0]=4 15027 B10R0.5 O=C(CCCCF)C(F)(F)F 1458a_100015355933_100000729493 [0,2,0,0,0,0|2,0,0]=4 15028 B10R0.5 O=C(CCCCO)C(F)(F)F 1458a_100000695505_200000243211 [0,2,0,0,0,0|2,0,0]=4 15029 B10R0.5 O=C(CCCCO)C(F)(F)F 1458a_100015355933_100000210776 [0,2,0,0,0,0|2,0,0]=4 15030 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 11a_100000102301_200015216371 [0,2,0,0,0,0|2,0,0]=4 15031 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 1626a_100000102301_200015216371 [0,2,0,0,0,0|2,0,0]=4 15032 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 240690a_100000102301_200015216371 [0,2,0,0,0,0|2,0,0]=4 15033 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 527a_100000102301_200015216371 [0,2,0,0,0,0|2,0,0]=4 15034 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|0,0,1]=3 15035 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|0,0,1]=3 15036 B10R0.86 CCCCCC(CC)N(C)C 270004a_100102631434_100011215316 [0,2,0,0,0,0|1,0,1]=4 15037 B10R0.86 CCCCCC(OC)C(C)C 34a_200011216997_200000210301 [0,2,0,0,0,0|0,0,2]=4 15038 B10R0.86 CCCCCC(OC)C(C)C 7a_200011216997_200000210301 [0,2,0,0,0,0|0,0,2]=4 15039 B10R0.86 CCCCCC(O[13CH3])C(C)C 34a_200011216997_200025704644 [0,2,0,0,0,0|0,0,2]=4 15040 B10R0.86 CCCCCC(O[13CH3])C(C)C 7a_200011216997_200025704644 [0,2,0,0,0,0|0,0,2]=4 15041 B10R0.86 CCCCCN(CC)C(C)C 2230a_100000223497_100000210202 [0,2,0,0,0,0|2,0,0]=4 15042 B10R0.86 CCCCCN(CC)C(C)C 2230a_100000223864_100000210326 [0,2,0,0,0,0|2,0,0]=4 15043 B10R0.86 CCCCCN(CC)C(C)C 269982a_100000223497_100000204670 [0,2,0,0,0,0|2,0,0]=4 15044 B10R0.86 CCCCCN(CC)C(C)C 269982a_100000223864_100000210215 [0,2,0,0,0,0|2,0,0]=4 15045 B10R0.86 CCCCCN(CF)C(C)C 269982a_100000223497_100015361967 [0,2,0,0,0,0|2,0,0]=4 15046 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,2,0,0,0,0|1,0,1]=4 15047 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,2,0,0,0,0|1,0,1]=4 15048 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,2,0,0,0,0|1,0,1]=4 15049 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,2,0,0,0,0|1,0,1]=4 15050 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|1,0,1]=4 15051 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,2,0,0,0,0|1,0,1]=4 15052 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,2,0,0,0,0|1,0,1]=4 15053 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,2,0,0,0,0|1,0,1]=4 15054 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,2,0,0,0,0|1,0,1]=4 15055 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,2,0,0,0,0|2,0,0]=4 15056 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 15057 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,0,0,1,0,0|1,0,1]=4 15058 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 15059 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 15060 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|2,0,0]=4 15061 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 15062 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [1,0,0,1,0,0|2,0,0]=4 15063 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [1,0,0,1,0,0|2,0,0]=4 15064 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [1,0,0,1,0,0|2,0,0]=4 15065 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [1,0,0,1,0,0|2,0,0]=4 15066 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [1,0,0,1,0,0|2,0,0]=4 15067 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 15068 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,1]=4 15069 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 15070 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,1]=4 15071 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,1]=4 15072 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,0,0,1,0,0|2,0,0]=4 15073 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 15074 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,1,0,0|2,0,0]=4 15075 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 15076 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,1,0,0|2,0,0]=4 15077 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 15078 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,0,0,1,0,0|2,0,0]=4 15079 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 15080 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,0,0,1,0,0|2,0,0]=4 15081 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,0,0,1,0,0|2,0,0]=4 15082 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,0,1]=4 15083 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 15084 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,1]=4 15085 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 15086 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|2,0,0]=4 15087 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 15088 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,1,0,0|2,0,0]=4 15089 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 15090 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,1]=4 15091 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,1]=4 15092 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,1,0,0|2,0,0]=4 15093 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,1,0,0|2,0,0]=4 15094 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 15095 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 15096 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 15097 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 15098 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 15099 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 15100 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,0,1]=4 15101 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 15102 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 15103 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|2,0,0]=4 15104 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 15105 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 15106 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,1]=4 15107 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,1]=4 15108 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,1,0,0|2,0,0]=4 15109 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,1,0,0|2,0,0]=4 15110 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 15111 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 15112 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 15113 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 15114 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 15115 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 15116 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,1,0,0|1,0,1]=4 15117 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,1,0,0|1,0,1]=4 15118 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,1,0,0|1,0,1]=4 15119 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 15120 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 15121 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,0,0,1,0,0|1,0,1]=4 15122 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,1,0,0|1,0,0]=3 15123 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,1,0,0|1,0,0]=3 15124 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,1,0,0|1,0,0]=3 15125 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,1,0,0|1,0,0]=3 15126 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,1,0,0|2,0,0]=4 15127 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,1,0,0|2,0,0]=4 15128 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,1,0,0|2,0,0]=4 15129 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,1,0,0|2,0,0]=4 15130 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 15131 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 15132 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,0]=3 15133 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,0]=3 15134 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,0]=3 15135 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|2,0,0]=4 15136 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|2,0,0]=4 15137 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,1,0,0|2,0,0]=4 15138 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|2,0,0]=4 15139 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,1,0,0|1,0,0]=3 15140 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,1,0,0|1,0,0]=3 15141 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,1,0,0|2,0,0]=4 15142 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 15143 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 15144 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,1]=4 15145 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 15146 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,1]=4 15147 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 15148 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 15149 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 15150 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 15151 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|2,0,0]=4 15152 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 15153 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,0,1]=4 15154 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 15155 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,1]=4 15156 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 15157 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|2,0,0]=4 15158 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|2,0,0]=4 15159 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|2,0,0]=4 15160 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,1]=4 15161 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,1]=4 15162 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|2,0,0]=4 15163 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|2,0,0]=4 15164 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [1,0,0,1,0,0|2,0,0]=4 15165 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 15166 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 15167 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [1,0,0,1,0,0|2,0,0]=4 15168 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [1,0,0,1,0,0|2,0,0]=4 15169 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 15170 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 15171 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 15172 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 15173 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,0,1]=4 15174 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 15175 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 15176 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|2,0,0]=4 15177 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|2,0,0]=4 15178 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,1]=4 15179 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,1]=4 15180 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|2,0,0]=4 15181 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|2,0,0]=4 15182 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 15183 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 15184 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,0]=3 15185 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,0]=3 15186 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [1,0,0,1,0,0|1,0,1]=4 15187 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|1,0,1]=4 15188 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|1,0,1]=4 15189 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|1,0,1]=4 15190 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|1,0,1]=4 15191 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|1,0,1]=4 15192 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|1,0,1]=4 15193 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|1,0,1]=4 15194 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|1,0,0]=3 15195 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|1,0,0]=3 15196 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|1,0,0]=3 15197 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|1,0,0]=3 15198 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,1,0,0|2,0,0]=4 15199 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 15200 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|2,0,0]=4 15201 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 15202 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,1,0,0|2,0,0]=4 15203 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,1,0,0|2,0,0]=4 15204 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,0]=3 15205 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,0]=3 15206 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,1,0,0|2,0,0]=4 15207 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,1,0,0|2,0,0]=4 15208 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,1,0,0|2,0,0]=4 15209 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|2,0,0]=4 15210 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|2,0,0]=4 15211 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [1,0,0,1,0,0|2,0,0]=4 15212 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|1,0,0]=3 15213 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|1,0,0]=3 15214 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,1,0,0|2,0,0]=4 15215 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,1,0,0|2,0,0]=4 15216 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|2,0,0]=4 15217 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|2,0,0]=4 15218 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [1,0,0,1,0,0|2,0,0]=4 15219 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,1,0,0|2,0,0]=4 15220 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [1,0,0,1,0,0|2,0,0]=4 15221 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [1,0,0,1,0,0|2,0,0]=4 15222 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 15223 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 15224 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 15225 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 15226 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 15227 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 15228 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 15229 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 15230 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,1,0,0|1,0,0]=3 15231 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,1,0,0|1,0,0]=3 15232 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,1,0,0|1,0,0]=3 15233 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,1,0,0|1,0,0]=3 15234 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,1,0,0|1,0,0]=3 15235 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [1,0,0,1,0,0|2,0,0]=4 15236 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [1,0,0,1,0,0|2,0,0]=4 15237 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [1,0,0,1,0,0|2,0,0]=4 15238 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,1]=4 15239 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,0,0,1,0,0|2,0,0]=4 15240 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 15241 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 15242 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 15243 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 15244 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [1,0,0,1,0,0|2,0,0]=4 15245 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|1,0,1]=4 15246 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|1,0,1]=4 15247 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 15248 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 15249 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 15250 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 15251 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 15252 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 15253 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 15254 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 15255 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 15256 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 15257 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 15258 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 15259 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|1,0,1]=4 15260 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|1,0,1]=4 15261 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|1,0,1]=4 15262 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|1,0,1]=4 15263 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|1,0,1]=4 15264 B8R1.36 CCC=NNC1CC1 4a_100000701032_100000210100 [1,0,0,1,0,0|2,0,0]=4 15265 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,1]=4 15266 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,1]=4 15267 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,0,1]=4 15268 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 15269 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|1,0,1]=4 15270 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 15271 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|1,0,1]=4 15272 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|1,0,1]=4 15273 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|1,0,1]=4 15274 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|1,0,1]=4 15275 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,0]=3 15276 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,0]=3 15277 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|2,0,0]=4 15278 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,0]=3 15279 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,0]=3 15280 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,0]=3 15281 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|2,0,0]=4 15282 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|2,0,0]=4 15283 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [1,0,0,1,0,0|2,0,0]=4 15284 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|1,0,0]=3 15285 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|1,0,0]=3 15286 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|2,0,0]=4 15287 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|2,0,0]=4 15288 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [1,0,0,1,0,0|2,0,0]=4 15289 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 15290 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 15291 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [1,0,0,1,0,0|2,0,0]=4 15292 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [1,0,0,1,0,0|2,0,0]=4 15293 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 15294 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [1,0,0,1,0,0|2,0,0]=4 15295 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 15296 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 15297 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 15298 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,0]=3 15299 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 15300 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 15301 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,0]=3 15302 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 15303 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 15304 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 15305 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 15306 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 15307 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 15308 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 15309 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 15310 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 15311 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 15312 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 15313 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 15314 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 15315 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [1,0,0,1,0,0|2,0,0]=4 15316 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [1,0,0,1,0,0|2,0,0]=4 15317 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [1,0,0,1,0,0|2,0,0]=4 15318 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [1,0,0,1,0,0|2,0,0]=4 15319 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,0,0,1,0,0|0,0,2]=4 15320 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|0,0,2]=4 15321 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|0,0,0]=2 15322 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|0,0,0]=2 15323 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,0,0]=3 15324 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|1,0,0]=3 15325 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|1,0,0]=3 15326 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 15327 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 15328 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 15329 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [1,0,0,1,0,0|2,0,0]=4 15330 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [1,0,0,1,0,0|2,0,0]=4 15331 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [1,0,0,1,0,0|2,0,0]=4 15332 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [1,0,0,1,0,0|2,0,0]=4 15333 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [1,0,0,1,0,0|2,0,0]=4 15334 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [1,0,0,1,0,0|2,0,0]=4 15335 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [1,0,0,1,0,0|2,0,0]=4 15336 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [1,0,0,1,0,0|2,0,0]=4 15337 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,0]=3 15338 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 15339 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 15340 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 15341 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [1,0,0,1,0,0|2,0,0]=4 15342 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 15343 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 15344 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 15345 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|2,0,0]=4 15346 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 15347 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 15348 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 15349 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 15350 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 15351 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|1,0,0]=3 15352 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [1,0,0,1,0,0|2,0,0]=4 15353 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [1,0,0,1,0,0|2,0,0]=4 15354 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|1,0,0]=3 15355 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [1,0,0,1,0,0|2,0,0]=4 15356 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [1,0,0,1,0,0|2,0,0]=4 15357 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [1,0,0,1,0,0|2,0,0]=4 15358 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|0,0,2]=4 15359 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|0,0,2]=4 15360 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,0]=2 15361 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,0]=2 15362 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,0]=3 15363 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,0]=3 15364 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,0]=3 15365 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 15366 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 15367 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 15368 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [1,0,0,1,0,0|2,0,0]=4 15369 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [1,0,0,1,0,0|2,0,0]=4 15370 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [1,0,0,1,0,0|2,0,0]=4 15371 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [1,0,0,1,0,0|2,0,0]=4 15372 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,0]=3 15373 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 15374 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 15375 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 15376 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 15377 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 15378 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 15379 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 15380 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 15381 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|1,0,0]=3 15382 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|1,0,0]=3 15383 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|2,0,0]=4 15384 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|2,0,0]=4 15385 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|2,0,0]=4 15386 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 15387 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 15388 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [1,0,0,1,0,0|2,0,0]=4 15389 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [1,0,0,1,0,0|2,0,0]=4 15390 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|1,0,0]=3 15391 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,0]=2 15392 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,0]=3 15393 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,0]=3 15394 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 15395 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 15396 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [1,0,0,1,0,0|2,0,0]=4 15397 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 15398 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 15399 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|2,0,0]=4 15400 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|2,0,0]=4 15401 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [1,0,0,1,0,0|2,0,0]=4 15402 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 15403 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 15404 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15405 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15406 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15407 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15408 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15409 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15410 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 15411 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 15412 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 15413 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 15414 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 15415 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 15416 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [1,0,0,1,0,0|2,0,0]=4 15417 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [1,0,0,1,0,0|2,0,0]=4 15418 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [1,0,0,1,0,0|2,0,0]=4 15419 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|1,0,0]=3 15420 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 15421 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 15422 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|1,0,0]=3 15423 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|1,0,0]=3 15424 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|1,0,0]=3 15425 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [1,0,0,1,0,0|2,0,0]=4 15426 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|1,0,0]=3 15427 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|1,0,0]=3 15428 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|1,0,0]=3 15429 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|0,0,2]=4 15430 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|0,0,2]=4 15431 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,0]=2 15432 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,0]=2 15433 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,0]=3 15434 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|1,0,0]=3 15435 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|1,0,0]=3 15436 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,0]=3 15437 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,0]=3 15438 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 15439 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 15440 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|2,0,0]=4 15441 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,0]=3 15442 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15443 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 15444 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15445 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 15446 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,1,0,0|2,0,0]=4 15447 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15448 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15449 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15450 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15451 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|0,0,2]=4 15452 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|0,0,2]=4 15453 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,0]=2 15454 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,0]=3 15455 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|1,0,0]=3 15456 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,0]=3 15457 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|2,0,0]=4 15458 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|2,0,0]=4 15459 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 15460 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 15461 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 15462 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|2,0,0]=4 15463 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|1,0,1]=4 15464 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 15465 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 15466 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,0]=3 15467 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|2,0,0]=4 15468 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|2,0,0]=4 15469 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [1,0,0,1,0,0|2,0,0]=4 15470 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|0,0,2]=4 15471 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,0]=2 15472 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,0]=2 15473 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,0]=3 15474 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|1,0,0]=3 15475 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|1,0,0]=3 15476 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 15477 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 15478 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 15479 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,0]=3 15480 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 15481 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 15482 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 15483 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|2,0,0]=4 15484 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 15485 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 15486 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 15487 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|2,0,0]=4 15488 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 15489 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15490 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 15491 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15492 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15493 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15494 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15495 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15496 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 15497 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|2,0,0]=4 15498 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|0,0,2]=4 15499 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,0]=2 15500 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|1,0,0]=3 15501 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [1,0,0,1,0,0|2,0,0]=4 15502 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [1,0,0,1,0,0|2,0,0]=4 15503 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [1,0,0,1,0,0|2,0,0]=4 15504 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|0,0,2]=4 15505 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,0]=2 15506 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,0]=2 15507 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,0]=3 15508 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|1,0,0]=3 15509 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 15510 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 15511 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 15512 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,0]=3 15513 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [1,0,0,1,0,0|2,0,0]=4 15514 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 15515 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 15516 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 15517 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 15518 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|2,0,0]=4 15519 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|2,0,0]=4 15520 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|2,0,0]=4 15521 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|0,0,2]=4 15522 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,0]=2 15523 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [1,0,0,1,0,0|1,0,1]=4 15524 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,0]=2 15525 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,0]=2 15526 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [1,0,0,1,0,0|1,0,1]=4 15527 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,1,0,1,0,0|1,0,1]=4 15528 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,1,0,1,0,0|1,0,1]=4 15529 B10R1.13 C=C1CCC(CC1)N(C)C 270004a_100102631434_100010272673 [0,1,0,1,0,0|2,0,0]=4 15530 B10R1.13 C=C1CCN(CC1)C(C)C 2230a_100000752442_100000210206 [0,1,0,1,0,0|2,0,0]=4 15531 B10R1.13 C=C1CCN(CC1)C(C)C 269982a_100000752442_100000210206 [0,1,0,1,0,0|2,0,0]=4 15532 B10R1.13 C=C1CCN(CC1)C(C)C 34a_100000752442_100000210206 [0,1,0,1,0,0|2,0,0]=4 15533 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,1,0,1,0,0|1,0,1]=4 15534 B10R1.13 CC(C)C1CCN(CC1)C 2230a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15535 B10R1.13 CC(C)C1CCN(CC1)C 269982a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15536 B10R1.13 CC(C)C1CCN(CC1)C 34a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15537 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 2230a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15538 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 269982a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15539 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 34a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15540 B10R1.13 CC(C)N1CCS(=O)CC1 2230a_100000752083_100000210206 [0,1,0,1,0,0|2,0,0]=4 15541 B10R1.13 CC(C)N1CCS(=O)CC1 269982a_100000752083_100000210206 [0,1,0,1,0,0|2,0,0]=4 15542 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [0,1,0,1,0,0|2,0,0]=4 15543 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [0,1,0,1,0,0|2,0,0]=4 15544 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [0,1,0,1,0,0|2,0,0]=4 15545 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [0,1,0,1,0,0|2,0,0]=4 15546 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [0,1,0,1,0,0|2,0,0]=4 15547 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [0,1,0,1,0,0|2,0,0]=4 15548 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,1,0,1,0,0|1,0,1]=4 15549 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,1,0,0|1,0,1]=4 15550 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|0,0,0]=2 15551 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,1,0,1,0,0|1,0,0]=3 15552 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,1,0,1,0,0|1,0,1]=4 15553 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,1,0,1,0,0|1,0,0]=3 15554 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,1,0,1,0,0|1,0,0]=3 15555 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210414 [0,1,0,1,0,0|1,0,0]=3 15556 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210414 [0,1,0,1,0,0|1,0,0]=3 15557 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210414 [0,1,0,1,0,0|1,0,0]=3 15558 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210414 [0,1,0,1,0,0|1,0,0]=3 15559 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,1,0,0|1,0,0]=3 15560 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,1,0,0|1,0,0]=3 15561 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,1,0,0|1,0,0]=3 15562 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,1,0,0|1,0,1]=4 15563 B10R1.14 CCC(C)N1CNC(=O)C1 2230a_200000708111_100000758301 [0,1,0,1,0,0|2,0,0]=4 15564 B10R1.14 CN1CCC(C1)C(=O)CF 1458a_100000739633_100015361967 [0,1,0,1,0,0|2,0,0]=4 15565 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|1,0,0]=3 15566 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|1,0,0]=3 15567 B10R1.14 CNC(=O)C1CCN(C1)C 2230a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 15568 B10R1.14 CNC(=O)C1CCN(C1)C 240690a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 15569 B10R1.14 CNC(=O)C1CCN(C1)C 269982a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 15570 B10R1.14 CNC(=O)C1CCN(C1)C 34a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 15571 B10R1.14 CNC(=O)C1CCN(C1)C 527a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 15572 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 2230a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 15573 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 269982a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 15574 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 34a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 15575 B10R1.14 CNC(=O)N1CCC(C1)O 2708a_100102657272_100011215560 [0,1,0,1,0,0|2,0,0]=4 15576 B10R1.14 CNC(=O)N1CCC(C1)O 273464a_100102657272_100011215560 [0,1,0,1,0,0|2,0,0]=4 15577 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 2708a_100102657272_100015203821 [0,1,0,1,0,0|2,0,0]=4 15578 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 273464a_100102657272_100015203821 [0,1,0,1,0,0|2,0,0]=4 15579 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 15580 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 15581 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,1,0,0|2,0,0]=4 15582 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,1,0,0|2,0,0]=4 15583 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,1,0,0|2,0,0]=4 15584 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,1,0,0|2,0,0]=4 15585 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 15586 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 15587 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|1,0,0]=3 15588 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 15589 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 15590 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,1,0,1,0,0|2,0,0]=4 15591 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,1,0,1,0,0|2,0,0]=4 15592 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,1,0,0|1,0,1]=4 15593 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,1,0,0|1,0,1]=4 15594 B10R1.54 CC(C)CN1CNC(=O)C1 2230a_200000708111_100000210760 [0,1,0,1,0,0|2,0,0]=4 15595 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,1,0,1,0,0|2,0,0]=4 15596 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,1,0,1,0,0|1,0,0]=3 15597 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [0,1,0,1,0,0|2,0,0]=4 15598 B10R1.54 CC(O)CN1CNC(=O)C1 2230a_200000708111_100011218427 [0,1,0,1,0,0|2,0,0]=4 15599 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,1,0,1,0,0|2,0,0]=4 15600 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,1,0,1,0,0|2,0,0]=4 15601 B10R1.54 C[C@@H](O)CN1CNC(=O)C1 2230a_200000708111_100009817552 [0,1,0,1,0,0|2,0,0]=4 15602 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,1,0,0|1,0,1]=4 15603 B10R1.117 C=C(C)COC1CCC1=O 34a_100000210245_100009892977 [0,1,0,1,0,0|1,0,1]=4 15604 B10R1.117 C=C(C)CSC1CCC1=O 62a_100000748629_100009892977 [0,1,0,1,0,0|1,0,1]=4 15605 B10R1.117 C=C(C)CSC1CCC1=O 62a_100009892977_100000211660 [0,1,0,1,0,0|1,0,1]=4 15606 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|0,0,1]=3 15607 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,1,0,1,0,0|1,0,1]=4 15608 B10R1.117 CC(Br)COC1CCC1=O 34a_100012180447_100009892977 [0,1,0,1,0,0|1,0,0]=3 15609 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,1,0,0|1,0,0]=3 15610 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,1,0,0|1,0,0]=3 15611 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,1,0,0|1,0,0]=3 15612 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,1,0,0|1,0,0]=3 15613 B10R1.117 CC(F)COC1CCC1=O 34a_100015925927_100009892977 [0,1,0,1,0,0|1,0,0]=3 15614 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|1,0,0]=3 15615 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,1,0,1,0,0|1,0,0]=3 15616 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,1,0,1,0,0|1,0,0]=3 15617 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,1,0,0|1,0,0]=3 15618 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,1,0,0|1,0,0]=3 15619 B10R1.117 C[C@@H](Cl)COC1CCC1=O 34a_100016084084_100009892977 [0,1,0,1,0,0|1,0,0]=3 15620 B10R1.117 C[C@@H](N)COC1CCC1=O 34a_100000737577_100009892977 [0,1,0,1,0,0|1,0,0]=3 15621 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,1,0,1,0,0|1,0,0]=3 15622 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,1,0,1,0,0|1,0,0]=3 15623 B10R1.117 O=C1CCC1NCC(F)F 34a_100000765723_100009892977 [0,1,0,1,0,0|2,0,0]=4 15624 B10R1.117 O=C1CCC1OCC(F)F 34a_100000743014_100009892977 [0,1,0,1,0,0|2,0,0]=4 15625 B10R1.117 O=C1CCC1SCC(F)F 62a_100009892977_100011934356 [0,1,0,1,0,0|2,0,0]=4 15626 B10R1.117 O=C1CCC1SCC(F)F 62a_100011934356_100009892977 [0,1,0,1,0,0|2,0,0]=4 15627 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [0,1,0,1,0,0|2,0,0]=4 15628 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,1,0,1,0,0|2,0,0]=4 15629 B10R1.150 C=C1CC(C1)NC(=O)CC 11a_100132301982_100000210414 [0,1,0,1,0,0|1,0,1]=4 15630 B10R1.150 C=C1CC(C1)NC(=O)CC 1626a_100132301982_100000210414 [0,1,0,1,0,0|1,0,1]=4 15631 B10R1.150 C=C1CC(C1)NC(=O)CC 527a_100132301982_100000210414 [0,1,0,1,0,0|1,0,1]=4 15632 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,1,0,1,0,0|0,0,1]=3 15633 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [0,1,0,1,0,0|1,0,0]=3 15634 B10R1.150 CCC(=O)CN1CC(C1)F 269982a_100000690557_100000747405 [0,1,0,1,0,0|1,0,0]=3 15635 B10R1.150 CCC(=O)CN1CC(C1)O 269982a_100000749847_100000747405 [0,1,0,1,0,0|1,0,0]=3 15636 B10R1.150 CCC(=O)NC1CC(C1)F 11a_100016993743_100000210414 [0,1,0,1,0,0|1,0,0]=3 15637 B10R1.150 CCC(=O)NC1CC(C1)F 1626a_100016993743_100000210414 [0,1,0,1,0,0|1,0,0]=3 15638 B10R1.150 CCC(=O)NC1CC(C1)F 240690a_100016993743_100000210414 [0,1,0,1,0,0|1,0,0]=3 15639 B10R1.150 CCC(=O)NC1CC(C1)F 527a_100016993743_100000210414 [0,1,0,1,0,0|1,0,0]=3 15640 B10R1.150 CCC(=O)NC1CN(C1)C 240690a_100015196640_100000210414 [0,1,0,1,0,0|2,0,0]=4 15641 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210414 [0,1,0,1,0,0|1,0,0]=3 15642 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210414 [0,1,0,1,0,0|1,0,0]=3 15643 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210414 [0,1,0,1,0,0|1,0,0]=3 15644 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210414 [0,1,0,1,0,0|1,0,0]=3 15645 B10R1.150 CNC(=O)CN1CC(C1)C 2230a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 15646 B10R1.150 CNC(=O)CN1CC(C1)C 269982a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 15647 B10R1.150 CNC(=O)CN1CC(C1)C 34a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 15648 B10R1.150 CNC(=O)CN1CC(C1)F 2230a_100000690557_100000183359 [0,1,0,1,0,0|2,0,0]=4 15649 B10R1.150 CNC(=O)CN1CC(C1)F 269982a_100000690557_100000183359 [0,1,0,1,0,0|2,0,0]=4 15650 B10R1.150 CNC(=O)CN1CC(C1)F 34a_100000690557_100000183359 [0,1,0,1,0,0|2,0,0]=4 15651 B10R1.150 CNC(=O)CN1CC(C1)O 269982a_100000749847_100000183359 [0,1,0,1,0,0|2,0,0]=4 15652 B10R1.150 CNC(=O)NC1CC(C1)F 2708a_100016993743_106832991635 [0,1,0,1,0,0|2,0,0]=4 15653 B10R1.150 CNC(=O)NC1CC(C1)F 2708a_100102657272_100016993743 [0,1,0,1,0,0|2,0,0]=4 15654 B10R1.150 CNC(=O)NC1CC(C1)F 273464a_100016993743_100102657272 [0,1,0,1,0,0|2,0,0]=4 15655 B10R1.150 CNC(=O)NC1CC(C1)F 273464a_100102657272_100016993743 [0,1,0,1,0,0|2,0,0]=4 15656 B10R1.150 CNC(=O)NC1CC(C1)F 512a_100016993743_100102657272 [0,1,0,1,0,0|2,0,0]=4 15657 B10R1.150 CNC(=O)NC1CC(C1)F 512a_106832991638_100016993743 [0,1,0,1,0,0|2,0,0]=4 15658 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100102657272_100020629032 [0,1,0,1,0,0|2,0,0]=4 15659 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100102657272 [0,1,0,1,0,0|2,0,0]=4 15660 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100102657272_100020629032 [0,1,0,1,0,0|2,0,0]=4 15661 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100102657272 [0,1,0,1,0,0|2,0,0]=4 15662 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 512a_106832991638_100020629032 [0,1,0,1,0,0|2,0,0]=4 15663 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [0,1,0,1,0,0|2,0,0]=4 15664 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [0,1,0,1,0,0|2,0,0]=4 15665 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 15666 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 15667 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 15668 B10R1.150 COC(=O)CN1CC(C1)F 2230a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 15669 B10R1.150 COC(=O)CN1CC(C1)F 269982a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 15670 B10R1.150 COC(=O)CN1CC(C1)F 34a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 15671 B10R1.150 COC(=O)CN1CC(C1)O 269982a_100000749847_100000747449 [0,1,0,1,0,0|2,0,0]=4 15672 B10R1.150 O=C(CO)CC1CC(=O)C1 1458a_100000210174_100009874392 [0,1,0,1,0,0|1,0,1]=4 15673 B10R1.150 O=C(CO)NC1CC(C1)F 240690a_100016993743_100000210174 [0,1,0,1,0,0|2,0,0]=4 15674 B10R1.150 O=C(CO)NC1CC(C1)F 527a_100016993743_100000210174 [0,1,0,1,0,0|2,0,0]=4 15675 B10R1.150 O=C(CO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210174 [0,1,0,1,0,0|2,0,0]=4 15676 B10R1.150 O=C(CO)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210174 [0,1,0,1,0,0|2,0,0]=4 15677 B10R1.153 C#CC(=O)CCCC1CO1 1458a_100000211873_100000733510 [0,1,0,1,0,0|0,0,2]=4 15678 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,1,0,1,0,0|0,0,2]=4 15679 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,1,0,1,0,0|0,0,2]=4 15680 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,1,0,1,0,0|0,0,2]=4 15681 B10R1.153 CCC(=O)CC#CC1CC1 1458a_100000210414_100009895102 [0,1,0,1,0,0|0,0,1]=3 15682 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|0,0,0]=2 15683 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|0,0,0]=2 15684 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,1,0,1,0,0|1,0,0]=3 15685 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|0,0,0]=2 15686 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|0,0,0]=2 15687 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|0,0,0]=2 15688 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [0,1,0,1,0,0|1,0,0]=3 15689 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [0,1,0,1,0,0|1,0,0]=3 15690 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [0,1,0,1,0,0|1,0,0]=3 15691 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [0,1,0,1,0,0|1,0,0]=3 15692 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [0,1,0,1,0,0|1,0,0]=3 15693 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [0,1,0,1,0,0|1,0,0]=3 15694 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|0,0,0]=2 15695 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|0,0,0]=2 15696 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|0,0,0]=2 15697 B10R1.153 CCC(=O)NN=CC1CC1 4a_100000183195_100000741477 [0,1,0,1,0,0|1,0,1]=4 15698 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [0,1,0,1,0,0|1,0,0]=3 15699 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [0,1,0,1,0,0|1,0,1]=4 15700 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [0,1,0,1,0,0|1,0,1]=4 15701 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [0,1,0,1,0,0|1,0,1]=4 15702 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [0,1,0,1,0,0|1,0,1]=4 15703 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [0,1,0,1,0,0|1,0,1]=4 15704 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [0,1,0,1,0,0|1,0,1]=4 15705 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [0,1,0,1,0,0|1,0,1]=4 15706 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [0,1,0,1,0,0|1,0,1]=4 15707 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [0,1,0,1,0,0|1,0,1]=4 15708 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [0,1,0,1,0,0|1,0,1]=4 15709 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,1,0,1,0,0|1,0,1]=4 15710 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,1,0,1,0,0|1,0,1]=4 15711 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,1,0,1,0,0|1,0,1]=4 15712 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [0,1,0,1,0,0|1,0,1]=4 15713 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [0,1,0,1,0,0|1,0,1]=4 15714 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [0,1,0,1,0,0|0,0,2]=4 15715 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [0,1,0,1,0,0|0,0,2]=4 15716 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [0,1,0,1,0,0|0,0,2]=4 15717 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [0,1,0,1,0,0|0,0,2]=4 15718 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [0,1,0,1,0,0|0,0,2]=4 15719 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [0,1,0,1,0,0|0,0,2]=4 15720 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [0,1,0,1,0,0|0,0,2]=4 15721 B10R1.153 CCN(C)CCCC1CO1 2230a_100000225621_100000733510 [0,1,0,1,0,0|2,0,0]=4 15722 B10R1.153 CCN(C)CCCC1CO1 269982a_100000225621_100000733510 [0,1,0,1,0,0|2,0,0]=4 15723 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [0,1,0,1,0,0|1,0,1]=4 15724 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [0,1,0,1,0,0|1,0,1]=4 15725 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [0,1,0,1,0,0|1,0,1]=4 15726 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [0,1,0,1,0,0|1,0,1]=4 15727 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [0,1,0,1,0,0|1,0,1]=4 15728 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [0,1,0,1,0,0|1,0,1]=4 15729 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,1,0,1,0,0|1,0,0]=3 15730 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,1,0,1,0,0|1,0,0]=3 15731 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,1,0,1,0,0|1,0,0]=3 15732 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,1,0,1,0,0|1,0,0]=3 15733 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|1,0,0]=3 15734 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|1,0,0]=3 15735 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|1,0,0]=3 15736 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|1,0,0]=3 15737 B10R1.153 CNC(=O)CNCC1CO1 2230a_100000693194_100011216344 [0,1,0,1,0,0|2,0,0]=4 15738 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|1,0,0]=3 15739 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|1,0,0]=3 15740 B10R1.153 CNC(=O)COCC1CO1 34a_100000750040_102125554688 [0,1,0,1,0,0|2,0,0]=4 15741 B10R1.153 CNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183359 [0,1,0,1,0,0|2,0,0]=4 15742 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|1,0,0]=3 15743 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 15744 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 15745 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 15746 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|1,0,0]=3 15747 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|1,0,0]=3 15748 B10R1.153 CNC(=O)CSCC1CO1 62a_100000183359_102125554688 [0,1,0,1,0,0|2,0,0]=4 15749 B10R1.153 CNC(=O)CSCC1CO1 62a_102125554688_100000183359 [0,1,0,1,0,0|2,0,0]=4 15750 B10R1.153 CNC(=O)CSCC1CS1 62a_100000031435_100000183359 [0,1,0,1,0,0|2,0,0]=4 15751 B10R1.153 CNC(=O)CSCC1CS1 62a_100000183359_100000031435 [0,1,0,1,0,0|2,0,0]=4 15752 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000183359_100000745022 [0,1,0,1,0,0|2,0,0]=4 15753 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183359 [0,1,0,1,0,0|2,0,0]=4 15754 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|1,0,0]=3 15755 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|1,0,0]=3 15756 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|1,0,0]=3 15757 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|1,0,0]=3 15758 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|1,0,0]=3 15759 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|1,0,0]=3 15760 B10R1.153 CNC(=O)NNCC1CC1 273464a_100102657272_100000736359 [0,1,0,1,0,0|2,0,0]=4 15761 B10R1.153 CNC(=O)NNCC1CC1 512a_100000736359_100102657272 [0,1,0,1,0,0|2,0,0]=4 15762 B10R1.153 CNC(=O)NNCC1CC1 512a_106832991638_100000736359 [0,1,0,1,0,0|2,0,0]=4 15763 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|1,0,0]=3 15764 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|1,0,0]=3 15765 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 15766 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 15767 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|1,0,0]=3 15768 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|2,0,0]=4 15769 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|1,0,0]=3 15770 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|1,0,0]=3 15771 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|2,0,0]=4 15772 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|2,0,0]=4 15773 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|2,0,0]=4 15774 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|2,0,0]=4 15775 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|2,0,0]=4 15776 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|2,0,0]=4 15777 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,1,0,1,0,0|1,0,0]=3 15778 B10R1.153 O=C(CO)CC#CC1CC1 1458a_100000210174_100009895102 [0,1,0,1,0,0|1,0,1]=4 15779 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,0]=3 15780 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 15781 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 15782 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,1,0,1,0,0|2,0,0]=4 15783 B10R1.168 CCN1CC(C1)CC(C)C 2230a_214813039686_100000210202 [0,1,0,1,0,0|2,0,0]=4 15784 B10R1.168 CCN1CC(C1)CC(C)C 269982a_214813039686_100000204670 [0,1,0,1,0,0|2,0,0]=4 15785 B10R1.168 CCN1CC(C1)CC(C)C 34a_214813039686_100000210202 [0,1,0,1,0,0|2,0,0]=4 15786 B10R1.171 CCN1CCCC(C1)(C)C 2230a_100000716857_100000210202 [0,1,0,1,0,0|2,0,0]=4 15787 B10R1.171 CCN1CCCC(C1)(C)C 269982a_100000716857_100000204670 [0,1,0,1,0,0|2,0,0]=4 15788 B10R1.171 CCN1CCCC(C1)(C)C 34a_100000716857_100000210202 [0,1,0,1,0,0|2,0,0]=4 15789 B10R1.171 CCN1CCCC(C1)(C)O 2230a_100000695535_100000210202 [0,1,0,1,0,0|2,0,0]=4 15790 B10R1.171 CCN1CCCC(C1)(C)O 269982a_100000695535_100000204670 [0,1,0,1,0,0|2,0,0]=4 15791 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,1,0,1,0,0|1,0,1]=4 15792 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,1,0,1,0,0|1,0,1]=4 15793 B10R1.197 CC1CCCN(CC1)CF 269982a_100025706717_100015361967 [0,1,0,1,0,0|2,0,0]=4 15794 B10R1.197 CC1CCCN(CC1)CF 34a_100025706717_100015361967 [0,1,0,1,0,0|2,0,0]=4 15795 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 15796 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 15797 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 15798 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 15799 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 15800 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 15801 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,1,0,1,0,0|1,0,1]=4 15802 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,1,0,1,0,0|1,0,1]=4 15803 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,1,0,1,0,0|1,0,1]=4 15804 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [0,1,0,1,0,0|0,0,2]=4 15805 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [0,1,0,1,0,0|0,0,2]=4 15806 B10R1.197 CCN1CCCN(CC1)C 2230a_100000211313_100000210202 [0,1,0,1,0,0|2,0,0]=4 15807 B10R1.197 CCN1CCCN(CC1)C 2230a_100000748291_200000210301 [0,1,0,1,0,0|2,0,0]=4 15808 B10R1.197 CCN1CCCN(CC1)C 269982a_100000211313_100000204670 [0,1,0,1,0,0|2,0,0]=4 15809 B10R1.197 CCN1CCCN(CC1)C 269982a_100000748291_200000210301 [0,1,0,1,0,0|2,0,0]=4 15810 B10R1.197 CCN1CCCN(CC1)[13CH3] 2230a_100000748291_200025704644 [0,1,0,1,0,0|2,0,0]=4 15811 B10R1.197 CCN1CCCN(CC1)[13CH3] 269982a_100000748291_200025704644 [0,1,0,1,0,0|2,0,0]=4 15812 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,1,0,0|1,0,0]=3 15813 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,1,0,0|1,0,0]=3 15814 B10R1.197 COC1CCCN(CC1)C 2230a_100016993962_200000210301 [0,1,0,1,0,0|2,0,0]=4 15815 B10R1.197 COC1CCCN(CC1)C 269982a_100016993962_200000210301 [0,1,0,1,0,0|2,0,0]=4 15816 B10R1.197 COC1CCCN(CC1)C 34a_100016993962_200000210301 [0,1,0,1,0,0|2,0,0]=4 15817 B10R1.197 COC1CCCN(CC1)[13CH3] 2230a_100016993962_200025704644 [0,1,0,1,0,0|2,0,0]=4 15818 B10R1.197 COC1CCCN(CC1)[13CH3] 269982a_100016993962_200025704644 [0,1,0,1,0,0|2,0,0]=4 15819 B10R1.197 COC1CCCN(CC1)[13CH3] 34a_100016993962_200025704644 [0,1,0,1,0,0|2,0,0]=4 15820 B10R1.197 O=C1CCN(CCN1)CF 269982a_100000698595_100015361967 [0,1,0,1,0,0|2,0,0]=4 15821 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,1,0,1,0,0|1,0,1]=4 15822 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,1,0,1,0,0|1,0,1]=4 15823 B10R1.206 CNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183359 [0,1,0,1,0,0|2,0,0]=4 15824 B10R1.206 CNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183359 [0,1,0,1,0,0|2,0,0]=4 15825 B10R1.206 CNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183359 [0,1,0,1,0,0|2,0,0]=4 15826 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,1,0,1,0,0|2,0,0]=4 15827 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 15828 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 15829 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15830 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15831 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15832 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15833 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15834 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15835 B10R1.302 CC1(CCCN(CC1)[13CH3])O 2230a_100000723723_200025704644 [0,1,0,1,0,0|2,0,0]=4 15836 B10R1.302 CC1(CCCN(CC1)[13CH3])O 269982a_100000723723_200025704644 [0,1,0,1,0,0|2,0,0]=4 15837 B10R1.302 CC1(CCCN(CC1)[13CH3])O 34a_100000723723_200025704644 [0,1,0,1,0,0|2,0,0]=4 15838 B10R1.302 CN1CCCC(CC1)(C)O 2230a_100000723723_200000210301 [0,1,0,1,0,0|2,0,0]=4 15839 B10R1.302 CN1CCCC(CC1)(C)O 269982a_100000723723_200000210301 [0,1,0,1,0,0|2,0,0]=4 15840 B10R1.302 CN1CCCC(CC1)(C)O 34a_100000723723_200000210301 [0,1,0,1,0,0|2,0,0]=4 15841 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,1,0,1,0,0|1,0,1]=4 15842 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,1,0,1,0,0|1,0,1]=4 15843 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,1,0,1,0,0|2,0,0]=4 15844 B10R1.428 CCC(=O)CC1CC1(F)F 1458a_100000138109_100000210202 [0,1,0,1,0,0|1,0,0]=3 15845 B10R1.428 CCC(=O)CC1CC1(F)F 1458a_100000210414_100009817841 [0,1,0,1,0,0|1,0,0]=3 15846 B10R1.428 CCC(=O)NC1CC1(F)F 1626a_100020610826_100000210414 [0,1,0,1,0,0|2,0,0]=4 15847 B10R1.428 CCC(=O)NC1CC1(F)F 240690a_100020610826_100000210414 [0,1,0,1,0,0|2,0,0]=4 15848 B10R1.428 CCC(=O)NC1CC1(F)F 527a_100020610826_100000210414 [0,1,0,1,0,0|2,0,0]=4 15849 B10R1.428 CNC(=O)CC1CC1(F)F 11a_106832991635_100000138109 [0,1,0,1,0,0|2,0,0]=4 15850 B10R1.428 CNC(=O)CC1CC1(F)F 1626a_100102657272_100000138109 [0,1,0,1,0,0|2,0,0]=4 15851 B10R1.428 CNC(=O)CC1CC1(F)F 240690a_100102657272_100000138109 [0,1,0,1,0,0|2,0,0]=4 15852 B10R1.428 CNC(=O)CC1CC1(F)F 527a_100102657272_100000138109 [0,1,0,1,0,0|2,0,0]=4 15853 B10R1.428 O=C(CF)CC1CC1(F)F 1458a_100000138109_100015361967 [0,1,0,1,0,0|2,0,0]=4 15854 B10R1.428 O=C(CO)CC1CC1(F)F 1458a_100000210174_100009817841 [0,1,0,1,0,0|2,0,0]=4 15855 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [0,1,0,1,0,0|2,0,0]=4 15856 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [0,1,0,1,0,0|2,0,0]=4 15857 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [0,1,0,1,0,0|2,0,0]=4 15858 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 15859 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 15860 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 15861 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|1,0,0]=3 15862 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,0]=3 15863 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,1,0,1,0,0|1,0,1]=4 15864 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,1,0,1,0,0|1,0,1]=4 15865 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,1,0,1,0,0|1,0,1]=4 15866 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|1,0,0]=3 15867 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|1,0,0]=3 15868 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|1,0,0]=3 15869 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,1,0,0|1,0,1]=4 15870 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|1,0,0]=3 15871 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|2,0,0]=4 15872 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|1,0,0]=3 15873 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|2,0,0]=4 15874 B10R1.10 COCN1CCC[C@@H](C1)C 2230a_100000717927_100000766300 [0,1,0,1,0,0|2,0,0]=4 15875 B10R1.10 COCN1CCC[C@@H](C1)C 269982a_100000717927_100000766300 [0,1,0,1,0,0|2,0,0]=4 15876 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,1,0,1,0,0|2,0,0]=4 15877 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|2,0,0]=4 15878 B10R1.10 CSCN1CCC[C@@H](C1)C 2230a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 15879 B10R1.10 CSCN1CCC[C@@H](C1)C 269982a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 15880 B10R1.10 CSCN1CCC[C@@H](C1)C 34a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 15881 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,1,0,1,0,0|2,0,0]=4 15882 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|2,0,0]=4 15883 B10R1.10 C[C@H]1CCCN(C1)CCF 2230a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 15884 B10R1.10 C[C@H]1CCCN(C1)CCF 269982a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 15885 B10R1.10 C[C@H]1CCCN(C1)CCF 34a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 15886 B10R1.10 C[C@H]1CCCN(C1)CCO 2230a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 15887 B10R1.10 C[C@H]1CCCN(C1)CCO 269982a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 15888 B10R1.10 C[C@H]1CCCN(C1)CCO 34a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 15889 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,1,0,1,0,0|2,0,0]=4 15890 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|2,0,0]=4 15891 B10R1.10 O=C1CN(CCN1)CCF 2230a_100000184651_100011217306 [0,1,0,1,0,0|2,0,0]=4 15892 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [0,1,0,1,0,0|2,0,0]=4 15893 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,1,0,0|2,0,0]=4 15894 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,1,0,0|2,0,0]=4 15895 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,1,0,1,0,0|2,0,0]=4 15896 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|2,0,0]=4 15897 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|1,0,0]=3 15898 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|2,0,0]=4 15899 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,1,0,1,0,0|0,0,1]=3 15900 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,1,0,1,0,0|0,0,1]=3 15901 B10R1.11 C#CCC(=O)C1CCCS1 1458a_100012002731_100000184674 [0,1,0,1,0,0|1,0,1]=4 15902 B10R1.11 C#CCC(=O)C1CCOC1 1458a_100011219752_100000184674 [0,1,0,1,0,0|1,0,1]=4 15903 B10R1.11 C#CCC(=O)C1CCOC1 1458a_100011220946_100000690089 [0,1,0,1,0,0|1,0,1]=4 15904 B10R1.11 C#CCC(=O)N1CCCC1 527a_100000188435_100011220946 [0,1,0,1,0,0|1,0,1]=4 15905 B10R1.11 C#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000184674 [0,1,0,1,0,0|1,0,1]=4 15906 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,1,0,1,0,0|0,0,1]=3 15907 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,1,0,1,0,0|0,0,1]=3 15908 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,1,0,1,0,0|1,0,1]=4 15909 B10R1.11 C=CCC(=O)C1CCOC1 1458a_100000210193_100000690089 [0,1,0,1,0,0|1,0,1]=4 15910 B10R1.11 C=CCC(=O)C1CCOC1 1458a_100011219752_100000210623 [0,1,0,1,0,0|1,0,1]=4 15911 B10R1.11 C=CCC(=O)N1CCCC1 240690a_100000188435_100000210193 [0,1,0,1,0,0|1,0,1]=4 15912 B10R1.11 C=CCC(=O)N1CCCC1 527a_100000188435_100000210193 [0,1,0,1,0,0|1,0,1]=4 15913 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [0,1,0,1,0,0|1,0,1]=4 15914 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,1,0,1,0,0|0,0,1]=3 15915 B10R1.11 CC#CC(=O)C1CCOC1 1458a_100000763181_100000690089 [0,1,0,1,0,0|1,0,1]=4 15916 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,1,0,0|0,0,1]=3 15917 B10R1.11 CC=CC(=O)C1CCOC1 1458a_100000210699_100000690089 [0,1,0,1,0,0|1,0,1]=4 15918 B10R1.11 CC=CC(=O)N1CCCC1 240690a_100000188435_100000210699 [0,1,0,1,0,0|1,0,1]=4 15919 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,1,0,0|0,0,2]=4 15920 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,1,0,1,0,0|0,0,2]=4 15921 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|0,0,0]=2 15922 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|0,0,0]=2 15923 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,1,0,0|1,0,0]=3 15924 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,1,0,1,0,0|1,0,0]=3 15925 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,1,0,1,0,0|1,0,0]=3 15926 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,1,0,1,0,0|1,0,0]=3 15927 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,1,0,1,0,0|1,0,0]=3 15928 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 15929 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 15930 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 15931 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,1,0,0|1,0,0]=3 15932 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 15933 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 15934 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [0,1,0,1,0,0|2,0,0]=4 15935 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 15936 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 15937 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [0,1,0,1,0,0|2,0,0]=4 15938 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [0,1,0,1,0,0|2,0,0]=4 15939 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 15940 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 15941 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 15942 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 15943 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 15944 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,1,0,0|0,0,2]=4 15945 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,1,0,0|0,0,2]=4 15946 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,1,0,1,0,0|0,0,2]=4 15947 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,1,0,1,0,0|0,0,2]=4 15948 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,1,0,1,0,0|0,0,2]=4 15949 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|0,0,0]=2 15950 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|0,0,0]=2 15951 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|0,0,0]=2 15952 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,1,0,1,0,0|1,0,0]=3 15953 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,1,0,1,0,0|1,0,0]=3 15954 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,1,0,1,0,0|1,0,0]=3 15955 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,1,0,1,0,0|1,0,0]=3 15956 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,1,0,1,0,0|1,0,0]=3 15957 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,1,0,1,0,0|1,0,0]=3 15958 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,1,0,1,0,0|1,0,0]=3 15959 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,1,0,1,0,0|1,0,0]=3 15960 B10R1.11 CCNC(=O)N1CCSC1 2708a_100015525214_100011215254 [0,1,0,1,0,0|2,0,0]=4 15961 B10R1.11 CCNC(=O)N1CCSC1 273464a_100015525214_100011215254 [0,1,0,1,0,0|2,0,0]=4 15962 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 15963 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 15964 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 15965 B10R1.11 CCNC(C)C1CCCC1 2230a_100015185923_100000210202 [0,1,0,1,0,0|1,0,1]=4 15966 B10R1.11 CCNC(C)C1CCCC1 269862a_100015525214_100000749594 [0,1,0,1,0,0|1,0,1]=4 15967 B10R1.11 CCNC(C)C1CCCC1 270004a_100015525214_100000749594 [0,1,0,1,0,0|1,0,1]=4 15968 B10R1.11 CCNC(C)C1CCCC1 34a_100015185923_100000210202 [0,1,0,1,0,0|1,0,1]=4 15969 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [0,1,0,1,0,0|1,0,1]=4 15970 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [0,1,0,1,0,0|1,0,1]=4 15971 B10R1.11 CN(CCF)C1CCCC1 2230a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 15972 B10R1.11 CN(CCF)C1CCCC1 269982a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 15973 B10R1.11 CN(CCF)C1CCCC1 34a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 15974 B10R1.11 CN(CCO)C1CCCC1 2230a_100000207505_100000211926 [0,1,0,1,0,0|2,0,0]=4 15975 B10R1.11 CN(CCO)C1CCCC1 2230a_100000210263_100000179811 [0,1,0,1,0,0|2,0,0]=4 15976 B10R1.11 CN(CCO)C1CCCC1 269982a_100000207505_100000211926 [0,1,0,1,0,0|2,0,0]=4 15977 B10R1.11 CN(CCO)C1CCCC1 269982a_100000210263_100000179811 [0,1,0,1,0,0|2,0,0]=4 15978 B10R1.11 CN(CCO)C1CCCC1 269982a_200000200444_200000210301 [0,1,0,1,0,0|2,0,0]=4 15979 B10R1.11 CN(CCO)C1CCCC1 270004a_100000210263_100000210133 [0,1,0,1,0,0|2,0,0]=4 15980 B10R1.11 CN(CCO)C1CCCC1 34a_100000207505_100000211926 [0,1,0,1,0,0|2,0,0]=4 15981 B10R1.11 CN(CCO)C1CCCC1 34a_200000200444_200000210301 [0,1,0,1,0,0|2,0,0]=4 15982 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,1,0,1,0,0|1,0,0]=3 15983 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,1,0,1,0,0|1,0,0]=3 15984 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,1,0,1,0,0|1,0,0]=3 15985 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,1,0,1,0,0|1,0,0]=3 15986 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,1,0,1,0,0|1,0,0]=3 15987 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,1,0,1,0,0|2,0,0]=4 15988 B10R1.11 CNNC(=O)C1CCOC1 22a_100016993582_100011219752 [0,1,0,1,0,0|2,0,0]=4 15989 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,1,0,1,0,0|2,0,0]=4 15990 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|0,0,0]=2 15991 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,1,0,1,0,0|1,0,0]=3 15992 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,1,0,1,0,0|1,0,0]=3 15993 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,1,0,1,0,0|1,0,0]=3 15994 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,1,0,1,0,0|1,0,0]=3 15995 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,1,0,1,0,0|1,0,0]=3 15996 B10R1.11 COCC(=O)N1CCSC1 11a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 15997 B10R1.11 COCC(=O)N1CCSC1 240690a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 15998 B10R1.11 COCC(=O)N1CCSC1 527a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 15999 B10R1.11 COCN(C)C1CCCC1 2230a_100000207505_100000766300 [0,1,0,1,0,0|2,0,0]=4 16000 B10R1.11 COCN(C)C1CCCC1 269982a_100000207505_100000766300 [0,1,0,1,0,0|2,0,0]=4 16001 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,1,0,0|0,0,0]=2 16002 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,1,0,1,0,0|1,0,0]=3 16003 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,1,0,1,0,0|1,0,0]=3 16004 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,1,0,1,0,0|1,0,0]=3 16005 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,1,0,1,0,0|1,0,0]=3 16006 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,1,0,1,0,0|1,0,0]=3 16007 B10R1.11 CSCC(=O)N1CCSC1 11a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 16008 B10R1.11 CSCC(=O)N1CCSC1 240690a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 16009 B10R1.11 CSCC(=O)N1CCSC1 527a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 16010 B10R1.11 CSCN(C)C1CCCC1 2230a_100000207505_100011218213 [0,1,0,1,0,0|2,0,0]=4 16011 B10R1.11 CSCN(C)C1CCCC1 269982a_100000207505_100011218213 [0,1,0,1,0,0|2,0,0]=4 16012 B10R1.11 CSCN(C)C1CCCC1 34a_100000207505_100011218213 [0,1,0,1,0,0|2,0,0]=4 16013 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,1,0,1,0,0|0,0,1]=3 16014 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,1,0,1,0,0|0,0,1]=3 16015 B10R1.11 N#CCC(=O)C1CCCS1 1458a_100012002731_100011214920 [0,1,0,1,0,0|1,0,1]=4 16016 B10R1.11 N#CCC(=O)C1CCOC1 1458a_100011219752_100011214920 [0,1,0,1,0,0|1,0,1]=4 16017 B10R1.11 N#CCC(=O)C1CCOC1 1458a_100051588842_100000690089 [0,1,0,1,0,0|1,0,1]=4 16018 B10R1.11 N#CCC(=O)N1CCCC1 240690a_100000188435_100051588842 [0,1,0,1,0,0|1,0,1]=4 16019 B10R1.11 N#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011214920 [0,1,0,1,0,0|1,0,1]=4 16020 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,1,0,1,0,0|0,0,2]=4 16021 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,1,0,1,0,0|0,0,2]=4 16022 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,1,0,1,0,0|0,0,2]=4 16023 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,1,0,1,0,0|0,0,2]=4 16024 B10R1.11 O=C(CCF)C1CC=CC1 1458a_100000759439_100011217306 [0,1,0,1,0,0|0,0,2]=4 16025 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|0,0,0]=2 16026 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,1,0,1,0,0|1,0,0]=3 16027 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,1,0,1,0,0|1,0,0]=3 16028 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,1,0,1,0,0|1,0,0]=3 16029 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,1,0,1,0,0|0,0,2]=4 16030 B10R1.11 O=C(CCO)C1CC=CC1 1458a_100000759439_100000211926 [0,1,0,1,0,0|0,0,2]=4 16031 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|0,0,0]=2 16032 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|0,0,0]=2 16033 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,1,0,1,0,0|1,0,0]=3 16034 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,1,0,1,0,0|1,0,0]=3 16035 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,1,0,1,0,0|1,0,0]=3 16036 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,1,0,1,0,0|1,0,0]=3 16037 B10R1.11 O=C(CCO)N1CCSC1 240690a_100011215254_100011216618 [0,1,0,1,0,0|2,0,0]=4 16038 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,1,0,1,0,0|1,0,0]=3 16039 B10R1.11 [13CH3]N(CCO)C1CCCC1 269982a_200000200444_200025704644 [0,1,0,1,0,0|2,0,0]=4 16040 B10R1.11 [13CH3]N(CCO)C1CCCC1 34a_200000200444_200025704644 [0,1,0,1,0,0|2,0,0]=4 16041 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,1,0,1,0,0|1,0,0]=3 16042 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,1,0,1,0,0|1,0,0]=3 16043 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,1,0,1,0,0|1,0,0]=3 16044 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,1,0,1,0,0|1,0,0]=3 16045 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|0,0,0]=2 16046 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 16047 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 16048 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 16049 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 16050 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|0,0,0]=2 16051 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|0,0,0]=2 16052 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,0,0]=3 16053 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,0,0]=3 16054 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 16055 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 16056 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|0,0,0]=2 16057 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|0,0,0]=2 16058 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,0,0]=3 16059 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,0,0]=3 16060 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,1,0,1,0,0|2,0,0]=4 16061 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,1,0,1,0,0|2,0,0]=4 16062 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [0,1,0,1,0,0|1,1,0]=4 16063 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [0,1,0,1,0,0|1,1,0]=4 16064 B10R1.21 CCCOCC1=NCCN1 34a_100000210258_100000737910 [0,1,0,1,0,0|2,0,0]=4 16065 B10R1.21 CCCSCC1=NCCN1 62a_100000210303_100000737910 [0,1,0,1,0,0|2,0,0]=4 16066 B10R1.21 CCCSCC1=NCCN1 62a_100000737910_100000210303 [0,1,0,1,0,0|2,0,0]=4 16067 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [0,1,0,1,0,0|2,0,0]=4 16068 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [0,1,0,1,0,0|2,0,0]=4 16069 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [0,1,0,1,0,0|2,0,0]=4 16070 B10R1.24 CCCCCN1CC(C1)F 2230a_100000690557_100000210326 [0,1,0,1,0,0|2,0,0]=4 16071 B10R1.24 CCCCCN1CC(C1)F 269982a_100000690557_100000210215 [0,1,0,1,0,0|2,0,0]=4 16072 B10R1.24 CCCCCN1CC(C1)F 34a_100000690557_100000718602 [0,1,0,1,0,0|2,0,0]=4 16073 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,1,0,1,0,0|2,0,0]=4 16074 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|1,0,0]=3 16075 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|1,0,0]=3 16076 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 16077 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 16078 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|1,0,0]=3 16079 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|1,0,0]=3 16080 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,0]=3 16081 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|1,0,0]=3 16082 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|1,0,0]=3 16083 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|1,0,0]=3 16084 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,0,0]=3 16085 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,0,0]=3 16086 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,1,0,1,0,0|1,0,1]=4 16087 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,1,0,0|1,0,0]=3 16088 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,1,0,1,0,0|2,0,0]=4 16089 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,1,0,1,0,0|2,0,0]=4 16090 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,1,0,1,0,0|2,0,0]=4 16091 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,1,0,1,0,0|2,0,0]=4 16092 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,1,0,1,0,0|2,0,0]=4 16093 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,1,0,1,0,0|2,0,0]=4 16094 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,1,0,1,0,0|2,0,0]=4 16095 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 16096 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 16097 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,1,0,1,0,0|2,0,0]=4 16098 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,1,0,1,0,0|2,0,0]=4 16099 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,1,0,1,0,0|2,0,0]=4 16100 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,1,0,1,0,0|2,0,0]=4 16101 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [0,1,0,1,0,0|2,0,0]=4 16102 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,1,0,1,0,0|2,0,0]=4 16103 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,1,0,1,0,0|2,0,0]=4 16104 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,1,0,0|2,0,0]=4 16105 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,1,0,0|2,0,0]=4 16106 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,1,0,1,0,0|2,0,0]=4 16107 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,1,0,1,0,0|2,0,0]=4 16108 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,1,0,1,0,0|2,0,0]=4 16109 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,1,0,1,0,0|2,0,0]=4 16110 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,1,0,1,0,0|2,0,0]=4 16111 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,1,0,1,0,0|2,0,0]=4 16112 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,1,0,1,0,0|2,0,0]=4 16113 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,1,0,1,0,0|2,0,0]=4 16114 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,1,0,1,0,0|2,0,0]=4 16115 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,1,0,1,0,0|2,0,0]=4 16116 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|2,0,0]=4 16117 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|2,0,0]=4 16118 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,1,0,1,0,0|2,0,0]=4 16119 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,1,0,0|2,0,0]=4 16120 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,1,0,1,0,0|2,0,0]=4 16121 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,1,0,1,0,0|2,0,0]=4 16122 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,1,0,1,0,0|2,0,0]=4 16123 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,1,0,1,0,0|2,0,0]=4 16124 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,1,0,1,0,0|2,0,0]=4 16125 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,1,0,1,0,0|2,0,0]=4 16126 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,1,0,1,0,0|2,0,0]=4 16127 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,1,0,1,0,0|2,0,0]=4 16128 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,1,0,1,0,0|2,0,0]=4 16129 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,1,0,1,0,0|2,0,0]=4 16130 B10R1.29 O=C1NCCC1COCF 34a_100000133458_100015361967 [0,1,0,1,0,0|2,0,0]=4 16131 B10R1.29 O=C1NCCC1NCCF 2230a_100016995588_100011217306 [0,1,0,1,0,0|2,0,0]=4 16132 B10R1.29 O=C1NCCC1NCCF 34a_100016995588_100011217306 [0,1,0,1,0,0|2,0,0]=4 16133 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [0,1,0,1,0,0|2,0,0]=4 16134 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [0,1,0,1,0,0|2,0,0]=4 16135 B10R1.29 O=C1NCC[C@@H]1OCCF 34a_100000688343_100011217306 [0,1,0,1,0,0|2,0,0]=4 16136 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [0,1,0,1,0,0|2,0,0]=4 16137 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,1,0,1,0,0|2,0,0]=4 16138 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,1,0,0|2,0,0]=4 16139 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,1,0,0|2,0,0]=4 16140 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 16141 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,1,0,1,0,0|2,0,0]=4 16142 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,1,0,1,0,0|2,0,0]=4 16143 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,1,0,0|2,0,0]=4 16144 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 16145 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,1,0,1,0,0|2,0,0]=4 16146 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,1,0,1,0,0|2,0,0]=4 16147 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,1,0,1,0,0|2,0,0]=4 16148 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,1,0,1,0,0|2,0,0]=4 16149 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,1,0,1,0,0|2,0,0]=4 16150 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,1,0,1,0,0|2,0,0]=4 16151 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,1,0,1,0,0|2,0,0]=4 16152 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,1,0,1,0,0|2,0,0]=4 16153 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,1,0,1,0,0|2,0,0]=4 16154 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16155 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16156 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16157 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16158 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16159 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16160 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,1,0,1,0,0|2,0,0]=4 16161 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,1,0,1,0,0|2,0,0]=4 16162 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,1,0,1,0,0|2,0,0]=4 16163 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,1,0,1,0,0|1,0,1]=4 16164 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,1,0,1,0,0|1,0,1]=4 16165 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,1,0,1,0,0|1,0,1]=4 16166 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,1,0,1,0,0|1,0,1]=4 16167 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,1,0,1,0,0|1,0,1]=4 16168 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,1,0,1,0,0|1,0,1]=4 16169 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,1,0,1,0,0|1,0,1]=4 16170 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,1,0,1,0,0|1,0,1]=4 16171 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,1,0,1,0,0|1,0,1]=4 16172 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,1,0,1,0,0|1,0,1]=4 16173 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,1,0,1,0,0|1,0,1]=4 16174 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,1,0,1,0,0|1,0,1]=4 16175 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,1,0,1,0,0|1,0,1]=4 16176 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,1,0,1,0,0|1,0,1]=4 16177 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,1,0,1,0,0|1,0,1]=4 16178 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,1,0,1,0,0|1,0,1]=4 16179 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,1,0,1,0,0|1,0,1]=4 16180 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 16181 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 16182 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,1,0,1,0,0|1,0,1]=4 16183 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,1,0,1,0,0|1,0,1]=4 16184 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 16185 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 16186 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 16187 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [0,1,0,1,0,0|2,0,0]=4 16188 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [0,1,0,1,0,0|2,0,0]=4 16189 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [0,1,0,1,0,0|2,0,0]=4 16190 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,1,0,1,0,0|2,0,0]=4 16191 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,1,0,1,0,0|2,0,0]=4 16192 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,1,0,1,0,0|2,0,0]=4 16193 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,1,0,1,0,0|1,0,1]=4 16194 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,1,0,1,0,0|1,0,1]=4 16195 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,1,0,1,0,0|1,0,1]=4 16196 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,1,0,1,0,0|1,0,1]=4 16197 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,1,0,1,0,0|1,0,1]=4 16198 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,1,0,1,0,0|1,0,1]=4 16199 B10R1.96 CCC1=NOC(C1)CNC 2230a_100015184091_200000210301 [0,1,0,1,0,0|1,0,1]=4 16200 B10R1.96 CCC1=NOC(C1)CNC 34a_100102657272_200009817039 [0,1,0,1,0,0|1,0,1]=4 16201 B10R1.96 CCC1=NOC(C1)CNC 7a_106832991635_200009817039 [0,1,0,1,0,0|1,0,1]=4 16202 B10R1.96 CCC1=NOC(C1)CN[13CH3] 2230a_100015184091_200025704644 [0,1,0,1,0,0|1,0,1]=4 16203 B10R1.96 CCC1=NOC(C1)COC 34a_100138415774_200009817039 [0,1,0,1,0,0|1,0,1]=4 16204 B10R1.96 CCC1=NOC(C1)CSC 62a_200000210301_200009817039 [0,1,0,1,0,0|1,0,1]=4 16205 B10R1.96 CCC1=NOC(C1)CSC 62a_200009817039_200000210301 [0,1,0,1,0,0|1,0,1]=4 16206 B10R1.96 CCC1=NOC(C1)CS[13CH3] 62a_200009817039_200025704644 [0,1,0,1,0,0|1,0,1]=4 16207 B10R1.96 CCC1=NOC(C1)CS[13CH3] 62a_200025704644_200009817039 [0,1,0,1,0,0|1,0,1]=4 16208 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,1,0,1,0,0|1,0,1]=4 16209 B10R1.96 CCN1CCC(C1)CCO 2230a_100016987287_100000210202 [0,1,0,1,0,0|2,0,0]=4 16210 B10R1.96 CCN1CCC(C1)CCO 269982a_100016987287_100000204670 [0,1,0,1,0,0|2,0,0]=4 16211 B10R1.96 CCN1CCC(C1)CCO 34a_100016987287_100000210202 [0,1,0,1,0,0|2,0,0]=4 16212 B10R1.96 CCN1CCC(C1)CNC 2230a_100011224064_200000210301 [0,1,0,1,0,0|2,0,0]=4 16213 B10R1.96 CCN1CCC(C1)CNC 2230a_106832991635_100015184589 [0,1,0,1,0,0|2,0,0]=4 16214 B10R1.96 CCN1CCC(C1)CNC 7a_106832991635_100015184589 [0,1,0,1,0,0|2,0,0]=4 16215 B10R1.96 CCN1CCC(C1)CN[13CH3] 2230a_100011224064_200025704644 [0,1,0,1,0,0|2,0,0]=4 16216 B10R1.96 CCN1CCC(C1)COC 2230a_100025706693_100000210202 [0,1,0,1,0,0|2,0,0]=4 16217 B10R1.96 CCN1CCC(C1)COC 269982a_100025706693_100000204670 [0,1,0,1,0,0|2,0,0]=4 16218 B10R1.96 CCN1CCC(C1)COC 34a_100025706693_100000210202 [0,1,0,1,0,0|2,0,0]=4 16219 B10R1.96 CCN1CCC(C1)CSC 62a_100015184589_200000210301 [0,1,0,1,0,0|2,0,0]=4 16220 B10R1.96 CCN1CCC(C1)CSC 62a_200000210301_100015184589 [0,1,0,1,0,0|2,0,0]=4 16221 B10R1.96 CCN1CCC(C1)CS[13CH3] 62a_100015184589_200025704644 [0,1,0,1,0,0|2,0,0]=4 16222 B10R1.96 CCN1CCC(C1)CS[13CH3] 62a_200025704644_100015184589 [0,1,0,1,0,0|2,0,0]=4 16223 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [0,1,0,1,0,0|1,0,1]=4 16224 B10R1.96 CCNC1CCN(C1)CC 2230a_100015188829_100000210202 [0,1,0,1,0,0|2,0,0]=4 16225 B10R1.96 CCO[C@H]1CCN(C1)CC 2230a_100011787710_100000210202 [0,1,0,1,0,0|2,0,0]=4 16226 B10R1.96 CCO[C@H]1CCN(C1)CC 269982a_100011787710_100000204670 [0,1,0,1,0,0|2,0,0]=4 16227 B10R1.96 CCO[C@H]1CCN(C1)CC 34a_100011787710_100000210202 [0,1,0,1,0,0|2,0,0]=4 16228 B10R1.96 CCSC1CCN(C1)CC 62a_100000210202_200011861547 [0,1,0,1,0,0|2,0,0]=4 16229 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [0,1,0,1,0,0|0,0,1]=3 16230 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,1,0,1,0,0|0,0,1]=3 16231 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [0,1,0,1,0,0|0,0,1]=3 16232 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|0,0,0]=2 16233 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|0,0,0]=2 16234 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,1,0,1,0,0|1,0,0]=3 16235 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|0,0,0]=2 16236 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [0,1,0,1,0,0|1,0,1]=4 16237 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|0,0,0]=2 16238 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|0,0,0]=2 16239 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|0,0,0]=2 16240 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 11a_100015525214_100015294237 [0,1,0,1,0,0|1,0,1]=4 16241 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100015525214_100015294237 [0,1,0,1,0,0|1,0,1]=4 16242 B10R1.135 N#C[C@@H]1C[C@H]1C(=O)CCF 1458a_100015294237_100011217306 [0,1,0,1,0,0|1,0,1]=4 16243 B10R1.135 N#C[C@@H]1C[C@H]1C(=O)CCO 1458a_100015294237_100000211926 [0,1,0,1,0,0|1,0,1]=4 16244 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,1,0,1,0,0|2,0,0]=4 16245 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,1,0,1,0,0|2,0,0]=4 16246 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,1,0,1,0,0|2,0,0]=4 16247 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,1,0,1,0,0|2,0,0]=4 16248 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,1,0,1,0,0|2,0,0]=4 16249 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,1,0,1,0,0|2,0,0]=4 16250 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100015525214_100015190264 [0,1,0,1,0,0|2,0,0]=4 16251 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100015525214 [0,1,0,1,0,0|2,0,0]=4 16252 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015525214_100015190264 [0,1,0,1,0,0|2,0,0]=4 16253 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100015525214_100015190264 [0,1,0,1,0,0|2,0,0]=4 16254 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100015525214_100025746932 [0,1,0,1,0,0|2,0,0]=4 16255 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100015525214_100025746932 [0,1,0,1,0,0|2,0,0]=4 16256 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100015525214_100025746932 [0,1,0,1,0,0|2,0,0]=4 16257 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100015525214 [0,1,0,1,0,0|2,0,0]=4 16258 B10R1.136 COCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210968 [0,1,0,1,0,0|2,0,0]=4 16259 B10R1.136 COCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210968 [0,1,0,1,0,0|2,0,0]=4 16260 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 16261 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 16262 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 16263 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 16264 B10R1.136 CSCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000184570 [0,1,0,1,0,0|2,0,0]=4 16265 B10R1.136 CSCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000184570 [0,1,0,1,0,0|2,0,0]=4 16266 B10R1.136 CSCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000184570 [0,1,0,1,0,0|2,0,0]=4 16267 B10R1.136 CSCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000184570 [0,1,0,1,0,0|2,0,0]=4 16268 B10R1.136 CSCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000184570 [0,1,0,1,0,0|2,0,0]=4 16269 B10R1.136 CSCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000184570 [0,1,0,1,0,0|2,0,0]=4 16270 B10R1.136 O=C(CCO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011216618 [0,1,0,1,0,0|2,0,0]=4 16271 B10R1.136 O=C(CCO)N[C@@H]1C[C@H]1F 240690a_100025746932_100011216618 [0,1,0,1,0,0|2,0,0]=4 16272 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100000763092_100000184674 [0,1,0,1,0,0|0,0,1]=3 16273 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100011220946_100000763275 [0,1,0,1,0,0|0,0,1]=3 16274 B10R1.137 C#CCC(=O)CC1CCO1 1458a_100011220946_100000103362 [0,1,0,1,0,0|1,0,1]=4 16275 B10R1.137 C#CCC(=O)CC1COC1 1458a_100000687760_100000184674 [0,1,0,1,0,0|1,0,1]=4 16276 B10R1.137 C#CCC(=O)CC1COC1 1458a_100011220946_100010264016 [0,1,0,1,0,0|1,0,1]=4 16277 B10R1.137 C#CCC(=O)NC1CCC1 1626a_100000749019_100011220946 [0,1,0,1,0,0|1,0,1]=4 16278 B10R1.137 C#CCC(=O)NC1CCC1 527a_100000749019_100011220946 [0,1,0,1,0,0|1,0,1]=4 16279 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [0,1,0,1,0,0|0,0,1]=3 16280 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [0,1,0,1,0,0|0,0,1]=3 16281 B10R1.137 C=CCC(=O)CC1CCO1 1458a_100000210193_100000103362 [0,1,0,1,0,0|1,0,1]=4 16282 B10R1.137 C=CCC(=O)CC1COC1 1458a_100000210193_100010264016 [0,1,0,1,0,0|1,0,1]=4 16283 B10R1.137 C=CCC(=O)CC1COC1 1458a_100000687760_100000210623 [0,1,0,1,0,0|1,0,1]=4 16284 B10R1.137 C=CCC(=O)NC1CCC1 11a_100000749019_100000210193 [0,1,0,1,0,0|1,0,1]=4 16285 B10R1.137 C=CCC(=O)NC1CCC1 1626a_100000749019_100000210193 [0,1,0,1,0,0|1,0,1]=4 16286 B10R1.137 C=CCC(=O)NC1CCC1 240690a_100000749019_100000210193 [0,1,0,1,0,0|1,0,1]=4 16287 B10R1.137 C=CCC(=O)NC1CCC1 527a_100000749019_100000210193 [0,1,0,1,0,0|1,0,1]=4 16288 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,1,0,1,0,0|0,0,1]=3 16289 B10R1.137 CC#CC(=O)CC1CCO1 1458a_100000763181_100000103362 [0,1,0,1,0,0|1,0,1]=4 16290 B10R1.137 CC#CC(=O)CC1COC1 1458a_100000763181_100010264016 [0,1,0,1,0,0|1,0,1]=4 16291 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,1,0,1,0,0|0,0,1]=3 16292 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [0,1,0,1,0,0|1,0,1]=4 16293 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,1,0,1,0,0|1,0,1]=4 16294 B10R1.137 CC=CC(=O)NC1CCC1 11a_100000749019_100000210699 [0,1,0,1,0,0|1,0,1]=4 16295 B10R1.137 CC=CC(=O)NC1CCC1 1626a_100000749019_100000210699 [0,1,0,1,0,0|1,0,1]=4 16296 B10R1.137 CC=CC(=O)NC1CCC1 240690a_100000749019_100000210699 [0,1,0,1,0,0|1,0,1]=4 16297 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,1,0,1,0,0|0,0,2]=4 16298 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|0,0,0]=2 16299 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|0,0,0]=2 16300 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|1,0,0]=3 16301 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,1,0,1,0,0|1,0,0]=3 16302 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,1,0,1,0,0|1,0,0]=3 16303 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,1,0,1,0,0|1,0,0]=3 16304 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,1,0,1,0,0|1,0,0]=3 16305 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,1,0,1,0,0|1,0,0]=3 16306 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,1,0,1,0,0|1,0,0]=3 16307 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,1,0,1,0,0|1,0,0]=3 16308 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 16309 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 16310 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 16311 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,1,0,1,0,0|2,0,0]=4 16312 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 16313 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 16314 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 16315 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 16316 B10R1.137 CCCC(C)CN1CCC1 269982a_100000754969_100011216630 [0,1,0,1,0,0|2,0,0]=4 16317 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [0,1,0,1,0,0|2,0,0]=4 16318 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 16319 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [0,1,0,1,0,0|2,0,0]=4 16320 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 16321 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 16322 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [0,1,0,1,0,0|0,0,2]=4 16323 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [0,1,0,1,0,0|0,0,2]=4 16324 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|0,0,0]=2 16325 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|0,0,0]=2 16326 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|0,0,0]=2 16327 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,1,0,1,0,0|1,0,0]=3 16328 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,1,0,1,0,0|1,0,0]=3 16329 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,1,0,1,0,0|1,0,0]=3 16330 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,1,0,1,0,0|1,0,0]=3 16331 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,1,0,1,0,0|1,0,0]=3 16332 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,1,0,1,0,0|1,0,0]=3 16333 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,1,0,1,0,0|1,0,0]=3 16334 B10R1.137 CCNC(=O)NC1COC1 2708a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 16335 B10R1.137 CCNC(=O)NC1COC1 2708a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 16336 B10R1.137 CCNC(=O)NC1COC1 273464a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 16337 B10R1.137 CCNC(=O)NC1COC1 273464a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 16338 B10R1.137 CCNC(=O)NC1COC1 512a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 16339 B10R1.137 CCNC(=O)NC1COC1 512a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 16340 B10R1.137 CCNC(=O)NC1CSC1 2708a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 16341 B10R1.137 CCNC(=O)NC1CSC1 2708a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 16342 B10R1.137 CCNC(=O)NC1CSC1 273464a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 16343 B10R1.137 CCNC(=O)NC1CSC1 273464a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 16344 B10R1.137 CCNC(=O)NC1CSC1 512a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 16345 B10R1.137 CCNC(=O)NC1CSC1 512a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 16346 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|1,0,0]=3 16347 B10R1.137 CN(CCF)CC1CCC1 2230a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 16348 B10R1.137 CN(CCF)CC1CCC1 269982a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 16349 B10R1.137 CN(CCF)CC1CCC1 34a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 16350 B10R1.137 CN(CCO)CC1CCC1 2230a_100000210263_100000763275 [0,1,0,1,0,0|2,0,0]=4 16351 B10R1.137 CN(CCO)CC1CCC1 2230a_200000750244_100000211926 [0,1,0,1,0,0|2,0,0]=4 16352 B10R1.137 CN(CCO)CC1CCC1 269982a_100000210263_100000763275 [0,1,0,1,0,0|2,0,0]=4 16353 B10R1.137 CN(CCO)CC1CCC1 269982a_200000750244_100000211926 [0,1,0,1,0,0|2,0,0]=4 16354 B10R1.137 CN(CCO)CC1CCC1 34a_200000750244_100000211926 [0,1,0,1,0,0|2,0,0]=4 16355 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,1,0,1,0,0|1,0,0]=3 16356 B10R1.137 CNNC(=O)CC1COC1 22a_100016993582_100000687760 [0,1,0,1,0,0|2,0,0]=4 16357 B10R1.137 CNNC(=O)NC1CCC1 273464a_100000749019_100016993582 [0,1,0,1,0,0|2,0,0]=4 16358 B10R1.137 CNNC(=O)NC1CCC1 512a_100000749019_100016993582 [0,1,0,1,0,0|2,0,0]=4 16359 B10R1.137 CNNC(=O)NC1CCC1 512a_100016993582_100000749019 [0,1,0,1,0,0|2,0,0]=4 16360 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|0,0,0]=2 16361 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|1,0,0]=3 16362 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,1,0,1,0,0|1,0,0]=3 16363 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,1,0,1,0,0|1,0,0]=3 16364 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,1,0,1,0,0|1,0,0]=3 16365 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,1,0,1,0,0|1,0,0]=3 16366 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,1,0,1,0,0|1,0,0]=3 16367 B10R1.137 COCC(=O)NC1COC1 11a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 16368 B10R1.137 COCC(=O)NC1COC1 1626a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 16369 B10R1.137 COCC(=O)NC1COC1 240690a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 16370 B10R1.137 COCC(=O)NC1COC1 527a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 16371 B10R1.137 COCC(=O)NC1CSC1 11a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 16372 B10R1.137 COCC(=O)NC1CSC1 1626a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 16373 B10R1.137 COCC(=O)NC1CSC1 240690a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 16374 B10R1.137 COCC(=O)NC1CSC1 527a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 16375 B10R1.137 COCN(C)CC1CCC1 2230a_200000750244_100000766300 [0,1,0,1,0,0|2,0,0]=4 16376 B10R1.137 COCN(C)CC1CCC1 269982a_200000750244_100000766300 [0,1,0,1,0,0|2,0,0]=4 16377 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,1,0,1,0,0|0,0,0]=2 16378 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,1,0,1,0,0|1,0,0]=3 16379 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,1,0,1,0,0|1,0,0]=3 16380 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [0,1,0,1,0,0|1,0,0]=3 16381 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [0,1,0,1,0,0|1,0,0]=3 16382 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [0,1,0,1,0,0|1,0,0]=3 16383 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [0,1,0,1,0,0|1,0,0]=3 16384 B10R1.137 CSCC(=O)NC1COC1 11a_100016991112_100000184570 [0,1,0,1,0,0|2,0,0]=4 16385 B10R1.137 CSCC(=O)NC1COC1 1626a_100016991112_100000184570 [0,1,0,1,0,0|2,0,0]=4 16386 B10R1.137 CSCC(=O)NC1COC1 240690a_100016991112_100000184570 [0,1,0,1,0,0|2,0,0]=4 16387 B10R1.137 CSCC(=O)NC1COC1 527a_100016991112_100000184570 [0,1,0,1,0,0|2,0,0]=4 16388 B10R1.137 CSCC(=O)NC1CSC1 11a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 16389 B10R1.137 CSCC(=O)NC1CSC1 1626a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 16390 B10R1.137 CSCC(=O)NC1CSC1 240690a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 16391 B10R1.137 CSCC(=O)NC1CSC1 527a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 16392 B10R1.137 CSCN(C)CC1CCC1 2230a_200000750244_100011218213 [0,1,0,1,0,0|2,0,0]=4 16393 B10R1.137 CSCN(C)CC1CCC1 269982a_200000750244_100011218213 [0,1,0,1,0,0|2,0,0]=4 16394 B10R1.137 CSCN(C)CC1CCC1 34a_200000750244_100011218213 [0,1,0,1,0,0|2,0,0]=4 16395 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100000763092_100011214920 [0,1,0,1,0,0|0,0,1]=3 16396 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100051588842_100000763275 [0,1,0,1,0,0|0,0,1]=3 16397 B10R1.137 N#CCC(=O)CC1CCO1 1458a_100051588842_100000103362 [0,1,0,1,0,0|1,0,1]=4 16398 B10R1.137 N#CCC(=O)CC1COC1 1458a_100000687760_100011214920 [0,1,0,1,0,0|1,0,1]=4 16399 B10R1.137 N#CCC(=O)CC1COC1 1458a_100051588842_100010264016 [0,1,0,1,0,0|1,0,1]=4 16400 B10R1.137 N#CCC(=O)NC1CCC1 1626a_100000749019_100051588842 [0,1,0,1,0,0|1,0,1]=4 16401 B10R1.137 N#CCC(=O)NC1CCC1 240690a_100000749019_100051588842 [0,1,0,1,0,0|1,0,1]=4 16402 B10R1.137 O=C(C=C1CCC1)CCF 1458a_100000686340_100011217306 [0,1,0,1,0,0|0,0,2]=4 16403 B10R1.137 O=C(C=C1CCC1)CCO 1458a_100000686340_100000211926 [0,1,0,1,0,0|0,0,2]=4 16404 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [0,1,0,1,0,0|0,0,2]=4 16405 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [0,1,0,1,0,0|0,0,2]=4 16406 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [0,1,0,1,0,0|0,0,2]=4 16407 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|0,0,0]=2 16408 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [0,1,0,1,0,0|1,0,0]=3 16409 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|0,0,0]=2 16410 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|0,0,0]=2 16411 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,1,0,1,0,0|1,0,0]=3 16412 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,1,0,1,0,0|1,0,0]=3 16413 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,1,0,1,0,0|1,0,0]=3 16414 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,1,0,1,0,0|1,0,0]=3 16415 B10R1.137 O=C(CCO)NC1COC1 240690a_100016991112_100011216618 [0,1,0,1,0,0|2,0,0]=4 16416 B10R1.137 O=C(CCO)NC1CSC1 240690a_100016994217_100011216618 [0,1,0,1,0,0|2,0,0]=4 16417 B10R1.137 O=C(CN1CCC1)NCO 269982a_100000754969_100000185155 [0,1,0,1,0,0|2,0,0]=4 16418 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100000756386_100000184674 [0,1,0,1,0,0|0,0,1]=3 16419 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100011220946_100000694398 [0,1,0,1,0,0|0,0,1]=3 16420 B10R1.138 C#CCC(=O)CCC1CO1 1458a_100011220946_100000732470 [0,1,0,1,0,0|1,0,1]=4 16421 B10R1.138 C#CCC(=O)NCC1CC1 1626a_100000735609_100011220946 [0,1,0,1,0,0|1,0,1]=4 16422 B10R1.138 C#CCC(=O)NCC1CC1 527a_100000735609_100011220946 [0,1,0,1,0,0|1,0,1]=4 16423 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,1,0,1,0,0|0,0,1]=3 16424 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,1,0,1,0,0|0,0,1]=3 16425 B10R1.138 C=CCC(=O)CCC1CO1 1458a_100000210193_100000732470 [0,1,0,1,0,0|1,0,1]=4 16426 B10R1.138 C=CCC(=O)NCC1CC1 11a_100000735609_100000210193 [0,1,0,1,0,0|1,0,1]=4 16427 B10R1.138 C=CCC(=O)NCC1CC1 1626a_100000735609_100000210193 [0,1,0,1,0,0|1,0,1]=4 16428 B10R1.138 C=CCC(=O)NCC1CC1 240690a_100000735609_100000210193 [0,1,0,1,0,0|1,0,1]=4 16429 B10R1.138 C=CCC(=O)NCC1CC1 527a_100000735609_100000210193 [0,1,0,1,0,0|1,0,1]=4 16430 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [0,1,0,1,0,0|0,0,1]=3 16431 B10R1.138 CC#CC(=O)CCC1CO1 1458a_100000763181_100000732470 [0,1,0,1,0,0|1,0,1]=4 16432 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,1,0,1,0,0|0,0,1]=3 16433 B10R1.138 CC=CC(=O)CCC1CO1 1458a_100000210699_100000732470 [0,1,0,1,0,0|1,0,1]=4 16434 B10R1.138 CC=CC(=O)NCC1CC1 11a_100000735609_100000210699 [0,1,0,1,0,0|1,0,1]=4 16435 B10R1.138 CC=CC(=O)NCC1CC1 1626a_100000735609_100000210699 [0,1,0,1,0,0|1,0,1]=4 16436 B10R1.138 CC=CC(=O)NCC1CC1 240690a_100000735609_100000210699 [0,1,0,1,0,0|1,0,1]=4 16437 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,1,0,1,0,0|0,0,2]=4 16438 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|0,0,0]=2 16439 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|0,0,0]=2 16440 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,1,0,1,0,0|1,0,0]=3 16441 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,1,0,1,0,0|1,0,0]=3 16442 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,1,0,1,0,0|1,0,0]=3 16443 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,1,0,1,0,0|1,0,0]=3 16444 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,1,0,1,0,0|1,0,0]=3 16445 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,1,0,1,0,0|1,0,0]=3 16446 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [0,1,0,1,0,0|2,0,0]=4 16447 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [0,1,0,1,0,0|2,0,0]=4 16448 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [0,1,0,1,0,0|2,0,0]=4 16449 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [0,1,0,1,0,0|0,0,2]=4 16450 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [0,1,0,1,0,0|0,0,2]=4 16451 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|0,0,0]=2 16452 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|0,0,0]=2 16453 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|0,0,0]=2 16454 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,1,0,1,0,0|1,0,0]=3 16455 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,1,0,1,0,0|1,0,0]=3 16456 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,1,0,1,0,0|1,0,0]=3 16457 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,1,0,1,0,0|1,0,0]=3 16458 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,1,0,1,0,0|1,0,0]=3 16459 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,1,0,1,0,0|1,0,0]=3 16460 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,1,0,1,0,0|1,0,0]=3 16461 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,1,0,1,0,0|1,0,0]=3 16462 B10R1.138 CCNC(=O)NNC1CC1 273464a_100015525214_100000701032 [0,1,0,1,0,0|2,0,0]=4 16463 B10R1.138 CCNC(=O)NNC1CC1 512a_100000701032_100015525214 [0,1,0,1,0,0|2,0,0]=4 16464 B10R1.138 CCNC(=O)NNC1CC1 512a_100015525214_100000701032 [0,1,0,1,0,0|2,0,0]=4 16465 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,1,0,1,0,0|1,0,0]=3 16466 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,1,0,1,0,0|1,0,0]=3 16467 B10R1.138 CN(CCO)CCC1CC1 2230a_100000210263_100000694398 [0,1,0,1,0,0|2,0,0]=4 16468 B10R1.138 CN(CCO)CCC1CC1 269982a_100000210263_100000694398 [0,1,0,1,0,0|2,0,0]=4 16469 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [0,1,0,1,0,0|1,0,0]=3 16470 B10R1.138 CNNC(=O)NCC1CC1 273464a_100000735609_100016993582 [0,1,0,1,0,0|2,0,0]=4 16471 B10R1.138 CNNC(=O)NCC1CC1 512a_100000735609_100016993582 [0,1,0,1,0,0|2,0,0]=4 16472 B10R1.138 CNNC(=O)NCC1CC1 512a_100016993582_100000735609 [0,1,0,1,0,0|2,0,0]=4 16473 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|0,0,0]=2 16474 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|1,0,0]=3 16475 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,1,0,1,0,0|1,0,0]=3 16476 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,1,0,1,0,0|1,0,0]=3 16477 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,1,0,1,0,0|1,0,0]=3 16478 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,1,0,1,0,0|1,0,0]=3 16479 B10R1.138 COCC(=O)NNC1CC1 22a_100000701032_100000210968 [0,1,0,1,0,0|2,0,0]=4 16480 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,1,0,1,0,0|0,0,0]=2 16481 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,1,0,1,0,0|1,0,0]=3 16482 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [0,1,0,1,0,0|1,0,0]=3 16483 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [0,1,0,1,0,0|1,0,0]=3 16484 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [0,1,0,1,0,0|1,0,0]=3 16485 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [0,1,0,1,0,0|1,0,0]=3 16486 B10R1.138 CSCC(=O)NNC1CC1 22a_100000701032_100000184570 [0,1,0,1,0,0|2,0,0]=4 16487 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100000756386_100011214920 [0,1,0,1,0,0|0,0,1]=3 16488 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100051588842_100000694398 [0,1,0,1,0,0|0,0,1]=3 16489 B10R1.138 N#CCC(=O)CCC1CO1 1458a_100051588842_100000732470 [0,1,0,1,0,0|1,0,1]=4 16490 B10R1.138 N#CCC(=O)NCC1CC1 1626a_100000735609_100051588842 [0,1,0,1,0,0|1,0,1]=4 16491 B10R1.138 N#CCC(=O)NCC1CC1 240690a_100000735609_100051588842 [0,1,0,1,0,0|1,0,1]=4 16492 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,1,0,1,0,0|0,0,2]=4 16493 B10R1.138 O=C(C=CC1CC1)CCF 1458a_100102529529_100011217306 [0,1,0,1,0,0|0,0,2]=4 16494 B10R1.138 O=C(C=CC1CC1)CCO 1458a_100102529529_100000211926 [0,1,0,1,0,0|0,0,2]=4 16495 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,1,0,1,0,0|0,0,2]=4 16496 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,1,0,1,0,0|0,0,2]=4 16497 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,1,0,1,0,0|0,0,0]=2 16498 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,1,0,1,0,0|0,0,0]=2 16499 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,1,0,1,0,0|0,0,0]=2 16500 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,1,0,1,0,0|1,0,0]=3 16501 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,1,0,1,0,0|1,0,0]=3 16502 B10R1.138 O=C(CCO)NNC1CC1 22a_100000701032_100011216618 [0,1,0,1,0,0|2,0,0]=4 16503 B10R1.138 O=C(CNC1CC1)NCO 34a_100000212008_100000185155 [0,1,0,1,0,0|2,0,0]=4 16504 B10R1.138 O=C(CSC1CC1)NCO 62a_100000185155_100000211595 [0,1,0,1,0,0|2,0,0]=4 16505 B10R1.139 C#CCC(=O)N1CCC1C 527a_100000755817_100011220946 [0,1,0,1,0,0|1,0,1]=4 16506 B10R1.139 C=CCC(=O)N1CCC1C 11a_100000755817_100000210193 [0,1,0,1,0,0|1,0,1]=4 16507 B10R1.139 C=CCC(=O)N1CCC1C 240690a_100000755817_100000210193 [0,1,0,1,0,0|1,0,1]=4 16508 B10R1.139 C=CCC(=O)N1CCC1C 527a_100000755817_100000210193 [0,1,0,1,0,0|1,0,1]=4 16509 B10R1.139 CC1CCN1C(=O)CC#N 240690a_100000755817_100051588842 [0,1,0,1,0,0|1,0,1]=4 16510 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,1,0,1,0,0|1,0,0]=3 16511 B10R1.139 CC=CC(=O)N1CCC1C 11a_100000755817_100000210699 [0,1,0,1,0,0|1,0,1]=4 16512 B10R1.139 CC=CC(=O)N1CCC1C 240690a_100000755817_100000210699 [0,1,0,1,0,0|1,0,1]=4 16513 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|0,0,1]=3 16514 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,1,0,1,0,0|1,0,0]=3 16515 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,1,0,1,0,0|1,0,0]=3 16516 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,1,0,1,0,0|1,0,0]=3 16517 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [0,1,0,1,0,0|1,0,0]=3 16518 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,1,0,1,0,0|1,0,0]=3 16519 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,1,0,1,0,0|1,0,0]=3 16520 B10R1.139 CN(CCO)C1CCC1=O 269982a_100000210263_100009892977 [0,1,0,1,0,0|2,0,0]=4 16521 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,1,0,0|1,0,1]=4 16522 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,1,0,1,0,0|1,0,0]=3 16523 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,1,0,1,0,0|1,0,0]=3 16524 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,1,0,1,0,0|1,0,0]=3 16525 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [0,1,0,1,0,0|1,0,1]=4 16526 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,1,0,1,0,0|1,0,0]=3 16527 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,1,0,1,0,0|1,0,0]=3 16528 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,1,0,1,0,0|1,0,0]=3 16529 B10R1.139 O=C(CCO)C1CCC1=O 1458a_100011216618_100009892977 [0,1,0,1,0,0|1,0,1]=4 16530 B10R1.186 C#CCCCC(=O)C1CC1 1458a_100000210395_100000731252 [0,1,0,1,0,0|0,0,2]=4 16531 B10R1.186 C#CCCCC(=O)C1CO1 1458a_100000701028_100000731252 [0,1,0,1,0,0|0,0,2]=4 16532 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [0,1,0,1,0,0|0,0,2]=4 16533 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [0,1,0,1,0,0|0,0,2]=4 16534 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [0,1,0,1,0,0|0,0,2]=4 16535 B10R1.186 CC/C=C\CC(=O)C1CO1 1458a_100000701028_100103147603 [0,1,0,1,0,0|0,0,2]=4 16536 B10R1.186 CCC#CCC(=O)C1CC1 1458a_100000210395_100009813939 [0,1,0,1,0,0|0,0,2]=4 16537 B10R1.186 CCC#CCC(=O)C1CO1 1458a_100000701028_100009813939 [0,1,0,1,0,0|0,0,2]=4 16538 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|0,0,0]=2 16539 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,0]=2 16540 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [0,1,0,1,0,0|2,0,0]=4 16541 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [0,1,0,1,0,0|2,0,0]=4 16542 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [0,1,0,1,0,0|2,0,0]=4 16543 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,1,0,1,0,0|1,0,0]=3 16544 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,1,0,1,0,0|1,0,0]=3 16545 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,1,0,1,0,0|1,0,0]=3 16546 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,1,0,1,0,0|1,0,0]=3 16547 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 16548 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 16549 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 16550 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 16551 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [0,1,0,1,0,0|2,0,0]=4 16552 B10R1.186 CCCNNC(=O)C1CO1 22a_100000740057_100000701028 [0,1,0,1,0,0|2,0,0]=4 16553 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,1,0,1,0,0|1,0,0]=3 16554 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,1,0,1,0,0|1,0,0]=3 16555 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,1,0,1,0,0|1,0,0]=3 16556 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,1,0,1,0,0|1,0,0]=3 16557 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [0,1,0,1,0,0|2,0,0]=4 16558 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,1,0,1,0,0|1,0,0]=3 16559 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|1,0,0]=3 16560 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [0,1,0,1,0,0|2,0,0]=4 16561 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,1,0,1,0,0|1,0,0]=3 16562 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|1,0,0]=3 16563 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [0,1,0,1,0,0|2,0,0]=4 16564 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [0,1,0,1,0,0|2,0,0]=4 16565 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|1,0,0]=3 16566 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,0]=3 16567 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [0,1,0,1,0,0|2,0,0]=4 16568 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [0,1,0,1,0,0|2,0,0]=4 16569 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [0,1,0,1,0,0|2,0,0]=4 16570 B10R1.186 COCCNC(=O)C1CO1 1626a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 16571 B10R1.186 COCCNC(=O)C1CO1 240690a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 16572 B10R1.186 COCCNC(=O)C1CO1 527a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 16573 B10R1.186 COCSCC(=O)C1CC1 62a_100000746382_100000766300 [0,1,0,1,0,0|2,0,0]=4 16574 B10R1.186 COCSCC(=O)C1CC1 62a_100000766300_100000746382 [0,1,0,1,0,0|2,0,0]=4 16575 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,1,0,1,0,0|2,0,0]=4 16576 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,1,0,1,0,0|2,0,0]=4 16577 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,1,0,1,0,0|2,0,0]=4 16578 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,1,0,1,0,0|2,0,0]=4 16579 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 16580 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 16581 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 16582 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 16583 B10R1.186 CSCOCC(=O)C1CC1 34a_100000686663_100011218213 [0,1,0,1,0,0|2,0,0]=4 16584 B10R1.186 CSCSCC(=O)C1CC1 62a_100000746382_100011218213 [0,1,0,1,0,0|2,0,0]=4 16585 B10R1.186 CSCSCC(=O)C1CC1 62a_100011218213_100000746382 [0,1,0,1,0,0|2,0,0]=4 16586 B10R1.186 N#CCCCC(=O)C1CC1 1458a_100000210395_100000211468 [0,1,0,1,0,0|1,0,1]=4 16587 B10R1.186 N#CCCCC(=O)C1CO1 1458a_100000701028_100000211468 [0,1,0,1,0,0|1,0,1]=4 16588 B10R1.186 NCCOCC(=O)C1CC1 34a_100000210304_100000746382 [0,1,0,1,0,0|2,0,0]=4 16589 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,1,0,1,0,0|1,0,0]=3 16590 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|1,0,0]=3 16591 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|1,0,0]=3 16592 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|1,0,0]=3 16593 B10R1.186 O=C(CNCCF)C1CC1 34a_100000724931_100000746382 [0,1,0,1,0,0|2,0,0]=4 16594 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [0,1,0,1,0,0|2,0,0]=4 16595 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [0,1,0,1,0,0|2,0,0]=4 16596 B10R1.186 O=C(COCCBr)C1CC1 34a_100000211926_100000746382 [0,1,0,1,0,0|2,0,0]=4 16597 B10R1.186 O=C(COCCF)C1CC1 34a_100000686663_100011217306 [0,1,0,1,0,0|2,0,0]=4 16598 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [0,1,0,1,0,0|2,0,0]=4 16599 B10R1.186 O=C(CSCCF)C1CC1 62a_100000746382_100011217306 [0,1,0,1,0,0|2,0,0]=4 16600 B10R1.186 O=C(CSCCF)C1CC1 62a_100011217306_100000746382 [0,1,0,1,0,0|2,0,0]=4 16601 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [0,1,0,1,0,0|2,0,0]=4 16602 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [0,1,0,1,0,0|2,0,0]=4 16603 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [0,1,0,1,0,0|2,0,0]=4 16604 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [0,1,0,1,0,0|2,0,0]=4 16605 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [0,1,0,1,0,0|2,0,0]=4 16606 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [0,1,0,1,0,0|2,0,0]=4 16607 B10R1.186 O=C(NCCCF)C1CO1 11a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 16608 B10R1.186 O=C(NCCCF)C1CO1 1626a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 16609 B10R1.186 O=C(NCCCF)C1CO1 240690a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 16610 B10R1.186 O=C(NCCCF)C1CO1 527a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 16611 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [0,1,0,1,0,0|2,0,0]=4 16612 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [0,1,0,1,0,0|2,0,0]=4 16613 B10R1.186 O=C(NCCCO)C1CO1 240690a_100000182051_100000701028 [0,1,0,1,0,0|2,0,0]=4 16614 B10R1.186 O=C(NCCCO)C1CO1 527a_100000182051_100000701028 [0,1,0,1,0,0|2,0,0]=4 16615 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [0,1,0,1,0,0|1,0,1]=4 16616 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [0,1,0,1,0,0|1,0,1]=4 16617 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 16618 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 16619 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 16620 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 16621 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 16622 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 16623 B10R1.245 CCN1C(CCCC1C)C 2230a_100000210447_100000210202 [0,1,0,1,0,0|1,0,1]=4 16624 B10R1.245 CCN1C(CCCC1C)C 269982a_100000210447_100000204670 [0,1,0,1,0,0|1,0,1]=4 16625 B10R1.245 CCN1C(CCCC1C)C 34a_100000210447_100000210202 [0,1,0,1,0,0|1,0,1]=4 16626 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [0,1,0,1,0,0|1,0,1]=4 16627 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [0,1,0,1,0,0|1,0,1]=4 16628 B10R1.245 CNC1C(CCCC1C)C 269862a_106832991636_100000211995 [0,1,0,1,0,0|1,0,1]=4 16629 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [0,1,0,1,0,0|1,0,1]=4 16630 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [0,1,0,1,0,0|1,0,1]=4 16631 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [0,1,0,1,0,0|1,0,1]=4 16632 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [0,1,0,1,0,0|1,0,1]=4 16633 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [0,1,0,1,0,0|1,0,1]=4 16634 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [0,1,0,1,0,0|1,0,1]=4 16635 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [0,1,0,1,0,0|1,0,1]=4 16636 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [0,1,0,1,0,0|1,0,1]=4 16637 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [0,1,0,1,0,0|1,0,1]=4 16638 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [0,1,0,1,0,0|1,0,1]=4 16639 B10R1.377 CCNC1(CCCCC1)C 2230a_100000741114_100000210202 [0,1,0,1,0,0|1,0,1]=4 16640 B10R1.377 CCNC1(CCCCC1)C 34a_100000741114_100000210202 [0,1,0,1,0,0|1,0,1]=4 16641 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [0,1,0,1,0,0|1,0,1]=4 16642 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [0,1,0,1,0,0|1,0,1]=4 16643 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [0,1,0,1,0,0|1,0,1]=4 16644 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [0,1,0,1,0,0|1,0,1]=4 16645 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [0,1,0,1,0,0|1,0,1]=4 16646 B10R1.377 CNCC1(CCCCC1)O 2230a_100000748649_200000210301 [0,1,0,1,0,0|0,0,2]=4 16647 B10R1.377 CNCC1(CCCCC1)O 34a_100000748649_200000210301 [0,1,0,1,0,0|0,0,2]=4 16648 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [0,1,0,1,0,0|1,0,1]=4 16649 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [0,1,0,1,0,0|1,0,1]=4 16650 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [0,1,0,1,0,0|1,0,1]=4 16651 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [0,1,0,1,0,0|1,0,1]=4 16652 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [0,1,0,1,0,0|1,0,1]=4 16653 B10R1.377 [13CH3]NCC1(CCCCC1)O 2230a_100000748649_200025704644 [0,1,0,1,0,0|0,0,2]=4 16654 B10R1.377 [13CH3]NCC1(CCCCC1)O 34a_100000748649_200025704644 [0,1,0,1,0,0|0,0,2]=4 16655 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [0,1,0,1,0,0|1,0,1]=4 16656 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [0,1,0,1,0,0|1,0,1]=4 16657 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [0,1,0,1,0,0|1,0,1]=4 16658 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,1,0,0|0,0,2]=4 16659 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,1,0,0|0,0,2]=4 16660 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,1,0,0|0,0,2]=4 16661 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|0,0,2]=4 16662 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,1,0,0|0,0,2]=4 16663 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,1,0,0|0,0,2]=4 16664 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|0,0,1]=3 16665 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,1,0,0|0,0,2]=4 16666 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,1,0,0|0,0,2]=4 16667 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,1,0,0|0,0,1]=3 16668 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|0,0,0]=2 16669 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|0,0,0]=2 16670 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|0,0,0]=2 16671 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|0,0,0]=2 16672 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|0,0,0]=2 16673 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,1,0,0|0,0,0]=2 16674 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,1,0,0|0,0,0]=2 16675 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,1,0,0|0,0,0]=2 16676 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,1,0,0|1,0,0]=3 16677 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,1,0,1,0,0|1,0,0]=3 16678 B10R1.15 CCC(=O)N1CC=CCC1 11a_100000698166_100000210414 [0,1,0,1,0,0|0,0,2]=4 16679 B10R1.15 CCC(=O)N1CC=CCC1 1626a_100000698166_100000210414 [0,1,0,1,0,0|0,0,2]=4 16680 B10R1.15 CCC(=O)N1CC=CCC1 240690a_100000698166_100000210414 [0,1,0,1,0,0|0,0,2]=4 16681 B10R1.15 CCC(=O)N1CC=CCC1 527a_100000698166_100000210414 [0,1,0,1,0,0|0,0,2]=4 16682 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,1,0,1,0,0|1,0,0]=3 16683 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,1,0,1,0,0|1,0,0]=3 16684 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [0,1,0,1,0,0|1,0,0]=3 16685 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [0,1,0,1,0,0|1,0,0]=3 16686 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [0,1,0,1,0,0|1,0,0]=3 16687 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [0,1,0,1,0,0|1,0,0]=3 16688 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,1,0,1,0,0|1,0,0]=3 16689 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,1,0,1,0,0|1,0,0]=3 16690 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,1,0,1,0,0|1,0,0]=3 16691 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,1,0,1,0,0|0,0,1]=3 16692 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 16693 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 16694 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 16695 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,1,0,1,0,0|2,0,0]=4 16696 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,1,0,1,0,0|2,0,0]=4 16697 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 16698 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 16699 B10R1.15 CCN(C)C1CCCOC1 269982a_100000225621_100000693364 [0,1,0,1,0,0|2,0,0]=4 16700 B10R1.15 CCN(C)C1CCOCC1 2230a_100011324086_200000210301 [0,1,0,1,0,0|2,0,0]=4 16701 B10R1.15 CCN(C)C1CCOCC1 2230a_100020587155_100000210202 [0,1,0,1,0,0|2,0,0]=4 16702 B10R1.15 CCN(C)C1CCOCC1 269982a_100000225621_100011324220 [0,1,0,1,0,0|2,0,0]=4 16703 B10R1.15 CCN(C)C1CCOCC1 269982a_100011324086_200000210301 [0,1,0,1,0,0|2,0,0]=4 16704 B10R1.15 CCN(C)C1CCOCC1 269982a_100020587155_100000204670 [0,1,0,1,0,0|2,0,0]=4 16705 B10R1.15 CCN(C)C1CCOCC1 34a_100011324086_200000210301 [0,1,0,1,0,0|2,0,0]=4 16706 B10R1.15 CCN(C)C1CCOCC1 34a_100020587155_100000210202 [0,1,0,1,0,0|2,0,0]=4 16707 B10R1.15 CCN(C)C1CCSCC1 2230a_100015184757_100000210202 [0,1,0,1,0,0|2,0,0]=4 16708 B10R1.15 CCN(C)C1CCSCC1 269982a_100000225621_100000069128 [0,1,0,1,0,0|2,0,0]=4 16709 B10R1.15 CCN(C)C1CCSCC1 269982a_100015184757_100000204670 [0,1,0,1,0,0|2,0,0]=4 16710 B10R1.15 CCN(C)C1CCSCC1 34a_100015184757_100000210202 [0,1,0,1,0,0|2,0,0]=4 16711 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 16712 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 16713 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 16714 B10R1.15 CCN([13CH3])C1CCOCC1 2230a_100011324086_200025704644 [0,1,0,1,0,0|2,0,0]=4 16715 B10R1.15 CCN([13CH3])C1CCOCC1 269982a_100011324086_200025704644 [0,1,0,1,0,0|2,0,0]=4 16716 B10R1.15 CCN([13CH3])C1CCOCC1 34a_100011324086_200025704644 [0,1,0,1,0,0|2,0,0]=4 16717 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,1,0,0|1,0,1]=4 16718 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 16719 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 16720 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 16721 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|1,0,0]=3 16722 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 16723 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 16724 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 16725 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|1,0,0]=3 16726 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 16727 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 16728 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 16729 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|1,0,0]=3 16730 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 16731 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 16732 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 16733 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,1,0,0|1,0,0]=3 16734 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 16735 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 16736 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 16737 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,1,0,0|1,0,0]=3 16738 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 16739 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 16740 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 16741 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,1,0,0|2,0,0]=4 16742 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 16743 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 16744 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 16745 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,1,0,1,0,0|2,0,0]=4 16746 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 16747 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 16748 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 16749 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,1,0,1,0,0|2,0,0]=4 16750 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,1,0,1,0,0|2,0,0]=4 16751 B10R1.15 CNC(=O)N1CCOCC1 2708a_100102657272_100015191051 [0,1,0,1,0,0|2,0,0]=4 16752 B10R1.15 CNC(=O)N1CCOCC1 273464a_100102657272_100015191051 [0,1,0,1,0,0|2,0,0]=4 16753 B10R1.15 CNC(=O)N1CCSCC1 2708a_100102657272_100000737611 [0,1,0,1,0,0|2,0,0]=4 16754 B10R1.15 CNC(=O)N1CCSCC1 273464a_100102657272_100000737611 [0,1,0,1,0,0|2,0,0]=4 16755 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [0,1,0,1,0,0|1,0,1]=4 16756 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [0,1,0,1,0,0|1,0,1]=4 16757 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [0,1,0,1,0,0|1,0,1]=4 16758 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [0,1,0,1,0,0|1,0,1]=4 16759 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,1,0,0|1,0,1]=4 16760 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|1,0,0]=3 16761 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|1,0,0]=3 16762 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,1,0,0|1,0,0]=3 16763 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,1,0,0|1,0,0]=3 16764 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,1,0,0|1,0,0]=3 16765 B10R1.15 O=C(CF)C1COCCO1 1458a_100000045528_100015361967 [0,1,0,1,0,0|2,0,0]=4 16766 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,1,0,1,0,0|2,0,0]=4 16767 B10R1.15 O=C(CF)[C@H]1CC=CCC1 1458a_100009820709_100015361967 [0,1,0,1,0,0|1,0,1]=4 16768 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|1,0,1]=4 16769 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|1,0,0]=3 16770 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,0,0]=3 16771 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|1,0,0]=3 16772 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,1,0,0|2,0,0]=4 16773 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 16774 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 16775 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 16776 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 16777 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|1,0,0]=3 16778 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [0,1,0,1,0,0|2,0,0]=4 16779 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,1,0,1,0,0|2,0,0]=4 16780 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [0,1,0,1,0,0|2,0,0]=4 16781 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [0,1,0,1,0,0|2,0,0]=4 16782 B10R1.119 CC1C(=O)N(CCN1C)C 2230a_100000708691_200000210301 [0,1,0,1,0,0|2,0,0]=4 16783 B10R1.119 CC1C(=O)N(CCN1C)C 269982a_100000708691_200000210301 [0,1,0,1,0,0|2,0,0]=4 16784 B10R1.119 CC1C(=O)N(CCN1C)C 34a_100000708691_200000210301 [0,1,0,1,0,0|2,0,0]=4 16785 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 2230a_100000708691_200025704644 [0,1,0,1,0,0|2,0,0]=4 16786 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 269982a_100000708691_200025704644 [0,1,0,1,0,0|2,0,0]=4 16787 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 34a_100000708691_200025704644 [0,1,0,1,0,0|2,0,0]=4 16788 B10R1.169 CCC(=O)C1CC(C1)CO 1458a_206645079618_100000210202 [0,1,0,1,0,0|1,0,0]=3 16789 B10R1.169 CCC(=O)C1CC(C1)OC 1458a_100011999411_100000210202 [0,1,0,1,0,0|1,0,0]=3 16790 B10R1.169 CCC(=O)N1CC(C1)CC 11a_100015205115_100000210414 [0,1,0,1,0,0|1,0,0]=3 16791 B10R1.169 CCC(=O)N1CC(C1)CC 1626a_100015205115_100000210414 [0,1,0,1,0,0|1,0,0]=3 16792 B10R1.169 CCC(=O)N1CC(C1)CC 240690a_100015205115_100000210414 [0,1,0,1,0,0|1,0,0]=3 16793 B10R1.169 CCC(=O)N1CC(C1)CC 527a_100015205115_100000210414 [0,1,0,1,0,0|1,0,0]=3 16794 B10R1.169 CCC(=O)N1CC(C1)CF 11a_100010363649_100000210414 [0,1,0,1,0,0|2,0,0]=4 16795 B10R1.169 CCC(=O)N1CC(C1)CF 240690a_100010363649_100000210414 [0,1,0,1,0,0|2,0,0]=4 16796 B10R1.169 CCC(=O)N1CC(C1)CF 527a_100010363649_100000210414 [0,1,0,1,0,0|2,0,0]=4 16797 B10R1.169 CCC(=O)N1CC(C1)CO 240690a_100016987283_100000210414 [0,1,0,1,0,0|2,0,0]=4 16798 B10R1.169 CCC(=O)N1CC(C1)CO 527a_100016987283_100000210414 [0,1,0,1,0,0|2,0,0]=4 16799 B10R1.169 CCC(=O)N1CC(C1)OC 11a_100000755009_100000210414 [0,1,0,1,0,0|2,0,0]=4 16800 B10R1.169 CCC(=O)N1CC(C1)OC 1626a_100000755009_100000210414 [0,1,0,1,0,0|2,0,0]=4 16801 B10R1.169 CCC(=O)N1CC(C1)OC 240690a_100000755009_100000210414 [0,1,0,1,0,0|2,0,0]=4 16802 B10R1.169 CCC(=O)N1CC(C1)OC 527a_100000755009_100000210414 [0,1,0,1,0,0|2,0,0]=4 16803 B10R1.169 CCC(=O)N1CC(C1)SC 11a_100016990038_100000210414 [0,1,0,1,0,0|2,0,0]=4 16804 B10R1.169 CCC(=O)N1CC(C1)SC 1626a_100016990038_100000210414 [0,1,0,1,0,0|2,0,0]=4 16805 B10R1.169 CCC(=O)N1CC(C1)SC 240690a_100016990038_100000210414 [0,1,0,1,0,0|2,0,0]=4 16806 B10R1.169 CCC(=O)N1CC(C1)SC 527a_100016990038_100000210414 [0,1,0,1,0,0|2,0,0]=4 16807 B10R1.169 CCC1CN(C1)C(=O)CO 240690a_100015205115_100000210174 [0,1,0,1,0,0|2,0,0]=4 16808 B10R1.169 CCC1CN(C1)C(=O)CO 527a_100015205115_100000210174 [0,1,0,1,0,0|2,0,0]=4 16809 B10R1.169 CCC1CN(C1)C(=O)NC 2708a_100102657272_100015205115 [0,1,0,1,0,0|2,0,0]=4 16810 B10R1.169 CCC1CN(C1)C(=O)NC 273464a_100102657272_100015205115 [0,1,0,1,0,0|2,0,0]=4 16811 B10R1.169 CCN1CC(C1)C(=O)NC 34a_100000703363_100000210202 [0,1,0,1,0,0|2,0,0]=4 16812 B10R1.169 CCN1CC(C1)C(=O)OC 269982a_100015188540_100000204670 [0,1,0,1,0,0|2,0,0]=4 16813 B10R1.169 CNC(=O)C1CC(C1)CO 1626a_100102657272_206645079618 [0,1,0,1,0,0|2,0,0]=4 16814 B10R1.169 CNC(=O)C1CC(C1)OC 11a_106832991635_100011999411 [0,1,0,1,0,0|2,0,0]=4 16815 B10R1.169 CNC(=O)C1CC(C1)OC 1626a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 16816 B10R1.169 CNC(=O)C1CC(C1)OC 240690a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 16817 B10R1.169 CNC(=O)C1CC(C1)OC 527a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 16818 B10R1.169 CNC1CC(C1)C(=O)OC 34a_100102657272_100009897219 [0,1,0,1,0,0|2,0,0]=4 16819 B10R1.169 CNC1CC(C1)C(=O)OC 7a_106832991635_100009897219 [0,1,0,1,0,0|2,0,0]=4 16820 B10R1.169 COC(=O)C1CC(C1)OC 34a_100138415774_100009897219 [0,1,0,1,0,0|2,0,0]=4 16821 B10R1.169 COC(=O)C1CC(C1)OC 7a_100000076263_200000210301 [0,1,0,1,0,0|2,0,0]=4 16822 B10R1.169 COC(=O)C1CC(C1)O[13CH3] 7a_100000076263_200025704644 [0,1,0,1,0,0|2,0,0]=4 16823 B10R1.169 COC(=O)C1CC(C1)SC 62a_100009897219_200000210301 [0,1,0,1,0,0|2,0,0]=4 16824 B10R1.169 COC(=O)C1CC(C1)SC 62a_200000210301_100009897219 [0,1,0,1,0,0|2,0,0]=4 16825 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_100009897219_200025704644 [0,1,0,1,0,0|2,0,0]=4 16826 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_200025704644_100009897219 [0,1,0,1,0,0|2,0,0]=4 16827 B10R1.169 COC1CC(C1)C(=O)CF 1458a_100011999411_100015361967 [0,1,0,1,0,0|2,0,0]=4 16828 B10R1.169 O=C(CF)C1CC(C1)CO 1458a_206645079618_100015361967 [0,1,0,1,0,0|2,0,0]=4 16829 B10R1.176 CCN1CCC(C(C1)C)O 2230a_100011998114_100000210202 [0,1,0,1,0,0|2,0,0]=4 16830 B10R1.176 CCN1CCC(C(C1)C)O 269982a_100011998114_100000204670 [0,1,0,1,0,0|2,0,0]=4 16831 B10R1.176 CN1CC(CCC1=O)N[13CH3] 2230a_100011935005_200025704644 [0,1,0,1,0,0|2,0,0]=4 16832 B10R1.176 CN1CC(CCC1=O)N[13CH3] 34a_100011935005_200025704644 [0,1,0,1,0,0|2,0,0]=4 16833 B10R1.176 CNC1CCC(=O)N(C1)C 2230a_100011935005_200000210301 [0,1,0,1,0,0|2,0,0]=4 16834 B10R1.176 CNC1CCC(=O)N(C1)C 34a_100011935005_200000210301 [0,1,0,1,0,0|2,0,0]=4 16835 B10R1.178 CCCCC(C)N1CCC1 269982a_100000754969_200011215066 [0,1,0,1,0,0|2,0,0]=4 16836 B10R1.182 CCC(=O)C(C)N1CCC1 269982a_100000754969_100000742827 [0,1,0,1,0,0|1,0,0]=3 16837 B10R1.182 CCC(=O)N(C)C1CCC1 11a_100000758072_100000210414 [0,1,0,1,0,0|1,0,0]=3 16838 B10R1.182 CCC(=O)N(C)C1CCC1 1626a_100000758072_100000210414 [0,1,0,1,0,0|1,0,0]=3 16839 B10R1.182 CCC(=O)N(C)C1CCC1 240690a_100000758072_100000210414 [0,1,0,1,0,0|1,0,0]=3 16840 B10R1.182 CCC(=O)N(C)C1CCC1 527a_100000758072_100000210414 [0,1,0,1,0,0|1,0,0]=3 16841 B10R1.182 CCC(=O)N(C)C1COC1 11a_100102693430_100000210414 [0,1,0,1,0,0|2,0,0]=4 16842 B10R1.182 CCC(=O)N(C)C1COC1 1626a_100102693430_100000210414 [0,1,0,1,0,0|2,0,0]=4 16843 B10R1.182 CCC(=O)N(C)C1COC1 240690a_100102693430_100000210414 [0,1,0,1,0,0|2,0,0]=4 16844 B10R1.182 CCC(=O)N(C)C1COC1 527a_100102693430_100000210414 [0,1,0,1,0,0|2,0,0]=4 16845 B10R1.182 CN(C(=O)CO)C1CCC1 240690a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 16846 B10R1.182 CN(C(=O)CO)C1CCC1 527a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 16847 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|1,0,1]=4 16848 B10R1.182 CNC(=O)C(C)N1CCC1 269982a_100000754969_100000209862 [0,1,0,1,0,0|2,0,0]=4 16849 B10R1.182 CNC(=O)C(F)N1CCC1 269982a_100000754969_100009813575 [0,1,0,1,0,0|2,0,0]=4 16850 B10R1.182 CNC(=O)N(C)C1CCC1 2708a_100102657272_100000758072 [0,1,0,1,0,0|2,0,0]=4 16851 B10R1.182 CNC(=O)N(C)C1CCC1 273464a_100102657272_100000758072 [0,1,0,1,0,0|2,0,0]=4 16852 B10R1.182 COC(=O)C(C)N1CCC1 269982a_100000754969_100000211248 [0,1,0,1,0,0|2,0,0]=4 16853 B10R1.184 CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210202 [0,1,0,1,0,0|1,0,1]=4 16854 B10R1.184 CCC(=O)C(C)SC1CC1 62a_100000742827_100000211595 [0,1,0,1,0,0|1,0,0]=3 16855 B10R1.184 CCC(=O)N(C)CC1CC1 11a_100000741881_100000210414 [0,1,0,1,0,0|1,0,0]=3 16856 B10R1.184 CCC(=O)N(C)CC1CC1 1626a_100000741881_100000210414 [0,1,0,1,0,0|1,0,0]=3 16857 B10R1.184 CCC(=O)N(C)CC1CC1 240690a_100000741881_100000210414 [0,1,0,1,0,0|1,0,0]=3 16858 B10R1.184 CCC(=O)N(C)CC1CC1 527a_100000741881_100000210414 [0,1,0,1,0,0|1,0,0]=3 16859 B10R1.184 CN(CC1CC1)C(=O)CO 240690a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 16860 B10R1.184 CN(CC1CC1)C(=O)CO 527a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 16861 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|1,0,1]=4 16862 B10R1.184 CNC(=O)C(C)NC1CC1 34a_100000212008_100000731044 [0,1,0,1,0,0|2,0,0]=4 16863 B10R1.184 CNC(=O)C(C)SC1CC1 62a_100000209862_100000211595 [0,1,0,1,0,0|2,0,0]=4 16864 B10R1.184 CNC(=O)C(F)NC1CC1 34a_100000212008_100009813575 [0,1,0,1,0,0|2,0,0]=4 16865 B10R1.184 CNC(=O)C(F)SC1CC1 62a_100009813575_100000211595 [0,1,0,1,0,0|2,0,0]=4 16866 B10R1.184 CNC(=O)N(C)CC1CC1 2708a_100102657272_100000741881 [0,1,0,1,0,0|2,0,0]=4 16867 B10R1.184 CNC(=O)N(C)CC1CC1 273464a_100102657272_100000741881 [0,1,0,1,0,0|2,0,0]=4 16868 B10R1.184 CNC(=O)[C@@H](C)NC1CC1 34a_100000684985_100000211595 [0,1,0,1,0,0|2,0,0]=4 16869 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|2,0,0]=4 16870 B10R1.184 COC(=O)C(C)OC1CC1 34a_100011215400_100000211595 [0,1,0,1,0,0|2,0,0]=4 16871 B10R1.184 COC(=O)C(C)SC1CC1 62a_100000211248_100000211595 [0,1,0,1,0,0|2,0,0]=4 16872 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,1,0,1,0,0|0,0,2]=4 16873 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,1,0,1,0,0|0,0,2]=4 16874 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 16875 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 16876 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 16877 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 16878 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 16879 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 16880 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 16881 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 16882 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 16883 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 16884 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 16885 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 16886 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,1,0,0|1,0,0]=3 16887 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [0,1,0,1,0,0|2,0,0]=4 16888 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,1,0,0|0,0,0]=2 16889 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,1,0,0|0,0,0]=2 16890 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,1,0,1,0,0|1,0,0]=3 16891 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,1,0,0|1,0,0]=3 16892 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 16893 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 16894 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 16895 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,1,0,0|1,0,0]=3 16896 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,1,0,0|1,0,0]=3 16897 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,1,0,1,0,0|2,0,0]=4 16898 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 16899 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 16900 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 16901 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,1,0,0|1,0,0]=3 16902 B10R1.6 CCS(=O)(=O)N1CCCC1 270084a_100000188435_100000211323 [0,1,0,1,0,0|2,0,0]=4 16903 B10R1.6 CCS(=O)(=O)N1CCCC1 274078a_100000188435_100000211323 [0,1,0,1,0,0|2,0,0]=4 16904 B10R1.6 CCS(=O)(=O)N1CCCC1 40a_100000188435_100000053943 [0,1,0,1,0,0|2,0,0]=4 16905 B10R1.6 CNS(=O)(=O)C1CCCC1 270084a_100102657272_100000748936 [0,1,0,1,0,0|2,0,0]=4 16906 B10R1.6 CNS(=O)(=O)C1CCCC1 274078a_100102657272_100000748936 [0,1,0,1,0,0|2,0,0]=4 16907 B10R1.26 CCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210202 [0,1,0,1,0,0|2,0,0]=4 16908 B10R1.26 CCN1CCS(=O)(=O)CC1 269982a_100000750940_100000204670 [0,1,0,1,0,0|2,0,0]=4 16909 B10R1.26 CCN1CCS(=O)(=O)CC1 34a_100000750940_100000210202 [0,1,0,1,0,0|2,0,0]=4 16910 B10R1.26 CNC1CCS(=O)(=O)CC1 2230a_100000739226_200000210301 [0,1,0,1,0,0|2,0,0]=4 16911 B10R1.26 CNC1CCS(=O)(=O)CC1 270004a_106832991635_100000015219 [0,1,0,1,0,0|2,0,0]=4 16912 B10R1.26 CNC1CCS(=O)(=O)CC1 34a_100000739226_200000210301 [0,1,0,1,0,0|2,0,0]=4 16913 B10R1.26 COC1CCS(=O)(=O)CC1 34a_100011349575_200000210301 [0,1,0,1,0,0|2,0,0]=4 16914 B10R1.26 COC1CCS(=O)(=O)CC1 7a_100011349575_200000210301 [0,1,0,1,0,0|2,0,0]=4 16915 B10R1.26 [13CH3]NC1CCS(=O)(=O)CC1 2230a_100000739226_200025704644 [0,1,0,1,0,0|2,0,0]=4 16916 B10R1.26 [13CH3]NC1CCS(=O)(=O)CC1 34a_100000739226_200025704644 [0,1,0,1,0,0|2,0,0]=4 16917 B10R1.26 [13CH3]OC1CCS(=O)(=O)CC1 34a_100011349575_200025704644 [0,1,0,1,0,0|2,0,0]=4 16918 B10R1.26 [13CH3]OC1CCS(=O)(=O)CC1 7a_100011349575_200025704644 [0,1,0,1,0,0|2,0,0]=4 16919 B10R1.95 CCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210202 [0,1,0,1,0,0|2,0,0]=4 16920 B10R1.95 CCNC1CCS(=O)(=O)C1 34a_100000683523_100000210202 [0,1,0,1,0,0|2,0,0]=4 16921 B10R1.95 CCOC1CCS(=O)(=O)C1 34a_100000186101_100000210202 [0,1,0,1,0,0|2,0,0]=4 16922 B10R1.95 CCOC1CCS(=O)(=O)C1 7a_100000186101_100000210202 [0,1,0,1,0,0|2,0,0]=4 16923 B10R1.95 CNCC1CCS(=O)(=O)C1 2230a_100000737051_200000210301 [0,1,0,1,0,0|2,0,0]=4 16924 B10R1.95 CNCC1CCS(=O)(=O)C1 34a_100000737051_200000210301 [0,1,0,1,0,0|2,0,0]=4 16925 B10R1.95 [13CH3]NCC1CCS(=O)(=O)C1 2230a_100000737051_200025704644 [0,1,0,1,0,0|2,0,0]=4 16926 B10R1.95 [13CH3]NCC1CCS(=O)(=O)C1 34a_100000737051_200025704644 [0,1,0,1,0,0|2,0,0]=4 16927 B10R1.102 CCS(=O)(=O)NC1CCC1 270084a_100000749019_100000211323 [0,1,0,1,0,0|2,0,0]=4 16928 B10R1.102 CCS(=O)(=O)NC1CCC1 274078a_100000749019_100000211323 [0,1,0,1,0,0|2,0,0]=4 16929 B10R1.102 CCS(=O)(=O)NC1CCC1 40a_100000749019_100000053943 [0,1,0,1,0,0|2,0,0]=4 16930 B10R1.103 CCS(=O)(=O)NCC1CC1 270084a_100000735609_100000211323 [0,1,0,1,0,0|2,0,0]=4 16931 B10R1.103 CCS(=O)(=O)NCC1CC1 274078a_100000735609_100000211323 [0,1,0,1,0,0|2,0,0]=4 16932 B10R1.103 CCS(=O)(=O)NCC1CC1 40a_100000735609_100000053943 [0,1,0,1,0,0|2,0,0]=4 16933 B10R1.104 CCS(=O)(=O)N1CCC1C 270084a_100000755817_100000211323 [0,1,0,1,0,0|2,0,0]=4 16934 B10R1.104 CCS(=O)(=O)N1CCC1C 274078a_100000755817_100000211323 [0,1,0,1,0,0|2,0,0]=4 16935 B10R1.104 CCS(=O)(=O)N1CCC1C 40a_100000755817_100000053943 [0,1,0,1,0,0|2,0,0]=4 16936 B10R1.3 CCC1CCC(CC1)NC 2230a_100011194317_200000210301 [0,1,0,1,0,0|1,0,1]=4 16937 B10R1.3 CCC1CCC(CC1)NC 270004a_106832991635_100000210631 [0,1,0,1,0,0|1,0,1]=4 16938 B10R1.3 CCC1CCC(CC1)NC 34a_100011194317_200000210301 [0,1,0,1,0,0|1,0,1]=4 16939 B10R1.3 CCC1CCC(CC1)N[13CH3] 2230a_100011194317_200025704644 [0,1,0,1,0,0|1,0,1]=4 16940 B10R1.3 CCC1CCC(CC1)N[13CH3] 34a_100011194317_200025704644 [0,1,0,1,0,0|1,0,1]=4 16941 B10R1.3 CCC1CCC(CC1)OC 34a_100011215326_200000210301 [0,1,0,1,0,0|0,0,2]=4 16942 B10R1.3 CCC1CCC(CC1)OC 7a_100011215326_200000210301 [0,1,0,1,0,0|0,0,2]=4 16943 B10R1.3 CCC1CCC(CC1)O[13CH3] 34a_100011215326_200025704644 [0,1,0,1,0,0|0,0,2]=4 16944 B10R1.3 CCC1CCC(CC1)O[13CH3] 7a_100011215326_200025704644 [0,1,0,1,0,0|0,0,2]=4 16945 B10R1.3 CCC1CCN(CC1)CC 2230a_100000754474_100000210202 [0,1,0,1,0,0|2,0,0]=4 16946 B10R1.3 CCC1CCN(CC1)CC 269982a_100000754474_100000204670 [0,1,0,1,0,0|2,0,0]=4 16947 B10R1.3 CCC1CCN(CC1)CC 34a_100000754474_100000210202 [0,1,0,1,0,0|2,0,0]=4 16948 B10R1.3 CCC1CCN(CC1)CF 269982a_100000754474_100015361967 [0,1,0,1,0,0|2,0,0]=4 16949 B10R1.3 CCC1CCN(CC1)CF 34a_100000754474_100015361967 [0,1,0,1,0,0|2,0,0]=4 16950 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,1,0,1,0,0|0,0,2]=4 16951 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,1,0,1,0,0|0,0,2]=4 16952 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,1,0,0|0,0,0]=2 16953 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [0,1,0,1,0,0|1,0,0]=3 16954 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [0,1,0,1,0,0|1,0,0]=3 16955 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,1,0,0|0,0,0]=2 16956 B10R1.151 CCC(=O)CSC1COC1 62a_100000747405_100009818527 [0,1,0,1,0,0|1,0,0]=3 16957 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|0,0,0]=2 16958 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|0,0,0]=2 16959 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|0,0,0]=2 16960 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|0,0,0]=2 16961 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,1,0,1,0,0|1,0,0]=3 16962 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,1,0,1,0,0|1,0,0]=3 16963 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,1,0,1,0,0|1,0,0]=3 16964 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,1,0,1,0,0|1,0,0]=3 16965 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,1,0,1,0,0|1,0,0]=3 16966 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,1,0,1,0,0|1,0,0]=3 16967 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,1,0,1,0,0|1,0,0]=3 16968 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,1,0,1,0,0|1,0,0]=3 16969 B10R1.151 CCC(=O)NN=C1CCC1 4a_100000183195_100000241760 [0,1,0,1,0,0|1,0,1]=4 16970 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [0,1,0,1,0,0|1,0,0]=3 16971 B10R1.151 CCC(=O)NNC1COC1 22a_100015188821_100000210414 [0,1,0,1,0,0|2,0,0]=4 16972 B10R1.151 CCC(C)CNC1CCC1 2230a_100000749019_100000748023 [0,1,0,1,0,0|1,0,1]=4 16973 B10R1.151 CCC(C)CNC1CCC1 270004a_100020588543_100000241760 [0,1,0,1,0,0|1,0,1]=4 16974 B10R1.151 CCC(C)CNC1CCC1 34a_100000749019_100000748023 [0,1,0,1,0,0|1,0,1]=4 16975 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [0,1,0,1,0,0|1,0,1]=4 16976 B10R1.151 CCC(C)CSC1CCC1 62a_100000748023_100000749161 [0,1,0,1,0,0|1,0,1]=4 16977 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [0,1,0,1,0,0|1,0,1]=4 16978 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [0,1,0,1,0,0|1,0,1]=4 16979 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [0,1,0,1,0,0|1,0,1]=4 16980 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [0,1,0,1,0,0|1,0,1]=4 16981 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,1,0,1,0,0|1,0,1]=4 16982 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,1,0,1,0,0|1,0,1]=4 16983 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [0,1,0,1,0,0|1,0,1]=4 16984 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [0,1,0,1,0,0|1,0,1]=4 16985 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [0,1,0,1,0,0|0,0,2]=4 16986 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [0,1,0,1,0,0|0,0,2]=4 16987 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [0,1,0,1,0,0|0,0,2]=4 16988 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [0,1,0,1,0,0|0,0,2]=4 16989 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [0,1,0,1,0,0|0,0,2]=4 16990 B10R1.151 CC[C@H](C)CNC1CCC1 2230a_100000749019_100009816398 [0,1,0,1,0,0|1,0,1]=4 16991 B10R1.151 CC[C@H](C)CNC1CCC1 34a_100000749019_100009816398 [0,1,0,1,0,0|1,0,1]=4 16992 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [0,1,0,1,0,0|1,0,1]=4 16993 B10R1.151 CC[C@H](C)CSC1CCC1 62a_100009816398_100000749161 [0,1,0,1,0,0|1,0,1]=4 16994 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,1,0,1,0,0|1,0,0]=3 16995 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,1,0,1,0,0|1,0,0]=3 16996 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,1,0,1,0,0|1,0,0]=3 16997 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,1,0,1,0,0|1,0,0]=3 16998 B10R1.151 CNC(=O)CNC1COC1 2230a_100016991112_100000183359 [0,1,0,1,0,0|2,0,0]=4 16999 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,1,0,1,0,0|1,0,0]=3 17000 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,1,0,1,0,0|1,0,0]=3 17001 B10R1.151 CNC(=O)COC1COC1 34a_100000750040_100009818527 [0,1,0,1,0,0|2,0,0]=4 17002 B10R1.151 CNC(=O)COC1CSC1 7a_100000072292_100000183359 [0,1,0,1,0,0|2,0,0]=4 17003 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,1,0,1,0,0|1,0,0]=3 17004 B10R1.151 CNC(=O)CSC1COC1 62a_100000183359_100009818527 [0,1,0,1,0,0|2,0,0]=4 17005 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,1,0,0|1,0,0]=3 17006 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,1,0,0|1,0,0]=3 17007 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,1,0,0|1,0,0]=3 17008 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,1,0,0|1,0,0]=3 17009 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,1,0,0|1,0,0]=3 17010 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,1,0,0|1,0,0]=3 17011 B10R1.151 CNC(=O)NCC1COC1 2708a_100015281925_106832991635 [0,1,0,1,0,0|2,0,0]=4 17012 B10R1.151 CNC(=O)NCC1COC1 2708a_100102657272_100015281925 [0,1,0,1,0,0|2,0,0]=4 17013 B10R1.151 CNC(=O)NCC1COC1 273464a_100015281925_100102657272 [0,1,0,1,0,0|2,0,0]=4 17014 B10R1.151 CNC(=O)NCC1COC1 273464a_100102657272_100015281925 [0,1,0,1,0,0|2,0,0]=4 17015 B10R1.151 CNC(=O)NCC1COC1 512a_100015281925_100102657272 [0,1,0,1,0,0|2,0,0]=4 17016 B10R1.151 CNC(=O)NCC1COC1 512a_106832991638_100015281925 [0,1,0,1,0,0|2,0,0]=4 17017 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100020831831_106832991635 [0,1,0,1,0,0|2,0,0]=4 17018 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100102657272_100020831831 [0,1,0,1,0,0|2,0,0]=4 17019 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100102657272 [0,1,0,1,0,0|2,0,0]=4 17020 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100102657272_100020831831 [0,1,0,1,0,0|2,0,0]=4 17021 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_100020831831_100102657272 [0,1,0,1,0,0|2,0,0]=4 17022 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_106832991638_100020831831 [0,1,0,1,0,0|2,0,0]=4 17023 B10R1.151 CNC(=O)NNC1CCC1 273464a_100102657272_100000736358 [0,1,0,1,0,0|2,0,0]=4 17024 B10R1.151 CNC(=O)NNC1CCC1 512a_100000736358_100102657272 [0,1,0,1,0,0|2,0,0]=4 17025 B10R1.151 CNC(=O)NNC1CCC1 512a_106832991638_100000736358 [0,1,0,1,0,0|2,0,0]=4 17026 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|1,0,0]=3 17027 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|1,0,0]=3 17028 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|1,0,0]=3 17029 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [0,1,0,1,0,0|2,0,0]=4 17030 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|1,0,0]=3 17031 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,1,0,1,0,0|2,0,0]=4 17032 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|1,0,0]=3 17033 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [0,1,0,1,0,0|2,0,0]=4 17034 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|1,0,0]=3 17035 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|1,0,0]=3 17036 B10R1.151 O=C(CO)NCC1COC1 240690a_100015281925_100000210174 [0,1,0,1,0,0|2,0,0]=4 17037 B10R1.151 O=C(CO)NCC1COC1 527a_100015281925_100000210174 [0,1,0,1,0,0|2,0,0]=4 17038 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 17039 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 17040 B10R1.151 O=C(CO)NNC1CCC1 22a_100000736358_100000210174 [0,1,0,1,0,0|2,0,0]=4 17041 B10R1.152 CC1(CC1)CNC(=O)CO 240690a_100000766693_100000210174 [0,1,0,1,0,0|2,0,0]=4 17042 B10R1.152 CC1(CC1)CNC(=O)CO 527a_100000766693_100000210174 [0,1,0,1,0,0|2,0,0]=4 17043 B10R1.152 CCC(=O)COC1(CC1)C 7a_100011725673_100000747405 [0,1,0,1,0,0|1,0,0]=3 17044 B10R1.152 CCC(=O)NCC1(CC1)C 11a_100000766693_100000210414 [0,1,0,1,0,0|1,0,0]=3 17045 B10R1.152 CCC(=O)NCC1(CC1)C 1626a_100000766693_100000210414 [0,1,0,1,0,0|1,0,0]=3 17046 B10R1.152 CCC(=O)NCC1(CC1)C 240690a_100000766693_100000210414 [0,1,0,1,0,0|1,0,0]=3 17047 B10R1.152 CCC(=O)NCC1(CC1)C 527a_100000766693_100000210414 [0,1,0,1,0,0|1,0,0]=3 17048 B10R1.152 CCC(=O)NCC1(CC1)O 11a_100011936951_100000210414 [0,1,0,1,0,0|1,0,0]=3 17049 B10R1.152 CCC(=O)NCC1(CC1)O 240690a_100011936951_100000210414 [0,1,0,1,0,0|1,0,0]=3 17050 B10R1.152 CCC(=O)NCC1(CC1)O 527a_100011936951_100000210414 [0,1,0,1,0,0|1,0,0]=3 17051 B10R1.152 CNC(=O)CNC1(CC1)C 2230a_100000757604_100000183359 [0,1,0,1,0,0|2,0,0]=4 17052 B10R1.152 CNC(=O)COC1(CC1)C 7a_100011725673_100000183359 [0,1,0,1,0,0|2,0,0]=4 17053 B10R1.152 CNC(=O)NCC1(CC1)C 2708a_100000766693_106832991635 [0,1,0,1,0,0|2,0,0]=4 17054 B10R1.152 CNC(=O)NCC1(CC1)C 2708a_100102657272_100000766693 [0,1,0,1,0,0|2,0,0]=4 17055 B10R1.152 CNC(=O)NCC1(CC1)C 273464a_100000766693_100102657272 [0,1,0,1,0,0|2,0,0]=4 17056 B10R1.152 CNC(=O)NCC1(CC1)C 273464a_100102657272_100000766693 [0,1,0,1,0,0|2,0,0]=4 17057 B10R1.152 CNC(=O)NCC1(CC1)C 512a_100000766693_100102657272 [0,1,0,1,0,0|2,0,0]=4 17058 B10R1.152 CNC(=O)NCC1(CC1)C 512a_106832991638_100000766693 [0,1,0,1,0,0|2,0,0]=4 17059 B10R1.152 CNC(=O)NCC1(CC1)O 2708a_100011936951_106832991635 [0,1,0,1,0,0|2,0,0]=4 17060 B10R1.152 CNC(=O)NCC1(CC1)O 2708a_100102657272_100011936951 [0,1,0,1,0,0|2,0,0]=4 17061 B10R1.152 CNC(=O)NCC1(CC1)O 273464a_100102657272_100011936951 [0,1,0,1,0,0|2,0,0]=4 17062 B10R1.152 CNC(=O)NCC1(CC1)O 512a_100011936951_100102657272 [0,1,0,1,0,0|2,0,0]=4 17063 B10R1.152 CNC(=O)NCC1(CC1)O 512a_106832991638_100011936951 [0,1,0,1,0,0|2,0,0]=4 17064 B10R1.152 COC(=O)CNC1(CC1)C 2230a_100000757604_100000747449 [0,1,0,1,0,0|2,0,0]=4 17065 B10R1.152 COC(=O)COC1(CC1)C 7a_100011725673_100000747449 [0,1,0,1,0,0|2,0,0]=4 17066 B10R1.152 O=C(CO)NCC1(CC1)O 240690a_100011936951_100000210174 [0,1,0,1,0,0|2,0,0]=4 17067 B10R1.152 O=C(CO)NCC1(CC1)O 527a_100011936951_100000210174 [0,1,0,1,0,0|2,0,0]=4 17068 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210414 [0,1,0,1,0,0|1,0,0]=3 17069 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210414 [0,1,0,1,0,0|1,0,0]=3 17070 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210414 [0,1,0,1,0,0|1,0,0]=3 17071 B10R1.412 CNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100102657272_206633788156 [0,1,0,1,0,0|2,0,0]=4 17072 B10R1.412 CNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100102657272_206633788156 [0,1,0,1,0,0|2,0,0]=4 17073 B10R1.412 C[C@H]1[C@H](CN1C(=O)CO)O 240690a_206633788156_100000210174 [0,1,0,1,0,0|2,0,0]=4 17074 B10R1.412 C[C@H]1[C@H](CN1C(=O)CO)O 527a_206633788156_100000210174 [0,1,0,1,0,0|2,0,0]=4 17075 B10R1.463 CC(CF)OC1CCC1=O 34a_100016041109_100009892977 [0,1,0,1,0,0|2,0,0]=4 17076 B10R1.463 CC(CF)OC1CCC1=O 7a_100016041109_100009892977 [0,1,0,1,0,0|2,0,0]=4 17077 B10R1.463 CC(CN)OC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|2,0,0]=4 17078 B10R1.463 CC(CO)SC1CCC1=O 62a_100012180447_100009892977 [0,1,0,1,0,0|2,0,0]=4 17079 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,1,0,1,0,0|0,0,0]=2 17080 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [0,1,0,1,0,0|1,0,1]=4 17081 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [0,1,0,1,0,0|1,0,1]=4 17082 B10R1.463 CCC(C)OC1CCC1=O 7a_100000210228_100009892977 [0,1,0,1,0,0|1,0,0]=3 17083 B10R1.463 CCC(C)SC1CCC1=O 62a_100000758301_100009892977 [0,1,0,1,0,0|1,0,0]=3 17084 B10R1.463 CCC(C)SC1CCC1=O 62a_100009892977_100000758301 [0,1,0,1,0,0|1,0,0]=3 17085 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,1,0,1,0,0|0,0,2]=4 17086 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,1,0,1,0,0|0,0,2]=4 17087 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [0,1,0,1,0,0|1,0,1]=4 17088 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [0,1,0,1,0,0|1,0,1]=4 17089 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [0,1,0,1,0,0|1,0,0]=3 17090 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [0,1,0,1,0,0|1,0,0]=3 17091 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|1,0,0]=3 17092 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|1,0,0]=3 17093 B10R1.463 COC(C)SC1CCC1=O 62a_100009879195_100009892977 [0,1,0,1,0,0|2,0,0]=4 17094 B10R1.463 COC(C)SC1CCC1=O 62a_100009892977_100009879195 [0,1,0,1,0,0|2,0,0]=4 17095 B10R1.463 C[C@H](CO)SC1CCC1=O 62a_100009892977_100016084084 [0,1,0,1,0,0|2,0,0]=4 17096 B10R1.463 C[C@H](CO)SC1CCC1=O 62a_100016084084_100009892977 [0,1,0,1,0,0|2,0,0]=4 17097 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 34a_100012184276_200025704644 [0,1,0,1,0,0|1,0,0]=3 17098 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 7a_100012184276_200025704644 [0,1,0,1,0,0|1,0,0]=3 17099 B10R1.473 CCC1(CCN(CC1)C)O 2230a_100000763344_200000210301 [0,1,0,1,0,0|2,0,0]=4 17100 B10R1.473 CCC1(CCN(CC1)C)O 269982a_100000763344_200000210301 [0,1,0,1,0,0|2,0,0]=4 17101 B10R1.473 CCC1(CCN(CC1)[13CH3])O 2230a_100000763344_200025704644 [0,1,0,1,0,0|2,0,0]=4 17102 B10R1.473 CCC1(CCN(CC1)[13CH3])O 269982a_100000763344_200025704644 [0,1,0,1,0,0|2,0,0]=4 17103 B10R1.473 COC1(CCC(=O)CC1)C 34a_100012184276_200000210301 [0,1,0,1,0,0|1,0,0]=3 17104 B10R1.473 COC1(CCC(=O)CC1)C 7a_100012184276_200000210301 [0,1,0,1,0,0|1,0,0]=3 17105 B10R1.8 CCN1CC(CC(C1)C)C 2230a_100000210448_100000210202 [0,1,0,1,0,0|2,0,0]=4 17106 B10R1.8 CCN1CC(CC(C1)C)C 269982a_100000210448_100000204670 [0,1,0,1,0,0|2,0,0]=4 17107 B10R1.8 CCN1CC(CC(C1)C)C 34a_100000210448_100000210202 [0,1,0,1,0,0|2,0,0]=4 17108 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,1,0,1,0,0|0,0,2]=4 17109 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,1,0,0|0,0,2]=4 17110 B10R1.27 C#CC(=O)CC1CCOC1 1458a_100000211873_100000702531 [0,1,0,1,0,0|0,0,2]=4 17111 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|0,0,2]=4 17112 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,1,0,0|0,0,2]=4 17113 B10R1.27 C=CC(=O)CC1CCOC1 1458a_100000185746_100000702531 [0,1,0,1,0,0|0,0,2]=4 17114 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,1,0,1,0,0|0,0,2]=4 17115 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,1,0,1,0,0|0,0,2]=4 17116 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,1,0,1,0,0|0,0,1]=3 17117 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,1,0,0|0,0,1]=3 17118 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,1,0,1,0,0|0,0,1]=3 17119 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,1,0,1,0,0|0,0,1]=3 17120 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|0,0,0]=2 17121 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|0,0,0]=2 17122 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|0,0,0]=2 17123 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,1,0,1,0,0|0,0,0]=2 17124 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,1,0,1,0,0|0,0,0]=2 17125 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,1,0,1,0,0|1,0,0]=3 17126 B10R1.27 CCC(=O)CN1CC=CC1 269982a_100015195280_100000747405 [0,1,0,1,0,0|0,0,2]=4 17127 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,1,0,1,0,0|0,0,0]=2 17128 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,1,0,1,0,0|0,0,0]=2 17129 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [0,1,0,1,0,0|1,0,0]=3 17130 B10R1.27 CCC(=O)NC1CC=CC1 11a_100015188752_100000210414 [0,1,0,1,0,0|0,0,2]=4 17131 B10R1.27 CCC(=O)NC1CC=CC1 1626a_100015188752_100000210414 [0,1,0,1,0,0|0,0,2]=4 17132 B10R1.27 CCC(=O)NC1CC=CC1 240690a_100015188752_100000210414 [0,1,0,1,0,0|0,0,2]=4 17133 B10R1.27 CCC(=O)NC1CC=CC1 527a_100015188752_100000210414 [0,1,0,1,0,0|0,0,2]=4 17134 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|0,0,0]=2 17135 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|0,0,0]=2 17136 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|0,0,0]=2 17137 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|0,0,0]=2 17138 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,1,0,1,0,0|1,0,0]=3 17139 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,1,0,1,0,0|1,0,0]=3 17140 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,1,0,1,0,0|1,0,0]=3 17141 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,1,0,1,0,0|1,0,0]=3 17142 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,1,0,1,0,0|1,0,0]=3 17143 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,1,0,1,0,0|1,0,0]=3 17144 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [0,1,0,1,0,0|1,0,1]=4 17145 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [0,1,0,1,0,0|1,0,1]=4 17146 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [0,1,0,1,0,0|1,0,1]=4 17147 B10R1.27 CCC(C)NC1CCCC1 2230a_100000209981_100000179811 [0,1,0,1,0,0|1,0,1]=4 17148 B10R1.27 CCC(C)NC1CCCC1 2230a_100000211070_100000758301 [0,1,0,1,0,0|1,0,1]=4 17149 B10R1.27 CCC(C)NC1CCCC1 270004a_100000209981_100000210133 [0,1,0,1,0,0|1,0,1]=4 17150 B10R1.27 CCC(C)NC1CCCC1 34a_100000211070_100011215416 [0,1,0,1,0,0|1,0,1]=4 17151 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,1,0,1,0,0|1,0,1]=4 17152 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,1,0,1,0,0|1,0,1]=4 17153 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,1,0,1,0,0|1,0,1]=4 17154 B10R1.27 CCC(C)SC1CCCC1 62a_100000758301_100000179811 [0,1,0,1,0,0|1,0,1]=4 17155 B10R1.27 CCC(C)SC1CCCC1 62a_100011217020_100000758301 [0,1,0,1,0,0|1,0,1]=4 17156 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [0,1,0,1,0,0|0,0,2]=4 17157 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [0,1,0,1,0,0|0,0,2]=4 17158 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 17159 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 17160 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [0,1,0,1,0,0|2,0,0]=4 17161 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [0,1,0,1,0,0|2,0,0]=4 17162 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [0,1,0,1,0,0|2,0,0]=4 17163 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [0,1,0,1,0,0|2,0,0]=4 17164 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [0,1,0,1,0,0|2,0,0]=4 17165 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [0,1,0,1,0,0|2,0,0]=4 17166 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [0,1,0,1,0,0|2,0,0]=4 17167 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [0,1,0,1,0,0|2,0,0]=4 17168 B10R1.27 CCN(C)CC1CCOC1 2230a_100000225621_100000702531 [0,1,0,1,0,0|2,0,0]=4 17169 B10R1.27 CCN(C)CC1CCOC1 2230a_100000684583_100000210202 [0,1,0,1,0,0|2,0,0]=4 17170 B10R1.27 CCN(C)CC1CCOC1 269982a_100000225621_100000702531 [0,1,0,1,0,0|2,0,0]=4 17171 B10R1.27 CCN(C)CC1CCOC1 269982a_100000684583_100000204670 [0,1,0,1,0,0|2,0,0]=4 17172 B10R1.27 CCN(C)CC1CCOC1 34a_100000684583_100000210202 [0,1,0,1,0,0|2,0,0]=4 17173 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [0,1,0,1,0,0|2,0,0]=4 17174 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [0,1,0,1,0,0|2,0,0]=4 17175 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [0,1,0,1,0,0|2,0,0]=4 17176 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [0,1,0,1,0,0|1,0,1]=4 17177 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [0,1,0,1,0,0|1,0,1]=4 17178 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,1,0,1,0,0|1,0,1]=4 17179 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,1,0,1,0,0|1,0,1]=4 17180 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,1,0,1,0,0|1,0,1]=4 17181 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,1,0,1,0,0|1,0,1]=4 17182 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,1,0,0|1,0,1]=4 17183 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,1,0,0|1,0,1]=4 17184 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,1,0,0|1,0,1]=4 17185 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,1,0,0|1,0,1]=4 17186 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [0,1,0,1,0,0|1,0,1]=4 17187 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [0,1,0,1,0,0|1,0,1]=4 17188 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [0,1,0,1,0,0|1,0,1]=4 17189 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [0,1,0,1,0,0|1,0,1]=4 17190 B10R1.27 CNC(=O)CC1CC=CC1 11a_106832991635_200000137526 [0,1,0,1,0,0|1,0,1]=4 17191 B10R1.27 CNC(=O)CC1CC=CC1 1626a_100102657272_200000137526 [0,1,0,1,0,0|1,0,1]=4 17192 B10R1.27 CNC(=O)CC1CC=CC1 240690a_100102657272_200000137526 [0,1,0,1,0,0|1,0,1]=4 17193 B10R1.27 CNC(=O)CC1CC=CC1 527a_100102657272_200000137526 [0,1,0,1,0,0|1,0,1]=4 17194 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|1,0,0]=3 17195 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 17196 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 17197 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 17198 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,1,0,1,0,0|1,0,0]=3 17199 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 17200 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 17201 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 17202 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,1,0,1,0,0|1,0,0]=3 17203 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,1,0,1,0,0|1,0,0]=3 17204 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,1,0,1,0,0|1,0,0]=3 17205 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,1,0,1,0,0|1,0,0]=3 17206 B10R1.27 CNC(=O)CN1CCSC1 2230a_100011215254_100000183359 [0,1,0,1,0,0|2,0,0]=4 17207 B10R1.27 CNC(=O)CN1CCSC1 269982a_100011215254_100000183359 [0,1,0,1,0,0|2,0,0]=4 17208 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,1,0,0|1,0,0]=3 17209 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,1,0,0|1,0,0]=3 17210 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,1,0,0|1,0,0]=3 17211 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,1,0,0|1,0,0]=3 17212 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,1,0,0|1,0,0]=3 17213 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,1,0,0|1,0,0]=3 17214 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_100102657272_200015188469 [0,1,0,1,0,0|2,0,0]=4 17215 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_200015188469_106832991635 [0,1,0,1,0,0|2,0,0]=4 17216 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_100102657272_200015188469 [0,1,0,1,0,0|2,0,0]=4 17217 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100102657272 [0,1,0,1,0,0|2,0,0]=4 17218 B10R1.27 CNC(=O)N[C@@H]1CCOC1 512a_106832991638_200015188469 [0,1,0,1,0,0|2,0,0]=4 17219 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100015188467_106832991635 [0,1,0,1,0,0|2,0,0]=4 17220 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100102657272_100015188467 [0,1,0,1,0,0|2,0,0]=4 17221 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100015188467_100102657272 [0,1,0,1,0,0|2,0,0]=4 17222 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100102657272_100015188467 [0,1,0,1,0,0|2,0,0]=4 17223 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_100015188467_100102657272 [0,1,0,1,0,0|2,0,0]=4 17224 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_106832991638_100015188467 [0,1,0,1,0,0|2,0,0]=4 17225 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|1,0,0]=3 17226 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|1,0,0]=3 17227 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,1,0,1,0,0|2,0,0]=4 17228 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,1,0,1,0,0|2,0,0]=4 17229 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,1,0,1,0,0|1,0,1]=4 17230 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,1,0,1,0,0|1,0,1]=4 17231 B10R1.27 O=C(CF)CC1C=CCC1 1458a_100000212241_100015361967 [0,1,0,1,0,0|1,0,1]=4 17232 B10R1.27 O=C(CF)CC1CC=CC1 1458a_200000137526_100015361967 [0,1,0,1,0,0|1,0,1]=4 17233 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|1,0,0]=3 17234 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [0,1,0,1,0,0|1,0,0]=3 17235 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,1,0,1,0,0|1,0,0]=3 17236 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|1,0,0]=3 17237 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,0]=3 17238 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|1,0,0]=3 17239 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,1,0,1,0,0|2,0,0]=4 17240 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|1,0,0]=3 17241 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|1,0,0]=3 17242 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,1,0,1,0,0|2,0,0]=4 17243 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,1,0,1,0,0|2,0,0]=4 17244 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,1,0,1,0,0|2,0,0]=4 17245 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,1,0,1,0,0|2,0,0]=4 17246 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 17247 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 17248 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,1,0,0|2,0,0]=4 17249 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,1,0,0|2,0,0]=4 17250 B10R1.134 CC(NC(=O)CO)C1CC1 240690a_100000700016_100000210174 [0,1,0,1,0,0|2,0,0]=4 17251 B10R1.134 CC(NC(=O)CO)C1CC1 527a_100000700016_100000210174 [0,1,0,1,0,0|2,0,0]=4 17252 B10R1.134 CCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210202 [0,1,0,1,0,0|0,0,2]=4 17253 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [0,1,0,1,0,0|0,0,1]=3 17254 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [0,1,0,1,0,0|0,0,1]=3 17255 B10R1.134 CCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747405 [0,1,0,1,0,0|1,0,1]=4 17256 B10R1.134 CCC(=O)CN(C)C1CC1 269982a_100000226674_100000747405 [0,1,0,1,0,0|1,0,0]=3 17257 B10R1.134 CCC(=O)NC(C)C1CC1 11a_100000700016_100000210414 [0,1,0,1,0,0|1,0,0]=3 17258 B10R1.134 CCC(=O)NC(C)C1CC1 1626a_100000700016_100000210414 [0,1,0,1,0,0|1,0,0]=3 17259 B10R1.134 CCC(=O)NC(C)C1CC1 240690a_100000700016_100000210414 [0,1,0,1,0,0|1,0,0]=3 17260 B10R1.134 CCC(=O)NC(C)C1CC1 527a_100000700016_100000210414 [0,1,0,1,0,0|1,0,0]=3 17261 B10R1.134 CNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183359 [0,1,0,1,0,0|1,0,1]=4 17262 B10R1.134 CNC(=O)CN(C)C1CC1 2230a_100000226674_100000183359 [0,1,0,1,0,0|2,0,0]=4 17263 B10R1.134 CNC(=O)CN(C)C1CC1 269982a_100000226674_100000183359 [0,1,0,1,0,0|2,0,0]=4 17264 B10R1.134 CNC(=O)NC(C)C1CC1 2708a_100000700016_106832991635 [0,1,0,1,0,0|2,0,0]=4 17265 B10R1.134 CNC(=O)NC(C)C1CC1 2708a_100102657272_100000700016 [0,1,0,1,0,0|2,0,0]=4 17266 B10R1.134 CNC(=O)NC(C)C1CC1 273464a_100000700016_100102657272 [0,1,0,1,0,0|2,0,0]=4 17267 B10R1.134 CNC(=O)NC(C)C1CC1 273464a_100102657272_100000700016 [0,1,0,1,0,0|2,0,0]=4 17268 B10R1.134 CNC(=O)NC(C)C1CC1 512a_100000700016_100102657272 [0,1,0,1,0,0|2,0,0]=4 17269 B10R1.134 CNC(=O)NC(C)C1CC1 512a_106832991638_100000700016 [0,1,0,1,0,0|2,0,0]=4 17270 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [0,1,0,1,0,0|1,0,1]=4 17271 B10R1.134 COC(=O)CN(C)C1CC1 2230a_100000226674_100000747449 [0,1,0,1,0,0|2,0,0]=4 17272 B10R1.134 COC(=O)CN(C)C1CC1 269982a_100000226674_100000747449 [0,1,0,1,0,0|2,0,0]=4 17273 B10R1.134 O=C(CO)CC(=O)C1CC1 1458a_100000210174_100000746382 [0,1,0,1,0,0|1,0,1]=4 17274 B10R1.149 C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_200121576911 [0,1,0,1,0,0|0,0,2]=4 17275 B10R1.149 C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_200121576911 [0,1,0,1,0,0|0,0,2]=4 17276 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|1,0,0]=3 17277 B10R1.149 CC1SCCN1C(=O)CO 240690a_200011216479_100000210174 [0,1,0,1,0,0|2,0,0]=4 17278 B10R1.149 CC1SCCN1C(=O)CO 527a_200011216479_100000210174 [0,1,0,1,0,0|2,0,0]=4 17279 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|0,0,1]=3 17280 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|0,0,0]=2 17281 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|1,0,1]=4 17282 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|0,0,0]=2 17283 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|0,0,0]=2 17284 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|0,0,0]=2 17285 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|0,0,0]=2 17286 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|0,0,0]=2 17287 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [0,1,0,1,0,0|1,0,0]=3 17288 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [0,1,0,1,0,0|1,0,0]=3 17289 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [0,1,0,1,0,0|1,0,0]=3 17290 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [0,1,0,1,0,0|1,0,0]=3 17291 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,1,0,0|0,0,0]=2 17292 B10R1.149 CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000758301 [0,1,0,1,0,0|1,0,1]=4 17293 B10R1.149 CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000758301 [0,1,0,1,0,0|1,0,1]=4 17294 B10R1.149 CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000758301 [0,1,0,1,0,0|1,0,1]=4 17295 B10R1.149 CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000758301 [0,1,0,1,0,0|1,0,1]=4 17296 B10R1.149 CCC(C)N1CCC[C@H]1C 34a_100015189458_100011215416 [0,1,0,1,0,0|1,0,1]=4 17297 B10R1.149 CCN(C)[C@@H]1CCC[C@H]1O 269982a_100000225621_200016002552 [0,1,0,1,0,0|2,0,0]=4 17298 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,1,0,1,0,0|1,0,0]=3 17299 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|1,0,0]=3 17300 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 17301 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 17302 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 17303 B10R1.149 CNC(=O)C1CSCN1C 240690a_100102657272_100020666735 [0,1,0,1,0,0|2,0,0]=4 17304 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,1,0,0|1,0,0]=3 17305 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,1,0,0|1,0,0]=3 17306 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,1,0,0|1,0,0]=3 17307 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,1,0,0|1,0,0]=3 17308 B10R1.149 CNC(=O)N1CCSC1C 2708a_100102657272_200011216479 [0,1,0,1,0,0|2,0,0]=4 17309 B10R1.149 CNC(=O)N1CCSC1C 273464a_100102657272_200011216479 [0,1,0,1,0,0|2,0,0]=4 17310 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,1,0,1,0,0|1,0,0]=3 17311 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17312 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,1,0,1,0,0|1,0,0]=3 17313 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17314 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17315 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,1,0,1,0,0|1,0,0]=3 17316 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17317 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17318 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17319 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,1,0,1,0,0|2,0,0]=4 17320 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,1,0,1,0,0|2,0,0]=4 17321 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,1,0,1,0,0|2,0,0]=4 17322 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,1,0,1,0,0|2,0,0]=4 17323 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,1,0,1,0,0|2,0,0]=4 17324 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,1,0,1,0,0|2,0,0]=4 17325 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17326 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|1,0,0]=3 17327 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17328 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|1,0,0]=3 17329 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|1,0,0]=3 17330 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|1,0,0]=3 17331 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|1,0,0]=3 17332 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|1,0,0]=3 17333 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|1,0,1]=4 17334 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,1,0,1,0,0|2,0,0]=4 17335 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,1,0,1,0,0|2,0,0]=4 17336 B10R1.429 C#CC(=O)CC1(CCC1)C 1458a_100000211873_100000726658 [0,1,0,1,0,0|0,0,2]=4 17337 B10R1.429 C=CC(=O)CC1(CCC1)C 1458a_100000185746_100000726658 [0,1,0,1,0,0|0,0,2]=4 17338 B10R1.429 CC1(CCC1)CC(=O)CO 1458a_100000210174_100000726658 [0,1,0,1,0,0|1,0,0]=3 17339 B10R1.429 CC1(CCC1)NC(=O)CO 240690a_100000692455_100000210174 [0,1,0,1,0,0|2,0,0]=4 17340 B10R1.429 CC1(CCC1)NC(=O)CO 527a_100000692455_100000210174 [0,1,0,1,0,0|2,0,0]=4 17341 B10R1.429 CC1(COC1)CC(=O)CO 1458a_100000210174_100000066812 [0,1,0,1,0,0|2,0,0]=4 17342 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [0,1,0,1,0,0|0,0,0]=2 17343 B10R1.429 CCC(=O)CC1(COC1)C 1458a_100000210414_100000066812 [0,1,0,1,0,0|1,0,0]=3 17344 B10R1.429 CCC(=O)NC1(CCC1)C 11a_100000692455_100000210414 [0,1,0,1,0,0|1,0,0]=3 17345 B10R1.429 CCC(=O)NC1(CCC1)C 1626a_100000692455_100000210414 [0,1,0,1,0,0|1,0,0]=3 17346 B10R1.429 CCC(=O)NC1(CCC1)C 240690a_100000692455_100000210414 [0,1,0,1,0,0|1,0,0]=3 17347 B10R1.429 CCC(=O)NC1(CCC1)C 527a_100000692455_100000210414 [0,1,0,1,0,0|1,0,0]=3 17348 B10R1.429 CCC(=O)NC1(COC1)C 11a_100000732644_100000210414 [0,1,0,1,0,0|2,0,0]=4 17349 B10R1.429 CCC(=O)NC1(COC1)C 1626a_100000732644_100000210414 [0,1,0,1,0,0|2,0,0]=4 17350 B10R1.429 CCC(=O)NC1(COC1)C 527a_100000732644_100000210414 [0,1,0,1,0,0|2,0,0]=4 17351 B10R1.429 CCN(C)CC1(CCC1)C 2230a_100000225621_100000726658 [0,1,0,1,0,0|2,0,0]=4 17352 B10R1.429 CCN(C)CC1(CCC1)C 269982a_100000225621_100000726658 [0,1,0,1,0,0|2,0,0]=4 17353 B10R1.429 CNC(=O)NC1(CCC1)C 2708a_100102657272_100000692455 [0,1,0,1,0,0|2,0,0]=4 17354 B10R1.429 CNC(=O)NC1(CCC1)C 273464a_100000692455_100102657272 [0,1,0,1,0,0|2,0,0]=4 17355 B10R1.429 CNC(=O)NC1(CCC1)C 273464a_100102657272_100000692455 [0,1,0,1,0,0|2,0,0]=4 17356 B10R1.429 CNC(=O)NC1(CCC1)C 512a_100000692455_100102657272 [0,1,0,1,0,0|2,0,0]=4 17357 B10R1.429 CNC(=O)NC1(CCC1)C 512a_106832991638_100000692455 [0,1,0,1,0,0|2,0,0]=4 17358 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [0,1,0,1,0,0|1,0,0]=3 17359 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [0,1,0,1,0,0|1,0,0]=3 17360 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,1,0,1,0,0|1,0,0]=3 17361 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [0,1,0,1,0,0|1,0,0]=3 17362 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [0,1,0,1,0,0|1,0,0]=3 17363 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [0,1,0,1,0,0|1,0,0]=3 17364 B10R1.1 C=C1CCN(CC1)CCF 2230a_100000752442_100011217306 [0,1,0,1,0,0|2,0,0]=4 17365 B10R1.1 C=C1CCN(CC1)CCF 269982a_100000752442_100011217306 [0,1,0,1,0,0|2,0,0]=4 17366 B10R1.1 C=C1CCN(CC1)CCF 34a_100000752442_100011217306 [0,1,0,1,0,0|2,0,0]=4 17367 B10R1.1 C=C1CCN(CC1)CCO 2230a_100000752442_100000211926 [0,1,0,1,0,0|2,0,0]=4 17368 B10R1.1 C=C1CCN(CC1)CCO 269982a_100000752442_100000211926 [0,1,0,1,0,0|2,0,0]=4 17369 B10R1.1 C=C1CCN(CC1)CCO 34a_100000752442_100000211926 [0,1,0,1,0,0|2,0,0]=4 17370 B10R1.1 C=C1CCN(CC1)COC 2230a_100000752442_100000766300 [0,1,0,1,0,0|2,0,0]=4 17371 B10R1.1 C=C1CCN(CC1)COC 269982a_100000752442_100000766300 [0,1,0,1,0,0|2,0,0]=4 17372 B10R1.1 C=C1CCN(CC1)CSC 2230a_100000752442_100011218213 [0,1,0,1,0,0|2,0,0]=4 17373 B10R1.1 C=C1CCN(CC1)CSC 269982a_100000752442_100011218213 [0,1,0,1,0,0|2,0,0]=4 17374 B10R1.1 C=C1CCN(CC1)CSC 34a_100000752442_100011218213 [0,1,0,1,0,0|2,0,0]=4 17375 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,1,0,1,0,0|1,0,1]=4 17376 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,1,0,1,0,0|1,0,1]=4 17377 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,1,0,1,0,0|1,0,1]=4 17378 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17379 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17380 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17381 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17382 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17383 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17384 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [0,1,0,1,0,0|1,0,1]=4 17385 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [0,1,0,1,0,0|1,0,1]=4 17386 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [0,1,0,1,0,0|1,0,1]=4 17387 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,1,0,1,0,0|1,0,1]=4 17388 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,1,0,1,0,0|1,0,1]=4 17389 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,1,0,1,0,0|1,0,1]=4 17390 B10R1.1 CCCN1CCC(CC1)F 2230a_100015193889_100000210303 [0,1,0,1,0,0|1,0,1]=4 17391 B10R1.1 CCCN1CCC(CC1)F 269982a_100015193889_100000210303 [0,1,0,1,0,0|1,0,1]=4 17392 B10R1.1 CCCN1CCC(CC1)F 34a_100015193889_100000210303 [0,1,0,1,0,0|1,0,1]=4 17393 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [0,1,0,1,0,0|0,0,2]=4 17394 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [0,1,0,1,0,0|0,0,2]=4 17395 B10R1.1 CCCN1CCN(CC1)C 2230a_100000188432_100000210303 [0,1,0,1,0,0|2,0,0]=4 17396 B10R1.1 CCCN1CCN(CC1)C 2230a_100016989359_200000210301 [0,1,0,1,0,0|2,0,0]=4 17397 B10R1.1 CCCN1CCN(CC1)C 269982a_100000188432_100000210303 [0,1,0,1,0,0|2,0,0]=4 17398 B10R1.1 CCCN1CCN(CC1)C 269982a_100016989359_200000210301 [0,1,0,1,0,0|2,0,0]=4 17399 B10R1.1 CCCN1CCN(CC1)[13CH3] 2230a_100016989359_200025704644 [0,1,0,1,0,0|2,0,0]=4 17400 B10R1.1 CCCN1CCN(CC1)[13CH3] 269982a_100016989359_200025704644 [0,1,0,1,0,0|2,0,0]=4 17401 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [0,1,0,1,0,0|1,0,0]=3 17402 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [0,1,0,1,0,0|1,0,0]=3 17403 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,1,0,1,0,0|1,0,0]=3 17404 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,1,0,1,0,0|1,0,0]=3 17405 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,1,0,1,0,0|1,0,1]=4 17406 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,1,0,1,0,0|0,0,2]=4 17407 B10R1.1 CCNC1CCN(CC1)C 270004a_100015525214_100000210137 [0,1,0,1,0,0|2,0,0]=4 17408 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,1,0,1,0,0|1,0,1]=4 17409 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,1,0,1,0,0|1,0,1]=4 17410 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|0,0,0]=2 17411 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|0,0,0]=2 17412 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,1,0,1,0,0|1,0,0]=3 17413 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,1,0,1,0,0|1,0,1]=4 17414 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,1,0,1,0,0|1,0,1]=4 17415 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,1,0,1,0,0|1,0,1]=4 17416 B10R1.1 CCOC1CCN(CC1)C 2230a_100016990603_200000210301 [0,1,0,1,0,0|2,0,0]=4 17417 B10R1.1 CCOC1CCN(CC1)C 269982a_100016990603_200000210301 [0,1,0,1,0,0|2,0,0]=4 17418 B10R1.1 CCOC1CCN(CC1)C 34a_100016990603_200000210301 [0,1,0,1,0,0|2,0,0]=4 17419 B10R1.1 CCOC1CCN(CC1)[13CH3] 2230a_100016990603_200025704644 [0,1,0,1,0,0|2,0,0]=4 17420 B10R1.1 CCOC1CCN(CC1)[13CH3] 269982a_100016990603_200025704644 [0,1,0,1,0,0|2,0,0]=4 17421 B10R1.1 CCOC1CCN(CC1)[13CH3] 34a_100016990603_200025704644 [0,1,0,1,0,0|2,0,0]=4 17422 B10R1.1 CCOC1CNC(=O)NC1 34a_100000080929_100000210202 [0,1,0,1,0,0|2,0,0]=4 17423 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,1,0,1,0,0|1,0,1]=4 17424 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,1,0,1,0,0|1,0,1]=4 17425 B10R1.1 CCSC1CCN(CC1)C 62a_100000210202_100011215917 [0,1,0,1,0,0|2,0,0]=4 17426 B10R1.1 CN1CCC(CC1)CCO 2230a_100015190746_200000210301 [0,1,0,1,0,0|2,0,0]=4 17427 B10R1.1 CN1CCC(CC1)CCO 269982a_100015190746_200000210301 [0,1,0,1,0,0|2,0,0]=4 17428 B10R1.1 CN1CCC(CC1)CCO 34a_100015190746_200000210301 [0,1,0,1,0,0|2,0,0]=4 17429 B10R1.1 CN1CCC(CC1)CS[13CH3] 62a_100015183002_200025704644 [0,1,0,1,0,0|2,0,0]=4 17430 B10R1.1 CN1CCC(CC1)CS[13CH3] 62a_200025704644_100015183002 [0,1,0,1,0,0|2,0,0]=4 17431 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,1,0,1,0,0|1,0,1]=4 17432 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,1,0,1,0,0|1,0,1]=4 17433 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|0,0,0]=2 17434 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,1,0,1,0,0|1,0,1]=4 17435 B10R1.1 COCC1CCN(CC1)C 2230a_100000755097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17436 B10R1.1 COCC1CCN(CC1)C 269982a_100000755097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17437 B10R1.1 COCC1CCN(CC1)C 34a_100000755097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17438 B10R1.1 COCC1CCN(CC1)[13CH3] 2230a_100000755097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17439 B10R1.1 COCC1CCN(CC1)[13CH3] 269982a_100000755097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17440 B10R1.1 COCC1CCN(CC1)[13CH3] 34a_100000755097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17441 B10R1.1 COCN1CCS(=O)CC1 2230a_100000752083_100000766300 [0,1,0,1,0,0|2,0,0]=4 17442 B10R1.1 COCN1CCS(=O)CC1 269982a_100000752083_100000766300 [0,1,0,1,0,0|2,0,0]=4 17443 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,1,0,1,0,0|1,0,1]=4 17444 B10R1.1 CSCC1CCN(CC1)C 2230a_100015187637_200000210301 [0,1,0,1,0,0|2,0,0]=4 17445 B10R1.1 CSCC1CCN(CC1)C 269982a_100015187637_200000210301 [0,1,0,1,0,0|2,0,0]=4 17446 B10R1.1 CSCC1CCN(CC1)C 34a_100015187637_200000210301 [0,1,0,1,0,0|2,0,0]=4 17447 B10R1.1 CSCC1CCN(CC1)C 62a_100015183002_200000210301 [0,1,0,1,0,0|2,0,0]=4 17448 B10R1.1 CSCC1CCN(CC1)C 62a_200000210301_100015183002 [0,1,0,1,0,0|2,0,0]=4 17449 B10R1.1 CSCC1CCN(CC1)[13CH3] 2230a_100015187637_200025704644 [0,1,0,1,0,0|2,0,0]=4 17450 B10R1.1 CSCC1CCN(CC1)[13CH3] 269982a_100015187637_200025704644 [0,1,0,1,0,0|2,0,0]=4 17451 B10R1.1 CSCC1CCN(CC1)[13CH3] 34a_100015187637_200025704644 [0,1,0,1,0,0|2,0,0]=4 17452 B10R1.1 CSCN1CCS(=O)CC1 2230a_100000752083_100011218213 [0,1,0,1,0,0|2,0,0]=4 17453 B10R1.1 CSCN1CCS(=O)CC1 269982a_100000752083_100011218213 [0,1,0,1,0,0|2,0,0]=4 17454 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,1,0,1,0,0|1,0,0]=3 17455 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,1,0,1,0,0|1,0,0]=3 17456 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [0,1,0,1,0,0|2,0,0]=4 17457 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,1,0,1,0,0|2,0,0]=4 17458 B10R1.1 O=S1CCN(CC1)CCF 2230a_100000752083_100011217306 [0,1,0,1,0,0|2,0,0]=4 17459 B10R1.1 O=S1CCN(CC1)CCF 269982a_100000752083_100011217306 [0,1,0,1,0,0|2,0,0]=4 17460 B10R1.1 O=S1CCN(CC1)CCO 2230a_100000752083_100000211926 [0,1,0,1,0,0|2,0,0]=4 17461 B10R1.1 O=S1CCN(CC1)CCO 269982a_100000752083_100000211926 [0,1,0,1,0,0|2,0,0]=4 17462 B10R1.1 [13CH3]N1CCC(CC1)CCO 2230a_100015190746_200025704644 [0,1,0,1,0,0|2,0,0]=4 17463 B10R1.1 [13CH3]N1CCC(CC1)CCO 269982a_100015190746_200025704644 [0,1,0,1,0,0|2,0,0]=4 17464 B10R1.1 [13CH3]N1CCC(CC1)CCO 34a_100015190746_200025704644 [0,1,0,1,0,0|2,0,0]=4 17465 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|0,0,0]=2 17466 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,1,0,1,0,0|1,0,1]=4 17467 B10R1.2 CC1C(=O)NCCN1CF 269982a_100000750721_100015361967 [0,1,0,1,0,0|2,0,0]=4 17468 B10R1.2 CC1C(=O)NCCN1CF 34a_100000750721_100015361967 [0,1,0,1,0,0|2,0,0]=4 17469 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [0,1,0,1,0,0|1,0,1]=4 17470 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [0,1,0,1,0,0|1,0,1]=4 17471 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,1,0,1,0,0|0,0,2]=4 17472 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,1,0,1,0,0|0,0,2]=4 17473 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,1,0,1,0,0|1,0,0]=3 17474 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,1,0,1,0,0|1,0,0]=3 17475 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,1,0,1,0,0|1,0,0]=3 17476 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [0,1,0,1,0,0|1,0,1]=4 17477 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [0,1,0,1,0,0|1,0,1]=4 17478 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,1,0,1,0,0|0,0,2]=4 17479 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,1,0,1,0,0|0,0,2]=4 17480 B10R1.16 C#CCOC1CCC(=O)C1 34a_100012614533_100000184674 [0,1,0,1,0,0|0,0,2]=4 17481 B10R1.16 C=CCOC1CCC(=O)C1 34a_100012614533_100015514636 [0,1,0,1,0,0|0,0,2]=4 17482 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,1,0,1,0,0|0,0,2]=4 17483 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,1,0,1,0,0|0,0,2]=4 17484 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,1,0,1,0,0|1,0,1]=4 17485 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,1,0,1,0,0|1,0,1]=4 17486 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,1,0,1,0,0|1,0,1]=4 17487 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,1,0,1,0,0|1,0,1]=4 17488 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,1,0,1,0,0|1,0,1]=4 17489 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,1,0,1,0,0|1,0,1]=4 17490 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|1,0,0]=3 17491 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,1,0,1,0,0|1,0,1]=4 17492 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,1,0,1,0,0|0,0,2]=4 17493 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|1,0,0]=3 17494 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,1,0,1,0,0|0,0,2]=4 17495 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|0,0,0]=2 17496 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,1,0,1,0,0|1,0,1]=4 17497 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|1,0,0]=3 17498 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|2,0,0]=4 17499 B10R1.16 CCCSC1CCN(C1)C 62a_100000210303_200012183744 [0,1,0,1,0,0|2,0,0]=4 17500 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|2,0,0]=4 17501 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|1,0,0]=3 17502 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|1,0,0]=3 17503 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,1,0,0|2,0,0]=4 17504 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,1,0,0|1,0,0]=3 17505 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,1,0,0|1,0,0]=3 17506 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,1,0,0|1,0,0]=3 17507 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|2,0,0]=4 17508 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,1,0,0|1,0,0]=3 17509 B10R1.16 CCOCC1CCN(C1)C 34a_100121572206_200000690779 [0,1,0,1,0,0|2,0,0]=4 17510 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|1,0,0]=3 17511 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,1,0,0|2,0,0]=4 17512 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,1,0,0|2,0,0]=4 17513 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|2,0,0]=4 17514 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|2,0,0]=4 17515 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [0,1,0,1,0,0|2,0,0]=4 17516 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [0,1,0,1,0,0|2,0,0]=4 17517 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|2,0,0]=4 17518 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|2,0,0]=4 17519 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|2,0,0]=4 17520 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|2,0,0]=4 17521 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|1,0,0]=3 17522 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|1,0,0]=3 17523 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|2,0,0]=4 17524 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|2,0,0]=4 17525 B10R1.16 COCCN1CNC(=O)C1 2230a_200000708111_100011201679 [0,1,0,1,0,0|2,0,0]=4 17526 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,1,0,1,0,0|2,0,0]=4 17527 B10R1.16 CSCCN1CNC(=O)C1 2230a_200000708111_100000751147 [0,1,0,1,0,0|2,0,0]=4 17528 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,1,0,1,0,0|2,0,0]=4 17529 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,1,0,0|1,0,0]=3 17530 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,1,0,1,0,0|2,0,0]=4 17531 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,1,0,1,0,0|2,0,0]=4 17532 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,1,0,1,0,0|2,0,0]=4 17533 B10R1.16 O=C1CC(CN1)NCCF 2230a_100000697751_100011217306 [0,1,0,1,0,0|2,0,0]=4 17534 B10R1.16 O=C1CC(CN1)NCCO 2230a_100000697751_100000211926 [0,1,0,1,0,0|2,0,0]=4 17535 B10R1.16 O=C1CC(CN1)OCCF 34a_100000690082_100011217306 [0,1,0,1,0,0|2,0,0]=4 17536 B10R1.16 O=C1CC(CN1)OCCO 34a_100000690082_100000211926 [0,1,0,1,0,0|2,0,0]=4 17537 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,1,0,0|1,0,0]=3 17538 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,1,0,0|1,0,0]=3 17539 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,1,0,1,0,0|2,0,0]=4 17540 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,1,0,1,0,0|2,0,0]=4 17541 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,1,0,0|2,0,0]=4 17542 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,1,0,0|2,0,0]=4 17543 B10R1.16 O=C1CN(CN1)CCCF 2230a_200000708111_100011934791 [0,1,0,1,0,0|2,0,0]=4 17544 B10R1.16 O=C1CN(CN1)CCCO 2230a_200000708111_100000230001 [0,1,0,1,0,0|2,0,0]=4 17545 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,1,0,1,0,0|1,0,1]=4 17546 B10R1.37 C#CCCNC1CCC1=O 34a_100000755551_100009892977 [0,1,0,1,0,0|0,0,2]=4 17547 B10R1.37 C#CCCOC1CCC1=O 34a_100011215631_100009892977 [0,1,0,1,0,0|0,0,2]=4 17548 B10R1.37 C#CCCSC1CCC1=O 62a_100000688953_100009892977 [0,1,0,1,0,0|0,0,2]=4 17549 B10R1.37 C#CCCSC1CCC1=O 62a_100009892977_100000688953 [0,1,0,1,0,0|0,0,2]=4 17550 B10R1.37 C/C=C/COC1CCC1=O 34a_100016270725_100009892977 [0,1,0,1,0,0|0,0,2]=4 17551 B10R1.37 C/C=C/CSC1CCC1=O 62a_100009892977_100102629194 [0,1,0,1,0,0|0,0,2]=4 17552 B10R1.37 C/C=C/CSC1CCC1=O 62a_100102629194_100009892977 [0,1,0,1,0,0|0,0,2]=4 17553 B10R1.37 C=CCCOC1CCC1=O 34a_100011205117_100009892977 [0,1,0,1,0,0|0,0,2]=4 17554 B10R1.37 C=CCCSC1CCC1=O 62a_100000754431_100009892977 [0,1,0,1,0,0|0,0,2]=4 17555 B10R1.37 C=CCCSC1CCC1=O 62a_100009892977_100000754431 [0,1,0,1,0,0|0,0,2]=4 17556 B10R1.37 CC#CCNC1CCC1=O 34a_100000685387_100009892977 [0,1,0,1,0,0|0,0,2]=4 17557 B10R1.37 CC#CCOC1CCC1=O 34a_100000761923_100009892977 [0,1,0,1,0,0|0,0,2]=4 17558 B10R1.37 CC#CCSC1CCC1=O 62a_100000748600_100009892977 [0,1,0,1,0,0|0,0,2]=4 17559 B10R1.37 CC#CCSC1CCC1=O 62a_100009892977_100000748600 [0,1,0,1,0,0|0,0,2]=4 17560 B10R1.37 CC=CCSC1CCC1=O 62a_100000070051_100009892977 [0,1,0,1,0,0|0,0,2]=4 17561 B10R1.37 CC=CCSC1CCC1=O 62a_100009892977_100000070051 [0,1,0,1,0,0|0,0,2]=4 17562 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,1,0,1,0,0|1,0,1]=4 17563 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,1,0,1,0,0|1,0,1]=4 17564 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|0,0,0]=2 17565 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|0,0,0]=2 17566 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|0,0,0]=2 17567 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|0,0,0]=2 17568 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|0,0,0]=2 17569 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|0,0,0]=2 17570 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,1,0,1,0,0|1,0,0]=3 17571 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,1,0,1,0,0|1,0,0]=3 17572 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|0,0,0]=2 17573 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|0,0,0]=2 17574 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|1,0,0]=3 17575 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,1,0,0|1,0,0]=3 17576 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,1,0,0|1,0,0]=3 17577 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|1,0,0]=3 17578 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|1,0,0]=3 17579 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|1,0,0]=3 17580 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|1,0,0]=3 17581 B10R1.37 N#CCCSC1CCC1=O 62a_100009892977_100011215226 [0,1,0,1,0,0|1,0,1]=4 17582 B10R1.37 N#CCCSC1CCC1=O 62a_100011215226_100009892977 [0,1,0,1,0,0|1,0,1]=4 17583 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,1,0,0|1,0,0]=3 17584 B10R1.37 NOCCOC1CCC1=O 34a_100000700252_100009892977 [0,1,0,1,0,0|2,0,0]=4 17585 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,1,0,1,0,0|1,0,0]=3 17586 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,1,0,1,0,0|1,0,0]=3 17587 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,1,0,1,0,0|1,0,0]=3 17588 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,1,0,1,0,0|1,0,0]=3 17589 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,1,0,1,0,0|1,0,0]=3 17590 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,1,0,1,0,0|1,0,0]=3 17591 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,1,0,1,0,0|1,0,0]=3 17592 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,1,0,1,0,0|1,0,0]=3 17593 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|1,0,0]=3 17594 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|1,0,0]=3 17595 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,1,0,1,0,0|1,0,1]=4 17596 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,1,0,1,0,0|1,0,1]=4 17597 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,1,0,1,0,0|2,0,0]=4 17598 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,1,0,1,0,0|1,0,1]=4 17599 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,1,0,1,0,0|1,0,1]=4 17600 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,1,0,1,0,0|1,0,1]=4 17601 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,1,0,1,0,0|1,0,1]=4 17602 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,1,0,1,0,0|1,0,1]=4 17603 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,1,0,1,0,0|1,0,1]=4 17604 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,1,0,1,0,0|1,0,1]=4 17605 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,1,0,1,0,0|1,0,1]=4 17606 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,1,0,1,0,0|1,0,1]=4 17607 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,1,0,1,0,0|1,0,1]=4 17608 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,1,0,1,0,0|1,0,1]=4 17609 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|0,0,2]=4 17610 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|0,0,2]=4 17611 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|0,0,2]=4 17612 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|0,0,2]=4 17613 B10R1.57 CCCCNN=C1CCC1 4a_100025702795_100000241760 [0,1,0,1,0,0|2,0,0]=4 17614 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,1,0,1,0,0|1,0,1]=4 17615 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,1,0,1,0,0|1,0,1]=4 17616 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,1,0,1,0,0|1,0,1]=4 17617 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|0,0,2]=4 17618 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|0,0,2]=4 17619 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|0,0,2]=4 17620 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [0,1,0,1,0,0|2,0,0]=4 17621 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,1,0,1,0,0|1,0,1]=4 17622 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,1,0,1,0,0|1,0,1]=4 17623 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|0,0,2]=4 17624 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|0,0,2]=4 17625 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [0,1,0,1,0,0|2,0,0]=4 17626 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [0,1,0,1,0,0|2,0,0]=4 17627 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,1,0,1,0,0|2,0,0]=4 17628 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,1,0,1,0,0|2,0,0]=4 17629 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,1,0,1,0,0|2,0,0]=4 17630 B10R1.70 CCCCCNC1(CC1)C 2230a_100000757604_100000210326 [0,1,0,1,0,0|1,0,1]=4 17631 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [0,1,0,1,0,0|1,0,1]=4 17632 B10R1.70 CCCCNCC1(CC1)C 2230a_100000766693_100000210211 [0,1,0,1,0,0|1,0,1]=4 17633 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [0,1,0,1,0,0|0,0,2]=4 17634 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [0,1,0,1,0,0|1,0,1]=4 17635 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [0,1,0,1,0,0|1,0,1]=4 17636 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [0,1,0,1,0,0|1,0,1]=4 17637 B10R1.143 CCCCN1CC(C1)CC 2230a_100015205115_100000210211 [0,1,0,1,0,0|1,0,1]=4 17638 B10R1.143 CCCCN1CC(C1)CC 269982a_100015205115_100000210211 [0,1,0,1,0,0|1,0,1]=4 17639 B10R1.143 CCCNC1CN(C1)CC 2230a_200015199589_100000210303 [0,1,0,1,0,0|2,0,0]=4 17640 B10R1.143 CCCOC1CN(C1)CC 269982a_200020626125_100000204670 [0,1,0,1,0,0|2,0,0]=4 17641 B10R1.143 CCCOC1CN(C1)CC 34a_200020626125_100000210202 [0,1,0,1,0,0|2,0,0]=4 17642 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,1,0,1,0,0|2,0,0]=4 17643 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,1,0,1,0,0|2,0,0]=4 17644 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,1,0,1,0,0|2,0,0]=4 17645 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,1,0,1,0,0|1,0,1]=4 17646 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,1,0,1,0,0|1,0,1]=4 17647 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,1,0,1,0,0|1,0,1]=4 17648 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 17649 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 17650 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,1,0,1,0,0|2,0,0]=4 17651 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,1,0,1,0,0|2,0,0]=4 17652 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,1,0,1,0,0|1,0,1]=4 17653 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,1,0,1,0,0|1,0,1]=4 17654 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 17655 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 17656 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,1,0,1,0,0|1,0,1]=4 17657 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|1,0,1]=4 17658 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|1,0,1]=4 17659 B10R1.172 CCC1CN(CCO1)CC 2230a_100000736320_100000210202 [0,1,0,1,0,0|2,0,0]=4 17660 B10R1.172 CCC1CN(CCO1)CC 269982a_100000736320_100000204670 [0,1,0,1,0,0|2,0,0]=4 17661 B10R1.172 CCC1CN(CCO1)CC 34a_100000736320_100000210202 [0,1,0,1,0,0|2,0,0]=4 17662 B10R1.172 CCN1CCCC(C1)CF 2230a_100016992999_100000210202 [0,1,0,1,0,0|2,0,0]=4 17663 B10R1.172 CCN1CCCC(C1)CF 269982a_100016992999_100000204670 [0,1,0,1,0,0|2,0,0]=4 17664 B10R1.172 CCN1CCCC(C1)CF 34a_100016992999_100000210202 [0,1,0,1,0,0|2,0,0]=4 17665 B10R1.172 CCN1CCCC(C1)CO 2230a_100000211344_100000210202 [0,1,0,1,0,0|2,0,0]=4 17666 B10R1.172 CCN1CCCC(C1)CO 269982a_100000211344_100000204670 [0,1,0,1,0,0|2,0,0]=4 17667 B10R1.172 CCN1CCCC(C1)CO 34a_100000211344_100000210202 [0,1,0,1,0,0|2,0,0]=4 17668 B10R1.172 CCN1CCCC(C1)OC 2230a_100000695604_100000210202 [0,1,0,1,0,0|2,0,0]=4 17669 B10R1.172 CCN1CCCC(C1)OC 269982a_100000695604_100000204670 [0,1,0,1,0,0|2,0,0]=4 17670 B10R1.172 CCN1CCCC(C1)OC 34a_100000695604_100000210202 [0,1,0,1,0,0|2,0,0]=4 17671 B10R1.172 CCN1CCC[C@H](C1)NC 2230a_100025775482_200000210301 [0,1,0,1,0,0|2,0,0]=4 17672 B10R1.172 CCN1CCC[C@H](C1)N[13CH3] 2230a_100025775482_200025704644 [0,1,0,1,0,0|2,0,0]=4 17673 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|1,0,0]=3 17674 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|1,0,0]=3 17675 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [0,1,0,1,0,0|2,0,0]=4 17676 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|0,0,1]=3 17677 B10R1.23 C=C(C)C(=O)C1CCOC1 1458a_100000185857_100000690089 [0,1,0,1,0,0|1,0,1]=4 17678 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,1,0,1,0,0|0,0,2]=4 17679 B10R1.23 CC(C)C(=O)C1CC=CC1 1458a_100000759439_100000210206 [0,1,0,1,0,0|0,0,2]=4 17680 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,1,0,0|0,0,0]=2 17681 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,1,0,0|0,0,0]=2 17682 B10R1.23 CC(C)C(=O)C1CCCS1 1458a_100012002731_100000210206 [0,1,0,1,0,0|1,0,0]=3 17683 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,1,0,1,0,0|1,0,0]=3 17684 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,1,0,1,0,0|1,0,0]=3 17685 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,1,0,1,0,0|1,0,0]=3 17686 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,1,0,1,0,0|1,0,0]=3 17687 B10R1.23 CC(C)C(=O)N1CCSC1 11a_100011215254_100000210198 [0,1,0,1,0,0|2,0,0]=4 17688 B10R1.23 CC(C)C(=O)N1CCSC1 240690a_100011215254_100000210198 [0,1,0,1,0,0|2,0,0]=4 17689 B10R1.23 CC(C)C(=O)N1CCSC1 527a_100011215254_100000210198 [0,1,0,1,0,0|2,0,0]=4 17690 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,1,0,1,0,0|1,0,0]=3 17691 B10R1.23 CC(C)N(C)C1CCCC1 2230a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 17692 B10R1.23 CC(C)N(C)C1CCCC1 2230a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 17693 B10R1.23 CC(C)N(C)C1CCCC1 269982a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 17694 B10R1.23 CC(C)N(C)C1CCCC1 269982a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 17695 B10R1.23 CC(C)N(C)C1CCCC1 269982a_200000211004_100000179811 [0,1,0,1,0,0|2,0,0]=4 17696 B10R1.23 CC(C)N(C)C1CCCC1 270004a_200000211004_100000210133 [0,1,0,1,0,0|2,0,0]=4 17697 B10R1.23 CC(C)N(C)C1CCCC1 34a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 17698 B10R1.23 CC(C)N(C)C1CCCC1 34a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 17699 B10R1.23 CC(C)N([13CH3])C1CCCC1 2230a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 17700 B10R1.23 CC(C)N([13CH3])C1CCCC1 269982a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 17701 B10R1.23 CC(C)N([13CH3])C1CCCC1 34a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 17702 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,1,0,0|0,0,0]=2 17703 B10R1.23 CC(F)C(=O)C1CCOC1 1458a_100000062450_100000690089 [0,1,0,1,0,0|1,0,0]=3 17704 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,1,0,1,0,0|1,0,0]=3 17705 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,1,0,1,0,0|1,0,0]=3 17706 B10R1.23 CC(F)C(=O)N1CCSC1 11a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 17707 B10R1.23 CC(F)C(=O)N1CCSC1 240690a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 17708 B10R1.23 CC(F)C(=O)N1CCSC1 527a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 17709 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 17710 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 17711 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 17712 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 17713 B10R1.23 CN(C)C(=O)C1CCCS1 11a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 17714 B10R1.23 CN(C)C(=O)C1CCCS1 1626a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 17715 B10R1.23 CN(C)C(=O)C1CCCS1 240690a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 17716 B10R1.23 CN(C)C(=O)C1CCCS1 527a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 17717 B10R1.23 CN(C)C(=O)C1CCOC1 11a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 17718 B10R1.23 CN(C)C(=O)C1CCOC1 1626a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 17719 B10R1.23 CN(C)C(=O)C1CCOC1 240690a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 17720 B10R1.23 CN(C)C(=O)C1CCOC1 527a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 17721 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 11a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 17722 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 1626a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 17723 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 240690a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 17724 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 527a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 17725 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|0,0,0]=2 17726 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,1,0,0|1,0,0]=3 17727 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,1,0,1,0,0|1,0,0]=3 17728 B10R1.23 C[C@@H](O)C(=O)N1CCSC1 240690a_100011215254_100000717761 [0,1,0,1,0,0|2,0,0]=4 17729 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|0,0,0]=2 17730 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,1,0,0|1,0,0]=3 17731 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,1,0,1,0,0|1,0,0]=3 17732 B10R1.23 C[C@H](O)C(=O)N1CCSC1 240690a_100011215254_217856618621 [0,1,0,1,0,0|2,0,0]=4 17733 B10R1.23 O=C(C(F)F)N1CCCC1 240690a_100000188435_100000210393 [0,1,0,1,0,0|2,0,0]=4 17734 B10R1.23 O=C(C(F)F)N1CCCC1 527a_100000188435_100000210393 [0,1,0,1,0,0|2,0,0]=4 17735 B10R1.23 O=C(C(O)O)C1CCCC1 1458a_100000233687_100000179811 [0,1,0,1,0,0|1,0,0]=3 17736 B10R1.23 O=C(C(O)O)C1CCOC1 1458a_100000233687_100000690089 [0,1,0,1,0,0|2,0,0]=4 17737 B10R1.23 O=C(C(O)O)N1CCCC1 240690a_100000188435_100000233687 [0,1,0,1,0,0|2,0,0]=4 17738 B10R1.113 CC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 17739 B10R1.113 CC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 17740 B10R1.113 CC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 17741 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 17742 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 17743 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 17744 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 17745 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 17746 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 17747 B10R1.116 C=C(C)C(=O)N1CCC1C 11a_100000755817_100000185857 [0,1,0,1,0,0|1,0,1]=4 17748 B10R1.116 CC(C)C(=O)C1CCC1=O 1458a_100000210198_100009892977 [0,1,0,1,0,0|1,0,1]=4 17749 B10R1.116 CC(C)C(=O)N1CCC1C 11a_100000755817_100000210198 [0,1,0,1,0,0|1,0,0]=3 17750 B10R1.116 CC(C)C(=O)N1CCC1C 240690a_100000755817_100000210198 [0,1,0,1,0,0|1,0,0]=3 17751 B10R1.116 CC(C)C(=O)N1CCC1C 527a_100000755817_100000210198 [0,1,0,1,0,0|1,0,0]=3 17752 B10R1.116 CC(F)C(=O)C1CCC1=O 1458a_100000062450_100009892977 [0,1,0,1,0,0|1,0,1]=4 17753 B10R1.116 CC(F)C(=O)N1CCC1C 11a_100000755817_100000062450 [0,1,0,1,0,0|1,0,0]=3 17754 B10R1.116 CC(F)C(=O)N1CCC1C 240690a_100000755817_100000062450 [0,1,0,1,0,0|1,0,0]=3 17755 B10R1.116 CC(F)C(=O)N1CCC1C 527a_100000755817_100000062450 [0,1,0,1,0,0|1,0,0]=3 17756 B10R1.116 CC1CCN1C(=O)C(F)F 11a_100000755817_100000210393 [0,1,0,1,0,0|2,0,0]=4 17757 B10R1.116 CC1CCN1C(=O)C(F)F 240690a_100000755817_100000210393 [0,1,0,1,0,0|2,0,0]=4 17758 B10R1.116 CC1CCN1C(=O)C(F)F 527a_100000755817_100000210393 [0,1,0,1,0,0|2,0,0]=4 17759 B10R1.116 CC1CCN1C(=O)C(O)O 240690a_100000755817_100000233687 [0,1,0,1,0,0|2,0,0]=4 17760 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,1,0,1,0,0|1,0,0]=3 17761 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,1,0,1,0,0|1,0,0]=3 17762 B10R1.116 C[C@@H](O)C(=O)C1CCC1=O 1458a_100000717761_100009892977 [0,1,0,1,0,0|1,0,1]=4 17763 B10R1.116 C[C@H](O)C(=O)C1CCC1=O 1458a_217856618621_100009892977 [0,1,0,1,0,0|1,0,1]=4 17764 B10R1.155 CC(C)C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210206 [0,1,0,1,0,0|1,0,1]=4 17765 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,1,0,1,0,0|0,0,0]=2 17766 B10R1.155 CCC1CC1C(=O)N(C)C 11a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 17767 B10R1.155 CCC1CC1C(=O)N(C)C 1626a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 17768 B10R1.155 CCC1CC1C(=O)N(C)C 240690a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 17769 B10R1.155 CCC1CC1C(=O)N(C)C 527a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 17770 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210198 [0,1,0,1,0,0|2,0,0]=4 17771 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210198 [0,1,0,1,0,0|2,0,0]=4 17772 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210198 [0,1,0,1,0,0|2,0,0]=4 17773 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210198 [0,1,0,1,0,0|2,0,0]=4 17774 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210198 [0,1,0,1,0,0|2,0,0]=4 17775 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210198 [0,1,0,1,0,0|2,0,0]=4 17776 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000062450 [0,1,0,1,0,0|2,0,0]=4 17777 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000062450 [0,1,0,1,0,0|2,0,0]=4 17778 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 17779 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 17780 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 17781 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 17782 B10R1.190 C[C@@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000717761 [0,1,0,1,0,0|2,0,0]=4 17783 B10R1.190 C[C@@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000717761 [0,1,0,1,0,0|2,0,0]=4 17784 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_217856618621 [0,1,0,1,0,0|2,0,0]=4 17785 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_217856618621 [0,1,0,1,0,0|2,0,0]=4 17786 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_217856618621 [0,1,0,1,0,0|2,0,0]=4 17787 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|0,0,1]=3 17788 B10R1.204 C=C(C)C(=O)CC1CCO1 1458a_100000185857_100000103362 [0,1,0,1,0,0|1,0,1]=4 17789 B10R1.204 C=C(C)C(=O)CC1COC1 1458a_100000185857_100010264016 [0,1,0,1,0,0|1,0,1]=4 17790 B10R1.204 C=C(C)C(=O)NC1CCC1 11a_100000749019_100000185857 [0,1,0,1,0,0|1,0,1]=4 17791 B10R1.204 C=C(C)C(=O)NC1CCC1 1626a_100000749019_100000185857 [0,1,0,1,0,0|1,0,1]=4 17792 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|1,0,1]=4 17793 B10R1.204 CC(C)C(=O)C=C1CCC1 1458a_100000686340_100000210206 [0,1,0,1,0,0|0,0,2]=4 17794 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,1,0,1,0,0|0,0,0]=2 17795 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,1,0,1,0,0|0,0,0]=2 17796 B10R1.204 CC(C)C(=O)CC1CCO1 1458a_100000210198_100000103362 [0,1,0,1,0,0|1,0,0]=3 17797 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000210198_100010264016 [0,1,0,1,0,0|1,0,0]=3 17798 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000687760_100000210206 [0,1,0,1,0,0|1,0,0]=3 17799 B10R1.204 CC(C)C(=O)CN1CCC1 269982a_100000754969_100000753385 [0,1,0,1,0,0|1,0,0]=3 17800 B10R1.204 CC(C)C(=O)NC1CCC1 11a_100000749019_100000210198 [0,1,0,1,0,0|1,0,0]=3 17801 B10R1.204 CC(C)C(=O)NC1CCC1 1626a_100000749019_100000210198 [0,1,0,1,0,0|1,0,0]=3 17802 B10R1.204 CC(C)C(=O)NC1CCC1 240690a_100000749019_100000210198 [0,1,0,1,0,0|1,0,0]=3 17803 B10R1.204 CC(C)C(=O)NC1CCC1 527a_100000749019_100000210198 [0,1,0,1,0,0|1,0,0]=3 17804 B10R1.204 CC(C)C(=O)NC1COC1 11a_100016991112_100000210198 [0,1,0,1,0,0|2,0,0]=4 17805 B10R1.204 CC(C)C(=O)NC1COC1 1626a_100016991112_100000210198 [0,1,0,1,0,0|2,0,0]=4 17806 B10R1.204 CC(C)C(=O)NC1COC1 240690a_100016991112_100000210198 [0,1,0,1,0,0|2,0,0]=4 17807 B10R1.204 CC(C)C(=O)NC1COC1 527a_100016991112_100000210198 [0,1,0,1,0,0|2,0,0]=4 17808 B10R1.204 CC(C)C(=O)NC1CSC1 11a_100016994217_100000210198 [0,1,0,1,0,0|2,0,0]=4 17809 B10R1.204 CC(C)C(=O)NC1CSC1 1626a_100016994217_100000210198 [0,1,0,1,0,0|2,0,0]=4 17810 B10R1.204 CC(C)C(=O)NC1CSC1 240690a_100016994217_100000210198 [0,1,0,1,0,0|2,0,0]=4 17811 B10R1.204 CC(C)C(=O)NC1CSC1 527a_100016994217_100000210198 [0,1,0,1,0,0|2,0,0]=4 17812 B10R1.204 CC(C)N(C)CC1CCC1 2230a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 17813 B10R1.204 CC(C)N(C)CC1CCC1 269982a_200000211004_100000763275 [0,1,0,1,0,0|2,0,0]=4 17814 B10R1.204 CC(C)N(C)CC1CCC1 269982a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 17815 B10R1.204 CC(C)N(C)CC1CCC1 34a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 17816 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,1,0,1,0,0|0,0,0]=2 17817 B10R1.204 CC(F)C(=O)CC1CCO1 1458a_100000062450_100000103362 [0,1,0,1,0,0|1,0,0]=3 17818 B10R1.204 CC(F)C(=O)CC1COC1 1458a_100000062450_100010264016 [0,1,0,1,0,0|1,0,0]=3 17819 B10R1.204 CC(F)C(=O)NC1CCC1 11a_100000749019_100000062450 [0,1,0,1,0,0|1,0,0]=3 17820 B10R1.204 CC(F)C(=O)NC1CCC1 1626a_100000749019_100000062450 [0,1,0,1,0,0|1,0,0]=3 17821 B10R1.204 CC(F)C(=O)NC1CCC1 240690a_100000749019_100000062450 [0,1,0,1,0,0|1,0,0]=3 17822 B10R1.204 CC(F)C(=O)NC1CCC1 527a_100000749019_100000062450 [0,1,0,1,0,0|1,0,0]=3 17823 B10R1.204 CC(F)C(=O)NC1COC1 11a_100016991112_100000062450 [0,1,0,1,0,0|2,0,0]=4 17824 B10R1.204 CC(F)C(=O)NC1COC1 1626a_100016991112_100000062450 [0,1,0,1,0,0|2,0,0]=4 17825 B10R1.204 CC(F)C(=O)NC1COC1 240690a_100016991112_100000062450 [0,1,0,1,0,0|2,0,0]=4 17826 B10R1.204 CC(F)C(=O)NC1COC1 527a_100016991112_100000062450 [0,1,0,1,0,0|2,0,0]=4 17827 B10R1.204 CC(F)C(=O)NC1CSC1 11a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 17828 B10R1.204 CC(F)C(=O)NC1CSC1 1626a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 17829 B10R1.204 CC(F)C(=O)NC1CSC1 240690a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 17830 B10R1.204 CC(F)C(=O)NC1CSC1 527a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 17831 B10R1.204 CN(C)C(=O)CC1CCC1 11a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 17832 B10R1.204 CN(C)C(=O)CC1CCC1 1626a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 17833 B10R1.204 CN(C)C(=O)CC1CCC1 240690a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 17834 B10R1.204 CN(C)C(=O)CC1CCC1 527a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 17835 B10R1.204 CN(C)C(=O)CC1COC1 11a_100102631434_100000687760 [0,1,0,1,0,0|2,0,0]=4 17836 B10R1.204 CN(C)C(=O)CC1COC1 1626a_100102631434_100000687760 [0,1,0,1,0,0|2,0,0]=4 17837 B10R1.204 CN(C)C(=O)CN1CCC1 269982a_100000754969_100000185267 [0,1,0,1,0,0|2,0,0]=4 17838 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|0,0,0]=2 17839 B10R1.204 C[C@@H](O)C(=O)CC1CCO1 1458a_100000717761_100000103362 [0,1,0,1,0,0|1,0,0]=3 17840 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,1,0,1,0,0|1,0,0]=3 17841 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,1,0,1,0,0|1,0,0]=3 17842 B10R1.204 C[C@@H](O)C(=O)NC1COC1 240690a_100016991112_100000717761 [0,1,0,1,0,0|2,0,0]=4 17843 B10R1.204 C[C@@H](O)C(=O)NC1CSC1 240690a_100016994217_100000717761 [0,1,0,1,0,0|2,0,0]=4 17844 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|0,0,0]=2 17845 B10R1.204 C[C@H](O)C(=O)CC1CCO1 1458a_217856618621_100000103362 [0,1,0,1,0,0|1,0,0]=3 17846 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,1,0,1,0,0|1,0,0]=3 17847 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,1,0,1,0,0|1,0,0]=3 17848 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,1,0,1,0,0|1,0,0]=3 17849 B10R1.204 C[C@H](O)C(=O)NC1COC1 1626a_100016991112_217856618621 [0,1,0,1,0,0|2,0,0]=4 17850 B10R1.204 C[C@H](O)C(=O)NC1COC1 240690a_100016991112_217856618621 [0,1,0,1,0,0|2,0,0]=4 17851 B10R1.204 C[C@H](O)C(=O)NC1CSC1 1626a_100016994217_217856618621 [0,1,0,1,0,0|2,0,0]=4 17852 B10R1.204 C[C@H](O)C(=O)NC1CSC1 240690a_100016994217_217856618621 [0,1,0,1,0,0|2,0,0]=4 17853 B10R1.204 O=C(CC1CCC1)C(O)O 1458a_100000233687_100000763275 [0,1,0,1,0,0|1,0,0]=3 17854 B10R1.204 O=C(CC1CCO1)C(O)O 1458a_100000233687_100000103362 [0,1,0,1,0,0|2,0,0]=4 17855 B10R1.204 O=C(CC1COC1)C(O)O 1458a_100000233687_100010264016 [0,1,0,1,0,0|2,0,0]=4 17856 B10R1.204 O=C(NC1CCC1)C(F)F 11a_100000749019_100000210393 [0,1,0,1,0,0|2,0,0]=4 17857 B10R1.204 O=C(NC1CCC1)C(F)F 1626a_100000749019_100000210393 [0,1,0,1,0,0|2,0,0]=4 17858 B10R1.204 O=C(NC1CCC1)C(F)F 240690a_100000749019_100000210393 [0,1,0,1,0,0|2,0,0]=4 17859 B10R1.204 O=C(NC1CCC1)C(F)F 527a_100000749019_100000210393 [0,1,0,1,0,0|2,0,0]=4 17860 B10R1.204 O=C(NC1CCC1)C(O)O 240690a_100000749019_100000233687 [0,1,0,1,0,0|2,0,0]=4 17861 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|0,0,1]=3 17862 B10R1.205 C=C(C)C(=O)CCC1CO1 1458a_100000185857_100000732470 [0,1,0,1,0,0|1,0,1]=4 17863 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,1,0,1,0,0|1,0,1]=4 17864 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,1,0,1,0,0|1,0,1]=4 17865 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|1,0,1]=4 17866 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|1,0,1]=4 17867 B10R1.205 CC(C)C(=O)C=CC1CC1 1458a_100102529529_100000210206 [0,1,0,1,0,0|0,0,2]=4 17868 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|0,0,0]=2 17869 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|0,0,0]=2 17870 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,1,0,1,0,0|1,0,0]=3 17871 B10R1.205 CC(C)C(=O)CNC1CC1 34a_100000212008_100000753385 [0,1,0,1,0,0|1,0,0]=3 17872 B10R1.205 CC(C)C(=O)CSC1CC1 62a_100000753385_100000211595 [0,1,0,1,0,0|1,0,0]=3 17873 B10R1.205 CC(C)C(=O)NCC1CC1 11a_100000735609_100000210198 [0,1,0,1,0,0|1,0,0]=3 17874 B10R1.205 CC(C)C(=O)NCC1CC1 1626a_100000735609_100000210198 [0,1,0,1,0,0|1,0,0]=3 17875 B10R1.205 CC(C)C(=O)NCC1CC1 240690a_100000735609_100000210198 [0,1,0,1,0,0|1,0,0]=3 17876 B10R1.205 CC(C)C(=O)NCC1CC1 527a_100000735609_100000210198 [0,1,0,1,0,0|1,0,0]=3 17877 B10R1.205 CC(C)C(=O)NNC1CC1 22a_100000701032_100000210198 [0,1,0,1,0,0|2,0,0]=4 17878 B10R1.205 CC(C)N(C)CCC1CC1 269982a_200000211004_100000694398 [0,1,0,1,0,0|2,0,0]=4 17879 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,1,0,1,0,0|0,0,0]=2 17880 B10R1.205 CC(F)C(=O)CCC1CO1 1458a_100000062450_100000732470 [0,1,0,1,0,0|1,0,0]=3 17881 B10R1.205 CC(F)C(=O)NCC1CC1 11a_100000735609_100000062450 [0,1,0,1,0,0|1,0,0]=3 17882 B10R1.205 CC(F)C(=O)NCC1CC1 1626a_100000735609_100000062450 [0,1,0,1,0,0|1,0,0]=3 17883 B10R1.205 CC(F)C(=O)NCC1CC1 240690a_100000735609_100000062450 [0,1,0,1,0,0|1,0,0]=3 17884 B10R1.205 CC(F)C(=O)NCC1CC1 527a_100000735609_100000062450 [0,1,0,1,0,0|1,0,0]=3 17885 B10R1.205 CC(F)C(=O)NNC1CC1 22a_100000701032_100000062450 [0,1,0,1,0,0|2,0,0]=4 17886 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 17887 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 17888 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 17889 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 17890 B10R1.205 CN(C)C(=O)CNC1CC1 34a_100000212008_100000692301 [0,1,0,1,0,0|2,0,0]=4 17891 B10R1.205 CN(C)C(=O)CSC1CC1 62a_100000692301_100000211595 [0,1,0,1,0,0|2,0,0]=4 17892 B10R1.205 CN(C)C(=O)NCC1CC1 2708a_100000735609_100102631434 [0,1,0,1,0,0|2,0,0]=4 17893 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|0,0,0]=2 17894 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,1,0,1,0,0|1,0,0]=3 17895 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,1,0,1,0,0|1,0,0]=3 17896 B10R1.205 C[C@@H](O)C(=O)NNC1CC1 22a_100000701032_100000717761 [0,1,0,1,0,0|2,0,0]=4 17897 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|0,0,0]=2 17898 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,1,0,1,0,0|1,0,0]=3 17899 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,1,0,1,0,0|1,0,0]=3 17900 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,1,0,1,0,0|1,0,0]=3 17901 B10R1.205 C[C@H](O)C(=O)NNC1CC1 22a_100000701032_217856618621 [0,1,0,1,0,0|2,0,0]=4 17902 B10R1.205 O=C(CCC1CC1)C(O)O 1458a_100000233687_100000694398 [0,1,0,1,0,0|1,0,0]=3 17903 B10R1.205 O=C(CCC1CO1)C(O)O 1458a_100000233687_100000732470 [0,1,0,1,0,0|2,0,0]=4 17904 B10R1.205 O=C(NCC1CC1)C(F)F 11a_100000735609_100000210393 [0,1,0,1,0,0|2,0,0]=4 17905 B10R1.205 O=C(NCC1CC1)C(F)F 1626a_100000735609_100000210393 [0,1,0,1,0,0|2,0,0]=4 17906 B10R1.205 O=C(NCC1CC1)C(F)F 240690a_100000735609_100000210393 [0,1,0,1,0,0|2,0,0]=4 17907 B10R1.205 O=C(NCC1CC1)C(F)F 527a_100000735609_100000210393 [0,1,0,1,0,0|2,0,0]=4 17908 B10R1.205 O=C(NCC1CC1)C(O)O 240690a_100000735609_100000233687 [0,1,0,1,0,0|2,0,0]=4 17909 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 17910 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 17911 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 17912 B10R1.9 CCC(NC)C1CCCC1 269862a_106832991636_100011350732 [0,1,0,1,0,0|1,0,1]=4 17913 B10R1.9 CCC(NC)C1CCCC1 270004a_106832991635_100011350732 [0,1,0,1,0,0|1,0,1]=4 17914 B10R1.9 CCN(CC)C1CCCC1 2230a_100000724800_100000179811 [0,1,0,1,0,0|2,0,0]=4 17915 B10R1.9 CCN(CC)C1CCCC1 269956a_100000042499_100000179811 [0,1,0,1,0,0|2,0,0]=4 17916 B10R1.9 CCN(CC)C1CCCC1 269982a_100000724800_100000179811 [0,1,0,1,0,0|2,0,0]=4 17917 B10R1.9 CCN(CC)C1CCCC1 270004a_100000724800_100000210133 [0,1,0,1,0,0|2,0,0]=4 17918 B10R1.122 CCN(CC)CC1CCC1 2230a_100000724800_100000763275 [0,1,0,1,0,0|2,0,0]=4 17919 B10R1.122 CCN(CC)CC1CCC1 269956a_100000042499_100000763275 [0,1,0,1,0,0|2,0,0]=4 17920 B10R1.122 CCN(CC)CC1CCC1 269982a_100000724800_100000763275 [0,1,0,1,0,0|2,0,0]=4 17921 B10R1.123 CCN(CC)CCC1CC1 2230a_100000724800_100000694398 [0,1,0,1,0,0|2,0,0]=4 17922 B10R1.123 CCN(CC)CCC1CC1 269956a_100000042499_100000694398 [0,1,0,1,0,0|2,0,0]=4 17923 B10R1.123 CCN(CC)CCC1CC1 269982a_100000724800_100000694398 [0,1,0,1,0,0|2,0,0]=4 17924 B10R1.487 CCC1(CCCCC1)OC 34a_100011216009_200000210301 [0,1,0,1,0,0|0,0,2]=4 17925 B10R1.487 CCC1(CCCCC1)OC 7a_100011216009_200000210301 [0,1,0,1,0,0|0,0,2]=4 17926 B10R1.487 CCC1(CCCCC1)O[13CH3] 34a_100011216009_200025704644 [0,1,0,1,0,0|0,0,2]=4 17927 B10R1.487 CCC1(CCCCC1)O[13CH3] 7a_100011216009_200025704644 [0,1,0,1,0,0|0,0,2]=4 17928 B10R2.335 CN1CCC2(CC1)CC2 2230a_100000755616_200000210301 [0,0,0,2,0,0|2,0,0]=4 17929 B10R2.335 CN1CCC2(CC1)CC2 269982a_100000755616_200000210301 [0,0,0,2,0,0|2,0,0]=4 17930 B10R2.335 CN1CCC2(CC1)CC2 34a_100000755616_200000210301 [0,0,0,2,0,0|2,0,0]=4 17931 B10R2.335 [13CH3]N1CCC2(CC1)CC2 2230a_100000755616_200025704644 [0,0,0,2,0,0|2,0,0]=4 17932 B10R2.335 [13CH3]N1CCC2(CC1)CC2 269982a_100000755616_200025704644 [0,0,0,2,0,0|2,0,0]=4 17933 B10R2.335 [13CH3]N1CCC2(CC1)CC2 34a_100000755616_200025704644 [0,0,0,2,0,0|2,0,0]=4 17934 B10R2.99 CCN1CC2CCC1C2 2230a_100000743476_100000210202 [0,0,0,2,0,0|2,0,0]=4 17935 B10R2.99 CCN1CC2CCC1C2 269982a_100000743476_100000204670 [0,0,0,2,0,0|2,0,0]=4 17936 B10R2.99 CCN1CC2CCC1C2 34a_100000743476_100000210202 [0,0,0,2,0,0|2,0,0]=4 17937 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 17938 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 17939 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 17940 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 17941 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 17942 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 34a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 17943 B10R2.14 CN1CCC(C1)C2CC2 2230a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 17944 B10R2.14 CN1CCC(C1)C2CC2 269982a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 17945 B10R2.14 CN1CCC(C1)C2CC2 34a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 17946 B10R2.14 [13CH3]N1CCC(C1)C2CC2 2230a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 17947 B10R2.14 [13CH3]N1CCC(C1)C2CC2 269982a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 17948 B10R2.14 [13CH3]N1CCC(C1)C2CC2 34a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 17949 B10R2.332 CN1CCC2(C1)CCC2 2230a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 17950 B10R2.332 CN1CCC2(C1)CCC2 269982a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 17951 B10R2.332 CN1CCC2(C1)CCC2 34a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 17952 B10R2.332 [13CH3]N1CCC2(C1)CCC2 2230a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 17953 B10R2.332 [13CH3]N1CCC2(C1)CCC2 269982a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 17954 B10R2.332 [13CH3]N1CCC2(C1)CCC2 34a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 17955 B10R2.136 C1CCC(C1)N2CCC2 269982a_100000754969_100000179811 [0,0,0,2,0,0|2,0,0]=4 17956 B10R2.192 C1CC(C1)CN2CCC2 269982a_100000754969_100000763275 [0,0,0,2,0,0|2,0,0]=4 17957 B10R2.324 O=C1CCC1N2CCC2 269982a_100000754969_100009892977 [0,0,0,2,0,0|1,0,0]=3 17958 B10R2.411 C1CN(C1)CCC2CC2 269982a_100000754969_100000694398 [0,0,0,2,0,0|2,0,0]=4 17959 B10R2.403 CCN1CCC2(C1)CC2 2230a_100000697357_100000210202 [0,0,0,2,0,0|2,0,0]=4 17960 B10R2.403 CCN1CCC2(C1)CC2 269982a_100000697357_100000204670 [0,0,0,2,0,0|2,0,0]=4 17961 B10R2.403 CCN1CCC2(C1)CC2 34a_100000697357_100000210202 [0,0,0,2,0,0|2,0,0]=4 17962 B10R2.27 O=C1CCC1NC2CC2 34a_100000212008_100009892977 [0,0,0,2,0,0|1,0,0]=3 17963 B10R2.27 O=C1CCC1SC2CC2 62a_100009892977_100000211595 [0,0,0,2,0,0|1,0,0]=3 17964 B10R2.400 CCN1CC2(C1)CCC2 2230a_100000690493_100000210202 [0,0,0,2,0,0|2,0,0]=4 17965 B10R2.400 CCN1CC2(C1)CCC2 269982a_100000690493_100000204670 [0,0,0,2,0,0|2,0,0]=4 17966 B10R2.400 CCN1CC2(C1)CCC2 34a_100000690493_100000210202 [0,0,0,2,0,0|2,0,0]=4