0 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,0,0,0,0,0|1,1,1]=3 6 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.6 C=C(C#N)CSCSC 62a_100011218213_100000694840 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,0,0,0,0|2,0,1]=3 45 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,0,0,0,0,0|1,1,1]=3 48 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,0,0,0,0,0|2,1,1]=4 55 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,0,0,0,0,0|2,1,1]=4 56 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,0,0,0,0,0|2,1,1]=4 57 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,0,0,0,0,0|2,1,1]=4 58 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,0,0,0,0,0|2,1,1]=4 64 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,0,0,0,0,0|2,0,1]=3 65 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,0,0,0,0,0|2,0,1]=3 67 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,0,0,0,0,0|2,0,1]=3 68 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,0,0,0,0,0|2,0,2]=4 69 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,0,0,0,0,0|2,0,1]=3 70 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,0,0,0,0,0|2,0,1]=3 71 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,0,0,0,0,0|2,0,1]=3 74 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,0,0,0,0,0|2,0,1]=3 75 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,0,0,0,0,0|2,0,1]=3 76 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,0,0,0,0,0|2,0,1]=3 77 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,0,0,0,0,0|2,0,1]=3 90 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,0,0,0,0,0|2,0,1]=3 94 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,0,0,0,0,0|3,0,1]=4 102 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,0,0,0,0,0|2,0,1]=3 104 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,0,0,0,0,0|2,0,1]=3 105 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,0,0,0,0,0|3,0,1]=4 110 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,0,0,0,0|2,0,2]=4 115 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,0,0,0,0,0|2,0,2]=4 116 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,0,0,0,0,0|2,0,2]=4 117 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,0,0,0,0,0|2,0,2]=4 118 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,0,0,0,0,0|2,0,2]=4 119 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,0,0,0,0|2,0,2]=4 120 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,0,0,0,0,0|1,1,2]=4 122 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,0,0,0,0|3,0,0]=3 125 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,0,0,0,0,0|1,1,0]=2 128 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,0,0,0,0,0|1,1,0]=2 129 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,0,0,0,0,0|1,0,0]=1 130 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,0,0,0,0,0|4,0,0]=4 131 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,0,0,0,0,0|4,0,0]=4 132 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,0,0,0,0|4,0,0]=4 133 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,0,0,0,0|4,0,0]=4 134 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,0,0,0,0|4,0,0]=4 135 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,0,0,0,0,0|2,0,0]=2 136 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,0,0,0,0,0|4,0,0]=4 137 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,0,0,0,0,0|4,0,0]=4 138 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,0,0,0,0,0|4,0,0]=4 139 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,0,0,0,0,0|4,0,0]=4 140 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,0,0,0,0,0|4,0,0]=4 141 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,0,0,0,0|4,0,0]=4 142 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,0,0,0,0|4,0,0]=4 143 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,0,0,0,0|4,0,0]=4 144 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,0,0,0,0|4,0,0]=4 145 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,0,0,0,0|2,1,0]=3 146 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,0,0,0,0|2,1,0]=3 147 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,0,0,0,0|2,0,0]=2 148 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,0,0,0,0|2,0,0]=2 149 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,0,0,0,0,0|4,0,0]=4 150 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,0,0,0,0,0|4,0,0]=4 151 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,0,0,0,0,0|4,0,0]=4 152 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,0,0,0,0,0|4,0,0]=4 153 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,0,0,0,0|4,0,0]=4 154 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,0,0,0,0|4,0,0]=4 155 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,0,0,0,0|4,0,0]=4 156 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,0,0,0,0|4,0,0]=4 157 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,0,0,0,0|4,0,0]=4 158 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,0,0,0,0|4,0,0]=4 159 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,0,0,0,0,0|3,0,0]=3 160 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,0,0,0,0,0|3,0,0]=3 161 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,0,0,0,0,0|2,1,0]=3 162 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,0,0,0,0,0|2,1,0]=3 163 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,0,0,0,0,0|2,1,0]=3 164 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,0,0,0,0,0|2,1,0]=3 165 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,0,0,0,0,0|2,1,0]=3 166 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,0,0,0,0,0|2,1,0]=3 167 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,0,0,0,0,0|2,1,0]=3 168 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,0,0,0,0,0|2,0,0]=2 169 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,0,0,0,0,0|2,0,0]=2 170 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,0,0,0,0,0|2,0,0]=2 171 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,0,0,0,0,0|2,0,0]=2 172 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,0,0,0,0,0|2,1,0]=3 173 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,0,0,0,0,0|2,1,0]=3 174 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,0,0,0,0,0|2,1,1]=4 175 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,0,0,0,0,0|2,1,1]=4 176 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,0,0,0,0,0|3,0,1]=4 184 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,0,0,0,0,0|3,0,1]=4 185 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,0,0,0,0,0|2,0,2]=4 187 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,0,0,0,0,0|2,0,2]=4 188 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,0,0,0,0|2,0,2]=4 190 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,0,0,0,0,0|2,0,2]=4 191 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,0,0,0,0|2,0,2]=4 192 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,0,0,0,0,0|2,0,2]=4 193 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,0,0,0,0,0|2,0,2]=4 194 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,0,0,0,0,0|2,0,2]=4 195 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,0,0,0,0|2,0,0]=2 196 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,0,0,0,0|2,0,0]=2 197 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,0,0,0,0|3,0,0]=3 199 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,0,0,0,0|2,0,0]=2 200 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,0,0,0,0|2,0,0]=2 201 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,0,0,0,0|2,0,0]=2 202 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,0,0,0,0|2,0,0]=2 203 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,0,0,0,0,0|3,0,1]=4 205 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,0,0,0,0,0|3,0,1]=4 206 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,0,0,0,0,0|3,0,1]=4 207 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,0,0,0,0,0|3,0,1]=4 208 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,0,0,0,0,0|3,0,1]=4 209 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,0,0,0,0,0|2,0,1]=3 210 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,0,0,0,0,0|2,0,1]=3 211 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,0,0,0,0,0|2,0,1]=3 212 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,0,0,0,0,0|2,0,1]=3 213 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,0,0,0,0,0|2,0,1]=3 214 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,0,0,0,0,0|2,1,1]=4 215 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,0,0,0,0,0|2,1,1]=4 216 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,0,0,0,0,0|2,1,1]=4 217 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,0,0,0,0,0|2,1,1]=4 218 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,0,0,0,0,0|4,0,0]=4 219 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,0,0,0,0,0|4,0,0]=4 220 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,0,0,0,0,0|4,0,0]=4 221 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,0,0,0,0,0|4,0,0]=4 222 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,0,0,0,0|3,0,0]=3 223 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,0,0,0,0|3,0,0]=3 225 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,0,0,0,0|3,0,0]=3 226 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,0,0,0,0|4,0,0]=4 227 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,0,0,0,0|4,0,0]=4 228 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,0,0,0,0,0|3,0,0]=3 229 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,0,0,0,0,0|3,0,0]=3 230 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,0,0,0,0,0|3,0,0]=3 231 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,0,0,0,0,0|3,0,0]=3 232 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,0,0,0,0,0|3,0,0]=3 233 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,0,0,0,0,0|3,0,0]=3 234 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,0,0,0,0,0|3,0,0]=3 237 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,0,0,0,0,0|3,0,1]=4 238 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,0,0,0,0|4,0,0]=4 239 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,0,0,0,0,0|4,0,0]=4 240 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,0,0,0,0,0|4,0,0]=4 241 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,0,0,0,0,0|4,0,0]=4 242 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,0,0,0,0|3,0,0]=3 243 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,0,0,0,0|3,0,0]=3 244 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,0,0,0,0,0|4,0,0]=4 245 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,0,0,0,0,0|3,0,0]=3 246 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,0,0,0,0,0|3,0,0]=3 247 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,0,0,0,0,0|3,0,0]=3 248 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,0,0,0,0,0|3,0,0]=3 249 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,0,0,0,0,0|3,0,0]=3 250 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,0,0,0,0,0|3,0,0]=3 251 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,0,0,0,0,0|2,0,0]=2 252 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,0,0,0,0|3,0,0]=3 254 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,0,0,0,0|3,0,0]=3 255 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,0,0,0,0|3,0,0]=3 256 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,0,0,0,0|4,0,0]=4 257 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,0,0,0,0|3,0,0]=3 258 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,0,0,0,0|3,0,0]=3 259 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,0,0,0,0|3,0,0]=3 260 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,0,0,0,0|3,0,0]=3 261 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,0,0,0,0|3,0,0]=3 262 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,0,0,0,0|3,0,0]=3 263 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,0,0,0,0|2,0,0]=2 264 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,0,0,0,0|2,0,0]=2 265 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,0,0,0,0,0|4,0,0]=4 266 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,0,0,0,0,0|4,0,0]=4 267 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,0,0,0,0,0|3,1,0]=4 268 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,0,0,0,0,0|3,1,0]=4 269 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,0,0,0,0,0|3,1,0]=4 270 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,0,0,0,0,0|3,1,0]=4 271 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,0,0,0,0,0|3,0,0]=3 272 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,0,0,0,0,0|3,0,0]=3 273 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,0,0,0,0,0|3,0,0]=3 274 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,0,0,0,0,0|3,0,0]=3 275 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,0,0,0,0,0|3,0,0]=3 276 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,0,0,0,0,0|2,0,0]=2 277 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,0,0,0,0,0|3,0,1]=4 278 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,0,0,0,0|3,0,0]=3 279 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,0,0,0,0|3,0,0]=3 280 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,0,0,0,0,0|4,0,0]=4 281 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,0,0,0,0,0|4,0,0]=4 282 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,0,0,0,0,0|3,0,0]=3 283 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,0,0,0,0,0|3,0,0]=3 284 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,0,0,0,0,0|3,0,0]=3 285 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,0,0,0,0,0|3,0,0]=3 286 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,0,0,0,0,0|3,0,0]=3 287 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,0,0,0,0,0|3,0,0]=3 288 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,0,0,0,0,0|2,0,0]=2 289 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,0,0,0,0,0|3,0,1]=4 290 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,0,0,0,0|3,0,0]=3 291 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,0,0,0,0|3,0,0]=3 292 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,0,0,0,0,0|4,0,0]=4 293 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,0,0,0,0,0|4,0,0]=4 294 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,0,0,0,0,0|3,0,0]=3 295 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,0,0,0,0,0|3,0,0]=3 296 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,0,0,0,0,0|3,0,0]=3 297 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,0,0,0,0,0|3,0,0]=3 298 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,0,0,0,0,0|3,0,0]=3 299 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,0,0,0,0,0|3,0,0]=3 300 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,0,0,0,0,0|2,0,0]=2 301 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,0,0,0,0,0|2,0,0]=2 302 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,0,0,0,0,0|3,0,0]=3 303 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,0,0,0,0,0|3,0,1]=4 304 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,0,0,0,0,0|3,0,1]=4 305 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,0,0,0,0,0|1,1,2]=4 306 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,0,0,0,0,0|1,1,2]=4 307 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,0,0,0,0,0|1,1,2]=4 308 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,0,0,0,0,0|3,0,0]=3 309 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,0,0,0,0,0|3,0,0]=3 310 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,0,0,0,0,0|3,0,0]=3 311 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,0,0,0,0,0|3,0,0]=3 312 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,0,0,0,0,0|3,0,0]=3 313 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,0,0,0,0,0|2,0,0]=2 314 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,0,0,0,0,0|2,0,0]=2 315 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,0,0,0,0,0|1,1,0]=2 316 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,0,0,0,0,0|1,1,0]=2 317 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,0,0,0,0,0|1,1,0]=2 318 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,0,0,0,0,0|1,1,0]=2 319 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,0,0,0,0,0|1,1,0]=2 320 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,0,0,0,0,0|1,0,0]=1 321 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,0,0,0,0,0|1,0,0]=1 322 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,0,0,0,0,0|1,0,0]=1 323 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,0,0,0,0,0|1,0,0]=1 324 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,0,0,0,0,0|1,0,0]=1 325 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,0,0,0,0,0|1,0,0]=1 326 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,0,0,0,0,0|1,0,0]=1 327 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,0,0,0,0,0|1,0,0]=1 328 B8R0.6 CNC(=O)CCN=[N+]=[N-] 11a_106832991635_100000688302 [0,0,0,0,0,0|4,0,0]=4 329 B8R0.6 CNC(=O)CCN=[N+]=[N-] 240690a_100102657272_100000688302 [0,0,0,0,0,0|4,0,0]=4 330 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,0,0,0,0,0|4,0,0]=4 331 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,0,0,0,0,0|4,0,0]=4 332 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,0,0,0,0,0|4,0,0]=4 333 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,0,0,0,0,0|4,0,0]=4 334 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,0,0,0,0,0|4,0,0]=4 335 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,0,0,0,0,0|4,0,0]=4 336 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,0,0,0,0,0|4,0,0]=4 337 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,0,0,0,0,0|4,0,0]=4 338 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,0,0,0,0,0|4,0,0]=4 339 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,0,0,0,0,0|4,0,0]=4 340 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,0,0,0,0,0|4,0,0]=4 341 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,0,0,0,0,0|2,1,0]=3 342 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,0,0,0,0,0|2,0,0]=2 343 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,0,0,0,0,0|4,0,0]=4 344 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,0,0,0,0,0|4,0,0]=4 345 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,0,0,0,0,0|4,0,0]=4 346 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,0,0,0,0,0|4,0,0]=4 347 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,0,0,0,0,0|4,0,0]=4 348 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,0,0,0,0,0|4,0,0]=4 349 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,0,0,0,0,0|4,0,0]=4 350 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,0,0,0,0,0|2,0,0]=2 351 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,0,0,0,0,0|4,0,0]=4 352 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,0,0,0,0,0|4,0,0]=4 353 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,0,0,0,0,0|4,0,0]=4 354 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,0,0,0,0,0|4,0,0]=4 355 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,0,0,0,0,0|4,0,0]=4 356 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,0,0,0,0,0|4,0,0]=4 357 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,0,0,0,0,0|4,0,0]=4 358 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,0,0,0,0,0|4,0,0]=4 359 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,0,0,0,0,0|4,0,0]=4 360 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,0,0,0,0,0|4,0,0]=4 361 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,0,0,0,0,0|4,0,0]=4 362 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,0,0,0,0,0|2,1,0]=3 363 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,0,0,0,0,0|2,1,0]=3 364 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,0,0,0,0,0|2,0,0]=2 365 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,0,0,0,0,0|2,0,0]=2 366 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,0,0,0,0,0|4,0,0]=4 367 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,0,0,0,0,0|4,0,0]=4 368 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,0,0,0,0,0|4,0,0]=4 369 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,0,0,0,0,0|4,0,0]=4 370 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,0,0,0,0,0|4,0,0]=4 371 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,0,0,0,0,0|4,0,0]=4 372 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,0,0,0,0,0|4,0,0]=4 373 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,0,0,0,0,0|4,0,0]=4 374 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,0,0,0,0,0|4,0,0]=4 375 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,0,0,0,0,0|4,0,0]=4 376 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,0,0,0,0,0|4,0,0]=4 377 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,0,0,0,0,0|4,0,0]=4 378 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,0,0,0,0,0|4,0,0]=4 379 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,0,0,0,0,0|4,0,0]=4 380 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,0,0,0,0,0|4,0,0]=4 381 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,0,0,0,0,0|4,0,0]=4 382 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,0,0,0,0,0|3,0,0]=3 383 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,0,0,0,0,0|2,1,0]=3 384 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,0,0,0,0,0|2,1,0]=3 385 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,0,0,0,0,0|2,1,0]=3 386 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,0,0,0,0,0|2,0,0]=2 387 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,0,0,0,0,0|2,0,0]=2 388 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,0,0,0,0,0|2,0,0]=2 389 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,0,0,0,0,0|2,0,0]=2 390 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,0,0,0,0,0|2,0,0]=2 391 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,0,0,0,0,0|2,0,0]=2 392 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,0,0,0,0,0|2,1,0]=3 393 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,0,0,0,0,0|2,0,0]=2 394 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,0,0,0,0,0|2,0,0]=2 395 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,0,0,0,0,0|2,0,0]=2 396 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,0,0,0,0,0|2,0,0]=2 397 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,0,0,0,0,0|2,0,1]=3 398 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,0,0,0,0,0|1,0,2]=3 399 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,0,0,0,0,0|1,0,2]=3 400 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,0,0,0,0,0|1,0,2]=3 401 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,0,0,0,0,0|2,0,0]=2 402 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,0,0,0,0,0|2,0,0]=2 403 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,0,0,0,0,0|2,0,0]=2 404 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,0,0,0,0,0|2,0,0]=2 405 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,0,0,0,0,0|2,0,0]=2 406 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,0,0,0,0,0|1,0,0]=1 407 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,0,0,0,0,0|1,0,0]=1 408 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,0,0,0,0,0|1,0,0]=1 409 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,0,0,0,0,0|3,0,0]=3 410 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,0,0,0,0,0|3,0,0]=3 411 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,0,0,0,0,0|3,0,0]=3 412 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,0,0,0,0,0|0,0,2]=2 413 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,0,0,0,0,0|0,0,2]=2 414 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,0,0,0,0,0|0,0,2]=2 415 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,0,0,0,0,0|0,0,2]=2 416 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,0,0,0,0,0|0,0,0]=0 417 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,0,0,0,0,0|0,0,0]=0 418 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,0,0,0,0,0|0,0,0]=0 419 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,0,0,0,0,0|0,0,0]=0 420 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,0,0,0,0,0|3,0,0]=3 421 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,0,0,0,0,0|3,0,0]=3 422 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,0,0,0,0,0|3,0,0]=3 423 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,0,0,0,0,0|3,0,0]=3 424 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,0,0,0,0,0|3,0,0]=3 425 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,0,0,0,0,0|3,0,0]=3 426 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,0,0,0,0,0|3,0,0]=3 427 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,0,0,0,0,0|3,0,0]=3 428 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,0,0,0,0,0|3,0,0]=3 429 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,0,0,0,0,0|3,0,0]=3 430 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,0,0,0,0,0|3,0,0]=3 431 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,0,0,0,0,0|3,0,0]=3 432 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,0,0,0,0,0|3,0,0]=3 433 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,0,0,0,0,0|3,0,0]=3 434 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,0,0,0,0,0|3,0,0]=3 435 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,0,0,0,0,0|1,0,0]=1 436 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,0,0,0,0,0|1,0,0]=1 437 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,0,0,0,0,0|1,1,0]=2 438 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,0,0,0,0,0|1,1,0]=2 439 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,0,0,0,0,0|4,0,0]=4 440 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,0,0,0,0,0|2,0,1]=3 441 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,0,0,0,0,0|2,0,1]=3 442 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,0,0,0,0,0|2,0,1]=3 443 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,0,0,0,0,0|0,1,2]=3 444 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,0,0,0,0,0|2,1,0]=3 445 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,0,0,0,0,0|2,1,0]=3 446 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,0,0,0,0,0|2,1,0]=3 447 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,0,0,0,0,0|0,1,0]=1 448 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,0,0,0,0,0|1,1,1]=3 449 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,0,0,0,0,0|1,1,1]=3 450 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,0,0,0,0,0|1,1,1]=3 451 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,0,0,0,0,0|1,1,1]=3 452 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,0,0,0,0,0|3,1,0]=4 453 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,0,0,0,0,0|3,1,0]=4 454 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,0,0,0,0,0|1,1,0]=2 455 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,0,0,0,0,0|1,1,0]=2 456 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,0,0,0,0,0|2,1,1]=4 457 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,0,0,0,0,0|2,1,1]=4 458 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,0,0,0,0,0|2,1,1]=4 459 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,0,0,0,0,0|1,1,0]=2 460 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,0,0,0,0,0|1,1,0]=2 461 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,0,0,0,0,0|2,0,1]=3 462 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,0,0,0,0,0|2,0,0]=2 463 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,0,0,0,0,0|3,0,0]=3 464 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,0,0,0,0,0|3,0,0]=3 465 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,0,0,0,0,0|4,0,0]=4 466 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,0,0,0,0,0|4,0,0]=4 467 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,0,0,0,0,0|4,0,0]=4 468 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,0,0,0,0,0|4,0,0]=4 469 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,0,0,0,0|4,0,0]=4 470 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,0,0,0,0,0|2,1,0]=3 471 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 472 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,0,2]=4 473 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 474 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 475 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 476 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,2]=4 477 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,2]=4 478 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,2]=4 479 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,2]=4 480 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|3,0,0]=4 481 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|3,0,0]=4 482 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|3,0,0]=4 483 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|2,0,0]=3 484 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|3,0,0]=4 485 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|3,0,0]=4 486 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|2,1,0]=4 487 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|2,1,0]=4 488 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|2,0,0]=3 489 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|2,0,0]=3 490 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 491 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,2]=4 492 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 493 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 494 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 495 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,2]=4 496 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,2]=4 497 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,2]=4 498 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,2]=4 499 B7R0.1 CC#CCNCSC 2230a_100000685387_100011218213 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.1 CC#CCNCSC 34a_100000685387_100011218213 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,1,1]=4 508 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,1,1]=4 509 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,1,1]=4 510 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,1,1]=4 511 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,1,1]=4 512 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,1]=3 513 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,1]=3 514 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,1]=3 515 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,1]=3 516 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,1,0]=3 517 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,1,0]=3 518 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|3,0,0]=4 519 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|3,0,0]=4 520 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|3,0,0]=4 521 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|2,1,0]=4 522 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|2,1,0]=4 523 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|2,0,0]=3 524 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|2,0,0]=3 525 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 531 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,1]=3 532 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 533 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 534 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 535 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,1]=3 536 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,1]=3 537 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,1]=3 538 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,1]=3 539 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|3,0,0]=4 540 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|3,0,0]=4 541 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|3,0,0]=4 542 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|3,0,0]=4 543 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|3,0,0]=4 544 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|3,0,0]=4 545 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|3,0,0]=4 546 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,1]=4 547 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 548 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,1]=4 549 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 550 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 551 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 552 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 553 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 554 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,1]=4 555 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,1]=4 556 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,1]=4 564 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 565 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 569 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,1]=4 570 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,1]=4 571 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 572 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,1]=4 573 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 575 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,1]=4 577 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,1]=4 584 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,0]=3 585 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|3,0,0]=4 586 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|3,0,0]=4 587 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|3,0,0]=4 588 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|3,0,0]=4 589 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|3,0,0]=4 590 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|3,0,0]=4 591 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|3,0,0]=4 592 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|3,0,0]=4 593 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,1]=4 594 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,1]=4 599 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 601 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,0]=3 602 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,0]=3 603 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 604 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,0]=3 605 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,0]=3 606 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|3,0,0]=4 607 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|3,0,0]=4 608 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,1]=4 609 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,1]=4 610 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,1]=4 611 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,1]=4 612 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|1,0,1]=3 615 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|1,0,1]=3 616 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|1,0,1]=3 617 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,1]=4 623 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 624 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 625 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 626 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|2,0,1]=4 627 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|0,1,1]=3 628 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|0,1,1]=3 629 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|0,1,1]=3 630 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|0,0,1]=2 631 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|0,0,1]=2 632 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|0,0,1]=2 633 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|0,0,1]=2 634 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|0,0,1]=2 635 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|0,0,1]=2 636 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,0,0,0,0,0|1,1,1]=4 637 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|1,0,1]=3 638 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|1,0,1]=3 639 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|1,0,1]=3 640 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|1,0,1]=3 641 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|1,0,1]=3 642 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|1,0,1]=3 643 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,0,0,0,0,0|1,1,1]=4 644 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,0,0,0,0,0|1,1,1]=4 645 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|1,0,1]=3 646 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|1,0,1]=3 647 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|1,0,1]=3 648 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|1,0,1]=3 649 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|1,0,1]=3 650 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 651 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|2,0,1]=4 653 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|2,0,1]=4 654 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,1]=4 656 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 657 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|2,0,1]=4 658 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|0,0,1]=2 659 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|0,0,1]=2 660 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 661 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 662 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|1,1,1]=4 663 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|1,1,1]=4 664 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|1,1,1]=4 665 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|1,1,1]=4 666 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [1,0,0,0,0,0|2,0,1]=4 667 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 668 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 669 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 671 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 672 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 673 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 674 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 675 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 676 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|2,0,1]=4 677 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|2,0,1]=4 678 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,1]=4 679 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,1]=4 680 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 681 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|1,0,1]=3 683 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,0,0,0,0,0|2,0,1]=4 684 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|1,1,1]=4 685 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|1,1,1]=4 686 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|1,0,1]=3 687 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|1,0,2]=4 688 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|1,0,2]=4 689 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|1,0,2]=4 690 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 691 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 692 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 693 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|1,0,2]=4 694 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|1,0,1]=3 695 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|2,0,1]=4 696 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,1,1]=4 697 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|1,1,1]=4 698 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|1,0,1]=3 699 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|2,0,1]=4 701 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|1,0,2]=4 702 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|1,0,2]=4 703 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|1,0,2]=4 704 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 705 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 706 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 707 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|1,0,2]=4 708 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 709 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 710 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|1,0,2]=4 711 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|1,0,2]=4 712 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,2]=4 713 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 714 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 715 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 716 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|1,0,2]=4 717 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|2,0,1]=4 719 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,0]=3 720 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,1,0]=3 721 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,1,0]=3 722 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,1,0]=3 723 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,0]=2 724 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,0]=2 725 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|3,0,0]=4 726 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|3,0,0]=4 727 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|3,0,0]=4 728 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 729 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 730 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 731 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 732 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,1,0]=4 733 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,1,0]=4 734 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|1,0,2]=4 735 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|1,0,2]=4 736 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 737 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 738 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|1,0,0]=2 739 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|1,0,0]=2 740 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,0]=3 741 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|2,0,0]=3 742 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,0]=2 743 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 744 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 745 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 746 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,1]=4 747 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 748 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,1]=4 749 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,1]=4 750 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 751 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,1]=4 752 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|1,0,1]=3 753 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|1,0,1]=3 754 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|1,0,1]=3 755 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|1,0,1]=3 756 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|1,0,1]=3 757 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|1,1,1]=4 758 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|1,1,1]=4 759 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|1,1,1]=4 760 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|1,1,1]=4 761 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|3,0,0]=4 762 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|3,0,0]=4 763 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|3,0,0]=4 764 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|3,0,0]=4 765 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|3,0,0]=4 766 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|3,0,0]=4 767 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|3,0,0]=4 768 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|3,0,0]=4 769 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 770 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 771 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 772 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 773 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|3,0,0]=4 774 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|3,0,0]=4 775 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 776 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 777 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 778 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 779 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 780 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 781 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,0,0,0,0|2,0,1]=4 782 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,0,0,0,0|2,0,1]=4 783 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,0,0,0,0,0|3,0,0]=4 784 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,0,0,0,0,0|3,0,0]=4 785 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,0,0,0,0,0|3,0,0]=4 786 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,0,0,0,0,0|3,0,0]=4 787 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,0]=3 788 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,0]=3 789 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|1,0,0]=2 790 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,0,0,0,0,0|2,0,1]=4 791 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|3,0,0]=4 792 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 793 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 794 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 795 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|2,0,0]=3 796 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|2,0,0]=3 797 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|3,0,0]=4 798 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,0]=3 799 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 800 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 801 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,0]=3 802 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,0]=3 803 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 804 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|1,0,0]=2 805 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,0,0,0,0,0|2,0,1]=4 806 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,0,0,0,0,0|2,0,1]=4 807 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|2,0,0]=3 811 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|2,0,0]=3 812 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|2,0,0]=3 813 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|3,0,0]=4 814 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,0]=3 815 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 816 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 817 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 818 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,0]=3 819 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,0]=3 820 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|1,0,0]=2 821 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|1,0,0]=2 822 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|2,0,1]=4 823 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 827 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 828 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|1,1,0]=3 829 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|1,1,0]=3 830 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|1,1,0]=3 831 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|1,1,0]=3 832 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|1,1,0]=3 833 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|1,1,0]=3 834 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|1,1,0]=3 835 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|1,0,0]=2 836 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|1,0,0]=2 837 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|1,0,0]=2 838 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|1,0,0]=2 839 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|1,0,0]=2 840 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|1,0,0]=2 841 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|1,0,0]=2 842 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|1,0,0]=2 843 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,0,0,0,0,0|3,0,0]=4 844 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,0,0,0,0,0|3,0,0]=4 845 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,0,0,0,0,0|3,0,0]=4 846 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 847 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 848 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 849 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 850 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|2,1,0]=4 851 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|2,1,0]=4 852 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|2,1,0]=4 853 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|2,1,0]=4 854 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,0,0,0,0,0|2,0,1]=4 855 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 856 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 857 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 858 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,0]=3 859 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 860 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|1,0,0]=2 861 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|1,0,0]=2 862 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|1,0,0]=2 863 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|0,0,0]=1 864 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|0,0,0]=1 865 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|0,0,0]=1 866 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|0,0,0]=1 867 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|2,0,0]=3 868 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|2,0,0]=3 869 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|1,0,0]=2 870 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|1,0,0]=2 871 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 872 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 873 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,0,0,0,0,0|1,1,1]=4 874 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [1,0,0,0,0,0|2,0,1]=4 875 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [1,0,0,0,0,0|2,0,1]=4 876 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|2,1,0]=4 877 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|2,1,0]=4 878 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|0,1,0]=2 879 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,0,0,0,0,0|1,1,1]=4 880 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|2,0,0]=3 881 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|2,0,0]=3 882 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|3,0,0]=4 883 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|2,1,0]=4 884 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,1]=3 885 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,1]=3 886 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,1]=3 887 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|2,0,1]=4 888 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|2,0,1]=4 889 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|2,0,1]=4 890 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|2,0,1]=4 891 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|2,0,1]=4 892 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,0,0,0,0,0|2,0,1]=4 893 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,0,0,0,0,0|2,0,1]=4 894 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,0,0,0,0,0|2,0,1]=4 895 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 896 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 897 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 898 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 899 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 900 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 901 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 902 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,0,0,0,0,0|2,0,0]=3 903 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 904 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 905 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,0,0,0,0,0|2,1,0]=4 906 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,0,0,0,0,0|2,1,0]=4 907 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,0,0,0,0,0|2,0,0]=3 908 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,0,0,0,0,0|2,0,0]=3 909 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [1,0,0,0,0,0|2,0,1]=4 910 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [1,0,0,0,0,0|2,0,1]=4 911 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [1,0,0,0,0,0|2,0,1]=4 912 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,1]=3 913 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,1]=3 914 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,1]=3 915 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|2,0,1]=4 916 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|2,0,1]=4 917 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|2,0,1]=4 918 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|2,0,1]=4 919 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|2,0,1]=4 920 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,0,0,0,0|2,0,1]=4 921 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,0,0,0,0|2,0,1]=4 922 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,0,0,0,0|2,0,1]=4 923 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|2,0,1]=4 924 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|2,0,1]=4 925 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|2,0,1]=4 926 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|2,0,1]=4 927 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|1,0,1]=3 928 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|1,0,1]=3 929 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,0]=3 930 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,0]=3 931 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 932 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,0]=3 933 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,0]=3 934 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|0,1,0]=2 935 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|0,1,0]=2 936 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|0,0,0]=1 937 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|0,0,0]=1 938 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,0,0,0,0,0|3,0,0]=4 939 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 940 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 941 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 942 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 943 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|3,0,0]=4 944 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 945 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 946 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 947 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,0,0,0,0,0|3,0,0]=4 948 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|3,0,0]=4 949 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|3,0,0]=4 950 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|3,0,0]=4 951 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|3,0,0]=4 952 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 953 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 954 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 955 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 956 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|3,0,0]=4 957 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|3,0,0]=4 958 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,0]=3 959 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|1,1,0]=3 960 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|1,0,0]=2 961 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|1,0,0]=2 962 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|1,0,0]=2 963 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|1,0,0]=2 964 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 965 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 966 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|1,1,1]=4 967 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|1,1,1]=4 968 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|1,0,1]=3 969 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|1,0,1]=3 970 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,0,0,0,0,0|2,0,1]=4 971 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,0,0,0,0,0|2,0,1]=4 972 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,0,0,0,0,0|2,0,1]=4 973 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,0,0,0,0,0|2,0,1]=4 974 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|0,0,2]=3 975 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|0,0,2]=3 976 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 977 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 978 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 979 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 980 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 981 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 982 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 983 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 984 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 985 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 986 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 987 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 988 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|3,0,0]=4 989 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 990 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|3,0,0]=4 991 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 992 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 993 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 994 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 995 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 996 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,0]=3 997 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|3,0,0]=4 998 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,0]=3 999 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 1000 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 1001 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 1002 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|3,0,0]=4 1003 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 1004 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|2,0,1]=4 1005 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 1006 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|3,0,0]=4 1007 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|3,0,0]=4 1008 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 1009 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|2,0,1]=4 1010 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|2,0,1]=4 1011 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|3,0,0]=4 1012 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|3,0,0]=4 1013 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 1014 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 1015 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 1016 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 1017 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 1018 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|3,0,0]=4 1019 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 1020 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 1021 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 1022 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 1023 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 1024 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 1025 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 1026 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|3,0,0]=4 1027 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|3,0,0]=4 1028 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 1029 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 1030 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 1031 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|2,0,0]=3 1032 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 1033 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,1]=4 1034 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 1035 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,0]=2 1036 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,0]=2 1037 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1038 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1039 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 1040 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 1041 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 1042 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,1]=4 1043 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 1044 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 1045 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 1046 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,2]=4 1047 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 1048 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 1049 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,0]=3 1050 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,0]=3 1051 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 1052 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 1053 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1054 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 1055 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1056 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,0]=3 1057 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,0]=3 1058 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1059 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 1060 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|0,1,2]=4 1061 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|0,1,2]=4 1062 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|1,1,1]=4 1063 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|0,1,0]=2 1064 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|0,1,0]=2 1065 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|0,1,0]=2 1066 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|0,1,0]=2 1067 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|0,1,0]=2 1068 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|1,1,0]=3 1069 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|0,1,0]=2 1070 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|1,1,1]=4 1071 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|1,1,1]=4 1072 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|1,1,1]=4 1073 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|0,1,2]=4 1074 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|2,1,0]=4 1075 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|2,1,0]=4 1076 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|2,1,0]=4 1077 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|2,1,0]=4 1078 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|2,1,0]=4 1079 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|2,1,0]=4 1080 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|1,1,1]=4 1081 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|1,1,0]=3 1082 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|1,1,0]=3 1083 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|1,1,0]=3 1084 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|1,1,0]=3 1085 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|2,1,0]=4 1086 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|1,1,0]=3 1087 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|2,1,0]=4 1088 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|2,1,0]=4 1089 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|2,1,0]=4 1090 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|1,1,0]=3 1091 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|2,1,0]=4 1092 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|2,1,0]=4 1093 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|1,1,1]=4 1094 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|1,1,1]=4 1095 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,0]=3 1096 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|1,0,1]=3 1097 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|1,0,1]=3 1098 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [1,0,0,0,0,0|2,0,1]=4 1099 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [1,0,0,0,0,0|2,0,1]=4 1100 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|0,0,0]=1 1101 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|0,0,0]=1 1102 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|0,0,0]=1 1103 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|1,0,0]=2 1104 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|1,0,0]=2 1105 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|0,0,0]=1 1106 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|1,0,1]=3 1107 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|1,0,1]=3 1108 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|0,0,2]=3 1109 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|0,0,2]=3 1110 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|2,0,0]=3 1111 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|1,0,0]=2 1112 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|1,0,0]=2 1113 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|1,0,0]=2 1114 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|1,0,0]=2 1115 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|1,0,0]=2 1116 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|1,0,0]=2 1117 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|2,0,0]=3 1118 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|2,0,0]=3 1119 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,0,0,0,0,0|2,0,1]=4 1120 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,0,0,0,0,0|2,0,1]=4 1121 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,0,0,0,0,0|2,0,1]=4 1122 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|1,0,0]=2 1123 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|1,0,0]=2 1124 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|2,0,0]=3 1125 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|2,0,0]=3 1126 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,0,0,0,0,0|2,0,1]=4 1127 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,0,0,0,0,0|2,0,1]=4 1128 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,0,0,0,0,0|2,0,1]=4 1129 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,0,0,0,0,0|2,0,1]=4 1130 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,0,0,0,0,0|2,0,1]=4 1131 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,0,0,0,0,0|2,0,1]=4 1132 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,0,0,0,0,0|2,0,1]=4 1133 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,0,0,0,0,0|2,0,1]=4 1134 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,0,0,0,0,0|2,0,1]=4 1135 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|2,0,0]=3 1136 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|1,0,0]=2 1137 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,0,0,0,0,0|2,0,1]=4 1138 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,0,0,0,0,0|2,0,1]=4 1139 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,0,0,0,0|1,0,2]=4 1140 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,0,0,0,0|1,0,2]=4 1141 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|1,0,0]=2 1142 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,0,0,0,0,0|2,0,1]=4 1143 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,0,0,0,0,0|2,0,1]=4 1144 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,0,0,0,0,0|2,0,1]=4 1145 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,0,0,0,0,0|2,0,1]=4 1146 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,0,0,0,0,0|2,0,1]=4 1147 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|2,0,0]=3 1148 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|2,0,0]=3 1149 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|1,0,1]=3 1150 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|1,0,1]=3 1151 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,0,0,0,0,0|2,0,1]=4 1152 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,0,0,0,0,0|2,0,1]=4 1153 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,0,0,0,0,0|1,0,2]=4 1154 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,0,0,0,0,0|1,0,2]=4 1155 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,0,0,0,0,0|1,0,2]=4 1156 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,0,0,0,0,0|1,0,2]=4 1157 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [1,0,0,0,0,0|2,0,1]=4 1158 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|3,0,0]=4 1159 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|3,0,0]=4 1160 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|3,0,0]=4 1161 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|3,0,0]=4 1162 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,0]=3 1163 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,0]=3 1164 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,0,0,0,0,0|3,0,0]=4 1165 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 1166 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,0,0,0,0,0|3,0,0]=4 1167 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1168 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 1169 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|1,1,1]=4 1170 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|2,1,0]=4 1171 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|2,1,0]=4 1172 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [1,0,0,0,0,0|2,0,1]=4 1173 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [1,0,0,0,0,0|2,0,1]=4 1174 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|1,0,0]=2 1175 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|1,0,0]=2 1176 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|2,0,0]=3 1177 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|2,0,0]=3 1178 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|2,0,0]=3 1179 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|2,0,0]=3 1180 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,0,0,0,0|2,0,1]=4 1181 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,1,0,0,0,0|2,0,1]=4 1182 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,0|2,0,1]=4 1183 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,1,0,0,0,0|2,0,1]=4 1184 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,1,0,0,0,0|3,0,0]=4 1185 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,1,0,0,0,0|3,0,0]=4 1186 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,1,0,0,0,0|3,0,0]=4 1187 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,1,0,0,0,0|3,0,0]=4 1188 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,0|2,0,0]=3 1189 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,1,0,0,0,0|3,0,0]=4 1190 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,1,0,0,0,0|3,0,0]=4 1191 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,0|2,0,0]=3 1194 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,0|2,0,0]=3 1195 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,1,0,0,0,0|2,0,1]=4 1197 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,1,0,0,0,0|2,0,1]=4 1198 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|2,0,1]=4 1199 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,0|2,0,1]=4 1200 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|3,0,0]=4 1203 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|3,0,0]=4 1204 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|3,0,0]=4 1205 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|3,0,0]=4 1208 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|2,0,0]=3 1210 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,0|3,0,0]=4 1211 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|2,0,0]=3 1212 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|2,0,0]=3 1213 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|2,0,0]=3 1214 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|2,0,0]=3 1215 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,1,0,0,0,0|3,0,0]=4 1216 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|3,0,0]=4 1217 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|3,0,0]=4 1218 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|3,0,0]=4 1219 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|3,0,0]=4 1220 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|3,0,0]=4 1221 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|3,0,0]=4 1222 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|3,0,0]=4 1223 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|3,0,0]=4 1225 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|3,0,0]=4 1226 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|3,0,0]=4 1227 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|3,0,0]=4 1228 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|3,0,0]=4 1229 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|3,0,0]=4 1230 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|3,0,0]=4 1232 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|3,0,0]=4 1233 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|3,0,0]=4 1235 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|3,0,0]=4 1236 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|3,0,0]=4 1237 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|3,0,0]=4 1238 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,0,0,0,0|3,0,0]=4 1239 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,0,0,0,0|3,0,0]=4 1240 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,0|3,0,0]=4 1241 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|2,0,0]=3 1242 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|2,0,0]=3 1244 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|2,0,0]=3 1247 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|2,0,0]=3 1248 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,0|2,0,0]=3 1249 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 1250 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,0|2,0,0]=3 1251 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 1252 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,1,0,0,0,0|3,0,0]=4 1253 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1254 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1255 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,0|3,0,0]=4 1260 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,0|3,0,0]=4 1261 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,0|3,0,0]=4 1262 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,0|3,0,0]=4 1263 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,0|3,0,0]=4 1264 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,0|3,0,0]=4 1265 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,0|3,0,0]=4 1266 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,0|3,0,0]=4 1267 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,0|3,0,0]=4 1268 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,0|3,0,0]=4 1269 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,0,0,0,0|3,0,0]=4 1270 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,0,0,0,0|3,0,0]=4 1271 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,0|3,0,0]=4 1272 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,0|3,0,0]=4 1273 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,0|3,0,0]=4 1274 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,0|3,0,0]=4 1275 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,0|3,0,0]=4 1276 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,0|3,0,0]=4 1277 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|3,0,0]=4 1278 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|3,0,0]=4 1279 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|3,0,0]=4 1281 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,1,0,0,0,0|3,0,0]=4 1282 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,0|3,0,0]=4 1283 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,0|3,0,0]=4 1284 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,0|3,0,0]=4 1285 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,0|3,0,0]=4 1286 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,0|3,0,0]=4 1287 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,0|3,0,0]=4 1288 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,0|3,0,0]=4 1289 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,0|3,0,0]=4 1290 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|3,0,0]=4 1291 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,0|3,0,0]=4 1292 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,0|3,0,0]=4 1293 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|3,0,0]=4 1294 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,0|3,0,0]=4 1296 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|3,0,0]=4 1297 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|3,0,0]=4 1298 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|3,0,0]=4 1299 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|3,0,0]=4 1300 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|3,0,0]=4 1302 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|3,0,0]=4 1303 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|3,0,0]=4 1304 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|3,0,0]=4 1305 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|3,0,0]=4 1306 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|3,0,0]=4 1307 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|3,0,0]=4 1308 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|3,0,0]=4 1309 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|3,0,0]=4 1310 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,1,0,0,0,0|3,0,0]=4 1311 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,1,0,0,0,0|3,0,0]=4 1312 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,1,0,0,0,0|3,0,0]=4 1313 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,1,0,0,0,0|3,0,0]=4 1314 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,0,0,0,0|3,0,0]=4 1316 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,0|1,0,2]=4 1317 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,0|1,0,2]=4 1318 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|1,0,0]=2 1319 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|1,0,0]=2 1320 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|1,0,0]=2 1321 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,0|1,0,0]=2 1322 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,0|1,0,0]=2 1323 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,0|1,0,0]=2 1324 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,0|1,0,0]=2 1325 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|2,0,0]=3 1326 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,0|2,0,0]=3 1327 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,0|2,0,0]=3 1328 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,0|2,0,0]=3 1329 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,0|2,0,0]=3 1330 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,0|2,0,0]=3 1331 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,1,0,0,0,0|3,0,0]=4 1332 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,0|3,0,0]=4 1333 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,0|2,0,0]=3 1334 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,0|2,0,0]=3 1335 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|2,0,0]=3 1336 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,0]=3 1337 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,1,0,0,0,0|3,0,0]=4 1338 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,0|2,0,0]=3 1339 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,0|2,0,0]=3 1340 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,0|2,0,0]=3 1341 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,0|2,0,0]=3 1342 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,1,0,0,0,0|3,0,0]=4 1343 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,0|2,0,0]=3 1344 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,0|2,0,0]=3 1345 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,0|2,0,0]=3 1346 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,1,0,0,0,0|3,0,0]=4 1347 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,1,0,0,0,0|3,0,0]=4 1348 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,0|2,0,0]=3 1349 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,1,0,0,0,0|3,0,0]=4 1350 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,1,0,0,0,0|3,0,0]=4 1351 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,0|2,0,0]=3 1352 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,0|2,0,0]=3 1353 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|2,0,0]=3 1354 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|2,0,0]=3 1355 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,1,0,0,0,0|3,0,0]=4 1356 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,1,0,0,0,0|3,0,0]=4 1357 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|2,0,0]=3 1358 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|2,0,0]=3 1359 B9R0.1 COC(=O)CSC[N+](=O)[O-] 62a_100000747449_100000761209 [0,1,0,0,0,0|3,0,0]=4 1360 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,0|3,0,0]=4 1361 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|2,0,1]=4 1362 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|2,0,1]=4 1363 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|2,0,1]=4 1364 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|2,0,1]=4 1365 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,1,0,0,0,0|1,1,1]=4 1366 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,1,0,0,0,0|1,1,1]=4 1367 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,1,0,0,0,0|1,0,1]=3 1368 B9R0.5 C#CCC(=O)NCCSC 1626a_100020590264_100011220946 [0,1,0,0,0,0|2,0,1]=4 1369 B9R0.5 C#CCC(=O)NCCSC 527a_100020590264_100011220946 [0,1,0,0,0,0|2,0,1]=4 1370 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,1,0,0,0,0|2,0,1]=4 1371 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,1,0,0,0,0|2,0,1]=4 1372 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|2,0,1]=4 1373 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|2,0,1]=4 1374 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,1,0,0,0,0|2,0,1]=4 1375 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,1,0,0,0,0|2,0,1]=4 1376 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,1,0,0,0,0|1,0,1]=3 1378 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,1,0,0,0,0|1,1,1]=4 1379 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,1,0,0,0,0|2,0,1]=4 1384 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,1,0,0,0,0|2,0,1]=4 1387 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,1,0,0,0,0|2,0,1]=4 1388 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,1,0,0,0,0|2,0,1]=4 1390 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,0,0,0,0|1,1,1]=4 1393 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,0,0,0,0|1,1,1]=4 1394 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|1,0,1]=3 1395 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,1,0,0,0,0|2,0,1]=4 1396 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,1,0,0,0,0|2,0,1]=4 1397 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,1,0,0,0,0|2,0,1]=4 1398 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,1,0,0,0,0|2,0,1]=4 1399 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,1,0,0,0,0|2,0,1]=4 1400 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,1,0,0,0,0|2,0,1]=4 1401 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|2,0,1]=4 1402 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,1,0,0,0,0|2,0,1]=4 1405 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,1,0,0,0,0|2,0,1]=4 1406 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,1,0,0,0,0|1,0,1]=3 1407 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,1,0,0,0,0|1,1,1]=4 1408 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1409 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1410 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,1,0,0,0,0|2,0,1]=4 1413 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,1,0,0,0,0|2,0,1]=4 1414 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,1,0,0,0,0|2,0,1]=4 1415 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,1,0,0,0,0|2,0,1]=4 1416 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,1,0,0,0,0|2,0,1]=4 1417 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,1,0,0,0,0|2,0,1]=4 1418 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,1,0,0,0,0|2,0,1]=4 1419 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,1,0,0,0,0|2,0,1]=4 1420 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|2,0,1]=4 1421 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|2,0,1]=4 1422 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|2,0,1]=4 1423 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,1,0,0,0,0|1,1,1]=4 1424 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,1,0,0,0,0|1,1,1]=4 1425 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,1,0,0,0,0|1,0,1]=3 1426 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,1,0,0,0,0|1,0,1]=3 1427 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,1,0,0,0,0|3,0,0]=4 1429 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|2,0,0]=3 1430 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,1,0,0,0,0|3,0,0]=4 1431 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,1,0,0,0,0|3,0,0]=4 1432 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,1,0,0,0,0|1,1,0]=3 1433 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,1,0,0,0,0|3,0,0]=4 1435 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,1,0,0,0,0|2,0,1]=4 1436 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,1,0,0,0,0|2,0,1]=4 1437 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,1,0,0,0,0|2,0,1]=4 1438 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,0,0,0,0|1,0,2]=4 1439 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,1,0,0,0,0|3,0,0]=4 1440 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|2,0,0]=3 1441 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|3,0,0]=4 1442 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|1,1,0]=3 1444 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|3,0,0]=4 1445 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|3,0,0]=4 1446 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|3,0,0]=4 1447 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|3,0,0]=4 1448 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|3,0,0]=4 1449 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,1,0,0,0,0|2,1,0]=4 1450 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,1,0,0,0,0|2,1,0]=4 1451 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,1,0,0,0,0|2,0,0]=3 1452 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,1,0,0,0,0|2,0,0]=3 1453 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,1,0,0,0,0|2,0,0]=3 1454 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,1,0,0,0,0|1,0,2]=4 1455 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|3,0,0]=4 1456 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|3,0,0]=4 1457 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|3,0,0]=4 1458 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|3,0,0]=4 1459 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|1,1,0]=3 1461 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|1,1,0]=3 1462 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|1,0,0]=2 1463 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|3,0,0]=4 1464 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|3,0,0]=4 1465 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|3,0,0]=4 1466 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|3,0,0]=4 1467 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,1,0,0,0,0|2,1,0]=4 1468 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,1,0,0,0,0|2,1,0]=4 1469 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,1,0,0,0,0|2,0,0]=3 1470 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,1,0,0,0,0|2,0,0]=3 1471 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,1,0,0,0,0|2,1,0]=4 1472 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,1,0,0,0,0|2,1,0]=4 1473 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,1,0,0,0,0|2,1,0]=4 1474 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,1,0,0,0,0|2,0,0]=3 1475 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,1,0,0,0,0|2,0,0]=3 1476 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,1,0,0,0,0|2,0,0]=3 1477 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,1,0,0,0,0|2,0,0]=3 1478 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|2,0,1]=4 1479 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|2,0,1]=4 1480 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|2,0,1]=4 1481 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|2,0,1]=4 1482 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|2,0,1]=4 1483 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|2,0,0]=3 1484 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|2,0,0]=3 1485 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|2,0,0]=3 1486 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|2,0,0]=3 1487 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|2,0,0]=3 1488 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|2,0,0]=3 1489 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|2,0,0]=3 1490 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|2,0,0]=3 1491 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|1,0,0]=2 1492 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|1,0,0]=2 1493 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|1,1,0]=3 1494 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|1,1,0]=3 1495 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|1,1,0]=3 1496 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|1,1,0]=3 1497 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|1,1,0]=3 1498 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1499 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1500 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1501 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|2,0,0]=3 1502 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|2,0,1]=4 1503 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|2,0,1]=4 1504 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|2,0,1]=4 1505 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 1506 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 1507 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,1,0,0,0,0|3,0,0]=4 1508 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,1,0,0,0,0|3,0,0]=4 1509 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1510 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1511 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1512 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1513 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|3,0,0]=4 1514 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|3,0,0]=4 1515 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|3,0,0]=4 1516 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|3,0,0]=4 1517 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1518 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1519 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1520 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|2,0,0]=3 1521 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1522 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|2,1,0]=4 1523 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|2,1,0]=4 1524 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|2,1,0]=4 1525 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|2,1,0]=4 1526 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|2,1,0]=4 1527 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|2,1,0]=4 1528 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|2,1,0]=4 1529 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|2,1,0]=4 1530 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|3,0,0]=4 1531 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|3,0,0]=4 1532 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|3,0,0]=4 1533 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|3,0,0]=4 1534 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|3,0,0]=4 1535 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|3,0,0]=4 1536 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,1,0,0,0,0|3,0,0]=4 1537 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,1,0,0,0,0|3,0,0]=4 1538 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,1,0,0,0,0|3,0,0]=4 1539 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|3,0,0]=4 1540 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|3,0,0]=4 1541 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|3,0,0]=4 1542 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|2,0,0]=3 1543 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|2,1,0]=4 1544 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|2,1,0]=4 1545 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|2,1,0]=4 1546 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|2,1,0]=4 1547 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|3,0,0]=4 1548 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,1,0,0,0,0|3,0,0]=4 1549 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|3,0,0]=4 1550 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|3,0,0]=4 1551 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|3,0,0]=4 1552 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|3,0,0]=4 1553 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|3,0,0]=4 1554 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|3,0,0]=4 1555 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|3,0,0]=4 1556 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|3,0,0]=4 1557 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,1,0,0,0,0|3,0,0]=4 1558 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|2,0,0]=3 1559 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|3,0,0]=4 1560 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|3,0,0]=4 1561 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|3,0,0]=4 1562 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|3,0,0]=4 1563 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|3,0,0]=4 1564 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|3,0,0]=4 1565 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|3,0,0]=4 1566 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|3,0,0]=4 1567 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|3,0,0]=4 1568 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|3,0,0]=4 1569 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|3,0,0]=4 1570 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|3,0,0]=4 1571 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,1,0,0,0,0|3,0,0]=4 1572 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|2,0,0]=3 1573 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|2,0,0]=3 1574 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,1,0,0,0,0|3,0,0]=4 1575 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,1,0,0,0,0|3,0,0]=4 1576 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,1,0,0,0,0|3,0,0]=4 1577 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|1,1,0]=3 1578 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|1,1,0]=3 1579 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|1,1,0]=3 1580 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 1581 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 1582 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 1583 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|3,0,0]=4 1584 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|3,0,0]=4 1585 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|3,0,0]=4 1586 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|3,0,0]=4 1587 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|3,0,0]=4 1588 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|3,0,0]=4 1589 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|3,0,0]=4 1590 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|3,0,0]=4 1591 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,1,0,0,0,0|2,1,0]=4 1592 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,0,0,0,0|2,0,0]=3 1593 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,1,0,0,0,0|2,1,0]=4 1594 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,1,0,0,0,0|2,1,0]=4 1595 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,0,0,0,0|2,0,0]=3 1596 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,0,0,0,0|2,0,0]=3 1597 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,1,0,0,0,0|2,1,0]=4 1598 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,1,0,0,0,0|2,1,0]=4 1599 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,1,0,0,0,0|2,1,0]=4 1600 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 1601 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 1602 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 1603 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 1604 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 1605 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 1606 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,0,0,0,0|2,0,1]=4 1607 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|3,0,0]=4 1608 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|3,0,0]=4 1609 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|2,0,0]=3 1610 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,0,0,0,0|1,0,2]=4 1611 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,0,0,0,0|1,0,2]=4 1612 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,0,0,0,0|1,0,2]=4 1613 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,0,0,0,0|0,1,2]=4 1614 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,0,0,0,0|0,0,2]=3 1615 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,0,0,0,0|0,0,2]=3 1616 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,0,0,0,0|0,0,2]=3 1617 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,0,0,0,0|0,0,2]=3 1618 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,0]=2 1619 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,0]=2 1620 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,0]=2 1621 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|0,1,0]=2 1622 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|0,1,0]=2 1623 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|0,1,0]=2 1624 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|0,0,0]=1 1625 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|0,0,0]=1 1626 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|0,0,0]=1 1627 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|0,0,0]=1 1628 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|2,0,0]=3 1629 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|2,0,0]=3 1630 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,1,0,0,0,0|3,0,0]=4 1631 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,1,0,0,0,0|3,0,0]=4 1632 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|3,0,0]=4 1633 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|3,0,0]=4 1634 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|3,0,0]=4 1635 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|3,0,0]=4 1636 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|3,0,0]=4 1637 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,1,0,0,0,0|3,0,0]=4 1638 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,1,0,0,0,0|3,0,0]=4 1639 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,1,0,0,0,0|3,0,0]=4 1640 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,1,0,0,0,0|3,0,0]=4 1641 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|3,0,0]=4 1642 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|3,0,0]=4 1643 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|3,0,0]=4 1644 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|3,0,0]=4 1645 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|1,1,0]=3 1646 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|1,1,0]=3 1647 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|1,0,0]=2 1648 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|1,0,0]=2 1649 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|2,0,0]=3 1650 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|1,1,0]=3 1651 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|1,1,0]=3 1652 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|1,0,0]=2 1653 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|1,0,0]=2 1654 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|3,0,0]=4 1655 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|1,1,1]=4 1656 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|1,1,1]=4 1657 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|3,0,0]=4 1658 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|3,0,0]=4 1659 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|3,0,0]=4 1660 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|2,0,0]=3 1661 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,1,0,0,0,0|2,1,0]=4 1662 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,1,0,0,0,0|3,0,0]=4 1663 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|2,0,0]=3 1664 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|3,0,0]=4 1665 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|3,0,0]=4 1666 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|3,0,0]=4 1667 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|2,0,0]=3 1668 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,1,0,0,0,0|2,1,0]=4 1669 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,1,0,0,0,0|3,0,0]=4 1670 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,1,0,0,0,0|2,1,0]=4 1671 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,1,0,0,0,0|2,1,0]=4 1672 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,1,0,0,0,0|2,1,0]=4 1673 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,1,0,0,0,0|2,1,0]=4 1674 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,1,0,0,0,0|2,1,0]=4 1675 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,1,0,0,0,0|2,1,0]=4 1676 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,1,0,0,0,0|2,1,0]=4 1677 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,1,0,0,0,0|3,0,0]=4 1678 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,1,0,0,0,0|1,1,0]=3 1679 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,1,0,0,0,0|1,0,0]=2 1680 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,1,0,0,0,0|2,1,0]=4 1681 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,1,0,0,0,0|2,0,0]=3 1682 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,1,0,0,0,0|2,0,0]=3 1683 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,1,0,0,0,0|2,0,0]=3 1684 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,1,0,0,0,0|2,0,0]=3 1685 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|2,0,0]=3 1686 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|2,0,0]=3 1687 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1688 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1689 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1690 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1691 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,1,0,0,0,0|3,0,0]=4 1692 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,1,0,0,0,0|3,0,0]=4 1693 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,1,0,0,0,0|3,0,0]=4 1694 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,1,0,0,0,0|3,0,0]=4 1695 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,1,0,0,0,0|3,0,0]=4 1696 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,1,0,0,0,0|3,0,0]=4 1697 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,1,0,0,0,0|1,0,0]=2 1698 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,1,0,0,0,0|1,0,0]=2 1699 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,1,0,0,0,0|1,0,0]=2 1700 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,1,0,0,0,0|1,0,0]=2 1701 B9R0.5 COCC(C)NCCSC 2230a_100020590264_100000765312 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.5 COCC(C)NCCSC 270004a_100020590264_100000749346 [0,1,0,0,0,0|2,0,1]=4 1703 B9R0.5 COCC(C)OCCSC 34a_100000230434_100000765312 [0,1,0,0,0,0|2,0,1]=4 1704 B9R0.5 COCC(C)OCCSC 7a_100000230434_100000765312 [0,1,0,0,0,0|2,0,1]=4 1705 B9R0.5 COCC(C)SCCSC 62a_100000212216_100000765312 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.5 COCC(C)SCCSC 62a_100000765312_100000751147 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.5 COCC(N)COCSC 34a_100000724102_100011218213 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.5 COCC(O)CNCSC 2230a_100000756049_100011218213 [0,1,0,0,0,0|1,0,2]=4 1709 B9R0.5 COCC(O)CNCSC 34a_100000756049_100011218213 [0,1,0,0,0,0|1,0,2]=4 1710 B9R0.5 COCC(O)CSCSC 62a_100011215053_100011218213 [0,1,0,0,0,0|1,0,2]=4 1711 B9R0.5 COCC(O)CSCSC 62a_100011218213_100011215053 [0,1,0,0,0,0|1,0,2]=4 1712 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,0,0,0,0|1,1,1]=4 1713 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,0,0,0,0|1,1,1]=4 1714 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,0,0,0,0|1,1,1]=4 1715 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,1,0,0,0,0|1,1,1]=4 1716 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,1,0,0,0,0|1,1,1]=4 1717 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|1,1,0]=3 1718 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|1,1,0]=3 1719 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|1,1,0]=3 1720 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|0,1,0]=2 1721 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|0,2,0]=3 1722 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,1,0,0,0,0|1,1,1]=4 1723 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,1,0,0,0,0|1,1,1]=4 1724 B9R0.5 COCCCN(C)COC 2230a_100000224831_100000766300 [0,1,0,0,0,0|2,1,0]=4 1725 B9R0.5 COCCCN(C)COC 269982a_100000224831_100000766300 [0,1,0,0,0,0|2,1,0]=4 1726 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,1,0,0,0,0|2,1,0]=4 1727 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,1,0,0,0,0|2,1,0]=4 1728 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,1,0,0,0,0|1,1,0]=3 1729 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,1,0,0,0,0|1,1,0]=3 1730 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,1,0,0,0,0|1,1,0]=3 1731 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,1,0,0,0,0|1,1,0]=3 1732 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,1,0,0,0,0|1,2,0]=4 1733 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,1,0,0,0,0|1,2,0]=4 1734 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,1,0,0,0,0|1,2,0]=4 1735 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,1,0,0,0,0|1,2,0]=4 1736 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,1,0,0,0,0|1,2,0]=4 1737 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,1,0,0,0,0|1,2,0]=4 1738 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,1,0,0,0,0|1,2,0]=4 1739 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,1,0,0,0,0|1,1,0]=3 1740 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,1,0,0,0,0|1,2,0]=4 1741 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,1,0,0,0,0|1,2,0]=4 1742 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,1,0,0,0,0|1,2,0]=4 1743 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,1,0,0,0,0|1,2,0]=4 1744 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,1,0,0,0,0|2,1,0]=4 1745 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,1,0,0,0,0|2,1,0]=4 1746 B9R0.5 COC[C@@H](C)NCCSC 2230a_100000764878_100000751147 [0,1,0,0,0,0|2,0,1]=4 1747 B9R0.5 COC[C@@H](C)OCCSC 34a_100011934205_100000212216 [0,1,0,0,0,0|2,0,1]=4 1748 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,1,0,0,0,0|2,1,0]=4 1749 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|2,1,0]=4 1750 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|2,1,0]=4 1751 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,1,0,0,0,0|1,0,1]=3 1752 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|1,0,0]=2 1753 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|1,0,0]=2 1754 B9R0.5 CSCCNC(=O)C=CBr 1626a_100020590264_100016273825 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.5 CSCCNC(=O)C=CBr 240690a_100020590264_100016273825 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.5 CSCCNC(=O)C=CCl 11a_100020590264_200016279998 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.5 CSCCNC(=O)C=CCl 1626a_100020590264_200016279998 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.5 CSCCNC(=O)C=CCl 240690a_100020590264_200016279998 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.5 CSCCNC(=O)C=CI 1626a_100020590264_100016256311 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.5 CSCCNC(=O)CC#N 1626a_100020590264_100051588842 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.5 CSCCNC(=O)CC#N 240690a_100020590264_100051588842 [0,1,0,0,0,0|2,0,1]=4 1762 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,1,0,0,0,0|2,0,0]=3 1763 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,1,0,0,0,0|1,1,0]=3 1764 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,1,0,0,0,0|1,1,0]=3 1765 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,1,0,0,0,0|1,1,0]=3 1766 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,1,0,0,0,0|1,1,0]=3 1767 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,1,0,0,0,0|2,0,0]=3 1768 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,1,0,0,0,0|2,0,0]=3 1769 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,1,0,0,0,0|3,0,0]=4 1770 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,1,0,0,0,0|3,0,0]=4 1771 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,1,0,0,0,0|3,0,0]=4 1772 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|3,0,0]=4 1773 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|3,0,0]=4 1774 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|3,0,0]=4 1775 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|3,0,0]=4 1776 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,0,0,0,0|2,0,1]=4 1777 B9R0.8 C#CCNC(C)C(=O)OC 34a_100000212058_100000211248 [0,1,0,0,0,0|2,0,1]=4 1778 B9R0.8 C#CCOC(C)C(=O)OC 34a_100000210247_100000211248 [0,1,0,0,0,0|2,0,1]=4 1779 B9R0.8 C#CCOC(C)C(=O)OC 34a_100011215400_100000184674 [0,1,0,0,0,0|2,0,1]=4 1780 B9R0.8 C#CCSC(C)C(=O)OC 62a_100000038162_100000211248 [0,1,0,0,0,0|2,0,1]=4 1781 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,0,0,0,0|2,0,1]=4 1782 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|2,0,1]=4 1783 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.8 C=CC(=O)N(C)CCSC 1626a_100000686725_100000185746 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.8 C=CC(=O)N(C)CCSC 240690a_100000686725_200121576911 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [0,1,0,0,0,0|2,0,1]=4 1789 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [0,1,0,0,0,0|2,0,1]=4 1790 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [0,1,0,0,0,0|2,0,1]=4 1791 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [0,1,0,0,0,0|2,0,1]=4 1792 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [0,1,0,0,0,0|2,0,1]=4 1793 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,1,0,0,0,0|2,1,0]=4 1794 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,1,0,0,0,0|2,1,0]=4 1795 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,1,0,0,0,0|2,0,0]=3 1796 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,1,0,0,0,0|2,0,0]=3 1797 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|1,0,0]=2 1798 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,1,0,0,0,0|2,1,0]=4 1799 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,1,0,0,0,0|2,1,0]=4 1800 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,1,0,0,0,0|2,1,0]=4 1801 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,1,0,0,0,0|2,1,0]=4 1802 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,0,0,0,0|2,0,0]=3 1803 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,0,0,0,0|2,0,0]=3 1804 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,0,0,0,0|2,0,0]=3 1805 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,0,0,0,0|2,0,0]=3 1806 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|2,0,0]=3 1808 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|2,0,0]=3 1809 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|3,0,0]=4 1810 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|3,0,0]=4 1811 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|2,0,0]=3 1812 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|2,0,0]=3 1813 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|2,0,0]=3 1814 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|2,0,0]=3 1815 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|2,0,0]=3 1816 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|3,0,0]=4 1817 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|2,0,0]=3 1818 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|2,0,0]=3 1819 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|3,0,0]=4 1820 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|3,0,0]=4 1821 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|3,0,0]=4 1822 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|3,0,0]=4 1823 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|3,0,0]=4 1824 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|3,0,0]=4 1825 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,0,0,0,0|3,0,0]=4 1830 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,0,0,0,0|3,0,0]=4 1831 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,0,0,0,0|3,0,0]=4 1832 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|2,0,0]=3 1833 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|2,0,0]=3 1834 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,1,0,0,0,0|3,0,0]=4 1835 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|3,0,0]=4 1836 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|3,0,0]=4 1837 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,0,0,0,0|3,0,0]=4 1838 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,0,0,0,0|3,0,0]=4 1839 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|2,0,0]=3 1840 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|2,0,0]=3 1841 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,0,0,0,0|3,0,0]=4 1842 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,0,0,0,0|3,0,0]=4 1843 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,0,0,0,0|3,0,0]=4 1844 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,0,0,0,0|3,0,0]=4 1845 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,1]=4 1846 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|2,0,0]=3 1847 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|2,0,0]=3 1848 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|2,0,0]=3 1849 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|2,0,0]=3 1850 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|2,0,0]=3 1851 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|2,0,1]=4 1852 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|2,0,1]=4 1853 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|2,0,0]=3 1854 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|2,0,0]=3 1855 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|1,1,1]=4 1856 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|1,0,1]=3 1857 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,1,0,0,0,0|2,1,0]=4 1858 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,1,0,0,0,0|2,1,0]=4 1859 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,1,0,0,0,0|2,0,0]=3 1860 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,1,0,0,0,0|2,0,0]=3 1861 B9R0.8 CNC(=O)C(F)SCOC 62a_100000766300_100009813575 [0,1,0,0,0,0|2,1,0]=4 1862 B9R0.8 CNC(=O)C(F)SCOC 62a_100009813575_100000766300 [0,1,0,0,0,0|2,1,0]=4 1863 B9R0.8 CNC(=O)C(F)SCSC 62a_100009813575_100011218213 [0,1,0,0,0,0|2,0,0]=3 1864 B9R0.8 CNC(=O)C(F)SCSC 62a_100011218213_100009813575 [0,1,0,0,0,0|2,0,0]=3 1865 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,1,0,0,0,0|1,0,0]=2 1866 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,1,0,0,0,0|2,1,0]=4 1867 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,1,0,0,0,0|2,1,0]=4 1868 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,1,0,0,0,0|2,0,0]=3 1869 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,1,0,0,0,0|2,0,0]=3 1870 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,1,0,0,0,0|2,1,0]=4 1871 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,1,0,0,0,0|2,0,0]=3 1872 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,1,0,0,0,0|2,0,0]=3 1873 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|1,0,0]=2 1874 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|1,0,0]=2 1875 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|1,0,0]=2 1876 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|0,0,0]=1 1877 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|0,0,0]=1 1878 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|0,0,0]=1 1879 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|0,0,0]=1 1880 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,1,0,0,0,0|3,0,0]=4 1881 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,1,0,0,0,0|3,0,0]=4 1882 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,1,0,0,0,0|3,0,0]=4 1883 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,0,0,0,0|3,0,0]=4 1885 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,0,0,0,0|3,0,0]=4 1886 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,0,0,0,0|3,0,0]=4 1887 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [0,1,0,0,0,0|3,0,0]=4 1888 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,0,0,0,0|3,0,0]=4 1889 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,0,0,0,0|3,0,0]=4 1890 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,0,0,0,0|3,0,0]=4 1891 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,0,0,0,0|3,0,0]=4 1892 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,1,0,0,0,0|1,0,0]=2 1893 B9R0.8 COC(=O)C(C)SCC#N 62a_100000211248_100011215382 [0,1,0,0,0,0|3,0,0]=4 1894 B9R0.8 COC(=O)C(C)SCC#N 62a_100011215382_100000211248 [0,1,0,0,0,0|3,0,0]=4 1895 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [0,1,0,0,0,0|3,0,0]=4 1896 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [0,1,0,0,0,0|3,0,0]=4 1897 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,0,0,0,0|3,0,0]=4 1898 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,0,0,0,0|3,0,0]=4 1899 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,0,0,0,0|3,0,0]=4 1900 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,0,0,0,0|3,0,0]=4 1901 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,0,0,0,0|1,0,0]=2 1902 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,0,0,0,0|1,0,0]=2 1903 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,1,0,0,0,0|3,0,0]=4 1904 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,1,0,0,0,0|3,0,0]=4 1905 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|1,0,2]=4 1906 B9R0.8 COC(C)N(C)CCSC 269982a_100000686725_100009879195 [0,1,0,0,0,0|2,0,1]=4 1907 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|0,1,0]=2 1908 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,1,0,0,0,0|1,1,0]=3 1909 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,1,0,0,0,0|1,1,0]=3 1910 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,1,0,0,0,0|2,0,0]=3 1911 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,1,0,0,0,0|3,0,0]=4 1912 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,1,0,0,0,0|3,0,0]=4 1913 B9R0.8 CSCOC(C)C(=O)NN 34a_100000725659_100011218213 [0,1,0,0,0,0|3,0,0]=4 1914 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [0,1,0,0,0,0|3,0,0]=4 1915 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [0,1,0,0,0,0|3,0,0]=4 1916 B9R0.20 CCS(=O)(=O)NCCSC 270084a_100020590264_100000211323 [0,1,0,0,0,0|3,0,0]=4 1917 B9R0.20 CCS(=O)(=O)NCCSC 274078a_100020590264_100000211323 [0,1,0,0,0,0|3,0,0]=4 1918 B9R0.20 CCS(=O)(=O)NCCSC 40a_100020590264_100000053943 [0,1,0,0,0,0|3,0,0]=4 1919 B9R0.20 COC(C)(C)CNCSC 2230a_100000763424_100011218213 [0,1,0,0,0,0|2,0,1]=4 1920 B9R0.20 COC(C)(C)CSCSC 62a_100000701081_100011218213 [0,1,0,0,0,0|2,0,1]=4 1921 B9R0.20 COC(C)(C)CSCSC 62a_100011218213_100000701081 [0,1,0,0,0,0|2,0,1]=4 1922 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,1,0,0,0,0|2,0,1]=4 1923 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,1,0,0,0,0|2,0,1]=4 1924 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,1,0,0,0,0|2,0,1]=4 1925 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,1,0,0,0,0|2,0,1]=4 1926 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,1,0,0,0,0|2,0,1]=4 1927 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,1,0,0,0,0|2,0,1]=4 1928 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,1,0,0,0,0|2,0,1]=4 1929 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,0,0,0,0|2,0,1]=4 1930 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|1,0,1]=3 1931 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,0|2,0,0]=3 1932 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,0,0,0,0|3,0,0]=4 1933 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,0,0,0,0|3,0,0]=4 1934 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,0|2,0,1]=4 1935 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,0|3,0,0]=4 1936 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,0|3,0,0]=4 1937 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,0|3,0,0]=4 1938 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,0|3,0,0]=4 1939 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,1,0,0,0,0|2,1,0]=4 1940 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,1,0,0,0,0|2,1,0]=4 1941 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,0|2,0,1]=4 1942 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,0|3,0,0]=4 1943 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,0|3,0,0]=4 1944 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,0|3,0,0]=4 1945 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,0|3,0,0]=4 1946 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,0,0,0,0|3,0,0]=4 1947 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,0,0,0,0|3,0,0]=4 1948 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,0,0,0,0|3,0,0]=4 1949 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,1,0,0,0,0|2,1,0]=4 1950 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,1,0,0,0,0|2,1,0]=4 1951 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,1,0,0,0,0|2,1,0]=4 1952 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,1,0,0,0,0|2,1,0]=4 1953 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,0|3,0,0]=4 1954 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,0|2,0,0]=3 1955 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,0|2,0,0]=3 1956 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,0|2,0,0]=3 1957 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,0|2,0,0]=3 1958 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,1,0,0,0,0|2,0,1]=4 1959 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,1,0,0,0,0|2,0,1]=4 1960 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,0,0,0,0|3,0,0]=4 1961 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,0,0,0,0|3,0,0]=4 1962 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,0,0,0,0|3,0,0]=4 1963 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,0,0,0,0|3,0,0]=4 1964 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,0,0,0,0|3,0,0]=4 1965 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,0,0,0,0|3,0,0]=4 1966 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,1,0,0,0,0|3,0,0]=4 1967 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,1,0,0,0,0|3,0,0]=4 1968 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,0|2,0,0]=3 1969 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,1,0,0,0,0|3,0,0]=4 1970 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,1,0,0,0,0|3,0,0]=4 1971 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,0|2,0,0]=3 1972 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,1,0,0,0,0|3,0,0]=4 1973 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,1,0,0,0,0|3,0,0]=4 1974 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,0|2,0,0]=3 1975 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,0|2,0,0]=3 1976 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,0|2,0,0]=3 1977 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,0|2,0,0]=3 1978 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,0,0,0,0|3,0,0]=4 1979 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,0,0,0,0|3,0,0]=4 1980 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,0,0,0,0|3,0,0]=4 1981 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,1,0,0,0,0|3,0,0]=4 1983 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,1,0,0,0,0|3,0,0]=4 1984 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,1,0,0,0,0|3,0,0]=4 1985 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,1,0,0,0,0|3,0,0]=4 1986 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,1,0,0,0,0|3,0,0]=4 1987 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,0|2,0,0]=3 1988 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,0|2,0,0]=3 1989 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,0|2,0,0]=3 1990 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,0|2,0,0]=3 1991 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,0|2,0,0]=3 1992 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,0|2,0,0]=3 1993 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,0|2,0,0]=3 1994 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,1,0,0,0,0|3,0,0]=4 1995 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 1996 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 1997 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 1998 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,1,0,0,0,0|2,0,1]=4 1999 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 2000 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 2001 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 2002 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,1,0,0,0,0|1,0,1]=3 2003 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,1,0,0,0,0|1,0,1]=3 2004 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,1,0,0,0,0|1,0,1]=3 2005 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,1,0,0,0,0|1,0,1]=3 2006 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,1,0,0,0,0|2,0,1]=4 2007 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 2008 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 2009 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 2010 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,1,0,0,0,0|2,1,0]=4 2011 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,1,0,0,0,0|2,1,0]=4 2012 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,1,0,0,0,0|2,1,0]=4 2013 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,1,0,0,0,0|2,1,0]=4 2014 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,1,0,0,0,0|2,1,0]=4 2015 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,1,0,0,0,0|2,1,0]=4 2016 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,1,0,0,0,0|2,1,0]=4 2017 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,1,0,0,0,0|2,1,0]=4 2018 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,1,0,0,0,0|2,0,1]=4 2019 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,1,0,0,0,0|3,0,0]=4 2020 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,1,0,0,0,0|3,0,0]=4 2021 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,1,0,0,0,0|3,0,0]=4 2022 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,1,0,0,0,0|3,0,0]=4 2023 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,1,0,0,0,0|3,0,0]=4 2024 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,1,0,0,0,0|3,0,0]=4 2025 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,0|3,0,0]=4 2026 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,1,0,0,0,0|3,0,0]=4 2027 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,1,0,0,0,0|3,0,0]=4 2028 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,1,0,0,0,0|3,0,0]=4 2029 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,1,0,0,0,0|1,1,0]=3 2030 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,1,0,0,0,0|1,1,0]=3 2031 B9R0.24 COC(=O)CSC(F)C#N 62a_100000747449_200000117898 [0,1,0,0,0,0|3,0,0]=4 2032 B9R0.24 COC(=O)CSC(F)C#N 62a_200000117898_100000747449 [0,1,0,0,0,0|3,0,0]=4 2033 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,1,0,0,0,0|3,0,0]=4 2034 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,1,0,0,0,0|3,0,0]=4 2035 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,1,0,0,0,0|2,0,1]=4 2036 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [0,1,0,0,0,0|1,0,2]=4 2037 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [0,1,0,0,0,0|1,0,2]=4 2038 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000198492_100000038162 [0,1,0,0,0,0|2,0,1]=4 2039 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000225692_100000747449 [0,1,0,0,0,0|2,0,1]=4 2040 B9R0.34 C#CCN(C)CC(=O)OC 34a_100000225692_100000747449 [0,1,0,0,0,0|2,0,1]=4 2041 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,0|2,0,1]=4 2042 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,1,0,0,0,0|2,0,1]=4 2043 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,1,0,0,0,0|2,0,1]=4 2044 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,1,0,0,0,0|2,0,1]=4 2045 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,0,0,0,0|2,0,1]=4 2046 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,1,0,0,0,0|1,0,2]=4 2047 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,1,0,0,0,0|1,0,2]=4 2048 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,1,0,0,0,0|2,0,1]=4 2049 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,1,0,0,0,0|2,0,1]=4 2050 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,1,0,0,0,0|2,0,1]=4 2051 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,1,0,0,0,0|1,0,2]=4 2052 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,0,0,0,0|1,0,2]=4 2053 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,0|1,1,1]=4 2054 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,0|1,0,1]=3 2055 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,1,0,0,0,0|2,1,0]=4 2056 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,1,0,0,0,0|2,1,0]=4 2057 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,1,0,0,0,0|2,1,0]=4 2058 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,1,0,0,0,0|2,1,0]=4 2059 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|2,0,1]=4 2060 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|2,0,1]=4 2061 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|2,0,1]=4 2062 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|1,0,1]=3 2063 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|1,0,1]=3 2064 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,0|2,0,0]=3 2065 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,0|2,0,0]=3 2066 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,0|3,0,0]=4 2067 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,0|3,0,0]=4 2068 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,0|2,0,0]=3 2069 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,0|2,0,0]=3 2070 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,0|2,0,0]=3 2071 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,0|2,0,0]=3 2072 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,0|3,0,0]=4 2073 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,0|3,0,0]=4 2074 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,0|3,0,0]=4 2075 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,0|3,0,0]=4 2076 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,1,0,0,0,0|3,0,0]=4 2077 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,1,0,0,0,0|3,0,0]=4 2078 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,1,0,0,0,0|3,0,0]=4 2079 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,1,0,0,0,0|3,0,0]=4 2080 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,1,0,0,0,0|3,0,0]=4 2081 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,0|3,0,0]=4 2082 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,1,0,0,0,0|3,0,0]=4 2083 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,1,0,0,0,0|3,0,0]=4 2084 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,0|2,0,0]=3 2086 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,0|2,0,0]=3 2087 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,0|2,0,0]=3 2088 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,0|3,0,0]=4 2089 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,1,0,0,0,0|3,0,0]=4 2090 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,1,0,0,0,0|3,0,0]=4 2091 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,1,0,0,0,0|3,0,0]=4 2092 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,1,0,0,0,0|3,0,0]=4 2093 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|2,0,1]=4 2094 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,0,0,0,0|2,0,0]=3 2095 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,0|2,0,0]=3 2096 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,1,0,0,0,0|3,0,0]=4 2097 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,1,0,0,0,0|3,0,0]=4 2098 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,1,0,0,0,0|3,0,0]=4 2099 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,1,0,0,0,0|3,0,0]=4 2100 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,1,0,0,0,0|3,0,0]=4 2101 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,0,0,0,0|2,0,0]=3 2102 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,0,0,0,0|2,0,0]=3 2103 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,1,0,0,0,0|1,1,1]=4 2104 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,1,0,0,0,0|1,0,1]=3 2105 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,1,0,0,0,0|2,1,0]=4 2106 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,1,0,0,0,0|2,0,0]=3 2107 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,1,0,0,0,0|2,1,0]=4 2108 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,1,0,0,0,0|2,1,0]=4 2109 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,1,0,0,0,0|2,1,0]=4 2110 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,1,0,0,0,0|2,1,0]=4 2111 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,1,0,0,0,0|2,1,0]=4 2112 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,1,0,0,0,0|2,1,0]=4 2113 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,1,0,0,0,0|1,0,0]=2 2114 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,1,0,0,0,0|1,0,0]=2 2115 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,1,0,0,0,0|2,0,1]=4 2116 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [0,1,0,0,0,0|2,0,1]=4 2117 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [0,1,0,0,0,0|2,0,1]=4 2118 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,1,0,0,0,0|2,0,1]=4 2119 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,1,0,0,0,0|2,0,1]=4 2120 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,1,0,0,0,0|2,0,1]=4 2121 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,1,0,0,0,0|0,0,1]=2 2122 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,1,0,0,0,0|0,0,1]=2 2123 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,1,0,0,0,0|0,0,1]=2 2124 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,1,0,0,0,0|0,0,1]=2 2125 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,1,0,0,0,0|0,0,1]=2 2126 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,1,0,0,0,0|3,0,0]=4 2127 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,1,0,0,0,0|3,0,0]=4 2128 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000198492_100011215382 [0,1,0,0,0,0|3,0,0]=4 2129 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000748184_100000747449 [0,1,0,0,0,0|3,0,0]=4 2130 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [0,1,0,0,0,0|3,0,0]=4 2131 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,1,0,0,0,0|3,0,0]=4 2132 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,1,0,0,0,0|3,0,0]=4 2133 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,1,0,0,0,0|3,0,0]=4 2134 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,1,0,0,0,0|3,0,0]=4 2135 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,1,0,0,0,0|1,0,0]=2 2136 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,1,0,0,0,0|0,0,0]=1 2137 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,1,0,0,0,0|0,0,0]=1 2138 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,1,0,0,0,0|0,0,0]=1 2139 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,1,0,0,0,0|0,0,0]=1 2140 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,1,0,0,0,0|1,0,1]=3 2141 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,1,0,0,0,0|1,0,1]=3 2142 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,1,0,0,0,0|0,1,1]=3 2143 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,1,0,0,0,0|1,1,0]=3 2144 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,1,0,0,0,0|0,1,0]=2 2145 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|2,0,1]=4 2146 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,1,0,0,0,0|2,0,1]=4 2147 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,0,0,0,0|2,0,1]=4 2148 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,0,0,0,0|1,1,1]=4 2149 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,1,0,0,0,0|1,1,1]=4 2150 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,0,0,0,0|2,0,1]=4 2151 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,0,0,0,0|2,0,1]=4 2152 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|2,0,1]=4 2153 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|2,0,1]=4 2154 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|2,0,1]=4 2155 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 2156 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 2157 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|2,0,1]=4 2158 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,1,0,0,0,0|2,0,1]=4 2159 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,1,0,0,0,0|2,0,1]=4 2160 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,1,0,0,0,0|2,0,1]=4 2161 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,1,0,0,0,0|2,0,1]=4 2162 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,1,0,0,0,0|2,0,1]=4 2163 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,1,0,0,0,0|2,0,1]=4 2164 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,1,0,0,0,0|2,0,1]=4 2165 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,1,0,0,0,0|2,0,1]=4 2166 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,1,0,0,0,0|2,0,1]=4 2167 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,1,0,0,0,0|2,0,1]=4 2168 B9R0.46 C#CCCNCC(=O)NC 2230a_100000693194_100000688953 [0,1,0,0,0,0|2,0,1]=4 2169 B9R0.46 C#CCCNCC(=O)NC 34a_100000755551_100000183359 [0,1,0,0,0,0|2,0,1]=4 2170 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,1,0,0,0,0|1,0,1]=3 2171 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,1,0,0,0,0|2,0,1]=4 2172 B9R0.46 C#CCCOCC(=O)NC 34a_100000750040_100000688953 [0,1,0,0,0,0|2,0,1]=4 2173 B9R0.46 C#CCCOCC(=O)NC 34a_100011215631_100000183359 [0,1,0,0,0,0|2,0,1]=4 2174 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,1,0,0,0,0|1,0,1]=3 2175 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,1,0,0,0,0|2,0,1]=4 2176 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,1,0,0,0,0|2,0,1]=4 2177 B9R0.46 C#CCCSCC(=O)NC 62a_100000183359_100000688953 [0,1,0,0,0,0|2,0,1]=4 2178 B9R0.46 C#CCCSCC(=O)NC 62a_100000688953_100000183359 [0,1,0,0,0,0|2,0,1]=4 2179 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,1,0,0,0,0|1,0,1]=3 2180 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,1,0,0,0,0|1,0,1]=3 2181 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,1,0,0,0,0|2,0,1]=4 2182 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,1,0,0,0,0|2,0,1]=4 2183 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,1,0,0,0,0|2,0,1]=4 2184 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,1,0,0,0,0|1,0,1]=3 2185 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,1,0,0,0,0|2,0,1]=4 2186 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,1,0,0,0,0|2,0,1]=4 2187 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,1,0,0,0,0|2,0,1]=4 2188 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,1,0,0,0,0|2,0,1]=4 2189 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,1,0,0,0,0|2,0,1]=4 2190 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,1,0,0,0,0|2,0,1]=4 2191 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,1,0,0,0,0|2,0,1]=4 2192 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,1,0,0,0,0|2,0,1]=4 2193 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,1,0,0,0,0|1,0,1]=3 2194 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,1,0,0,0,0|2,0,1]=4 2195 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,1,0,0,0,0|1,0,1]=3 2196 B9R0.46 C#CCSCOC(=O)OC 62a_100000038162_100000139417 [0,1,0,0,0,0|2,0,1]=4 2197 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,1,0,0,0,0|2,0,1]=4 2198 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,1,0,0,0,0|2,0,1]=4 2199 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,1,0,0,0,0|2,0,1]=4 2200 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,1,0,0,0,0|1,0,1]=3 2201 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,1,0,0,0,0|2,0,1]=4 2202 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,1,0,0,0,0|2,0,1]=4 2203 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,1,0,0,0,0|2,0,1]=4 2204 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,1,0,0,0,0|2,0,1]=4 2205 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,1,0,0,0,0|1,0,1]=3 2206 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,1,0,0,0,0|1,0,1]=3 2207 B9R0.46 C=C(C#N)CNCCSC 2230a_100020590264_100000694840 [0,1,0,0,0,0|3,0,0]=4 2208 B9R0.46 C=C(C#N)COCCSC 34a_100000230434_100000694840 [0,1,0,0,0,0|3,0,0]=4 2209 B9R0.46 C=C(C#N)CSCCSC 62a_100000212216_100000694840 [0,1,0,0,0,0|3,0,0]=4 2210 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|2,0,1]=4 2211 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|2,0,1]=4 2212 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|2,0,1]=4 2213 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|1,1,1]=4 2214 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|1,1,1]=4 2215 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|2,0,1]=4 2216 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|2,0,1]=4 2217 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|2,0,1]=4 2218 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|2,0,1]=4 2219 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,1,0,0,0,0|1,1,1]=4 2220 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,1,0,0,0,0|1,1,1]=4 2221 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,1,0,0,0,0|1,0,1]=3 2222 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,1,0,0,0,0|1,0,1]=3 2223 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,1,0,0,0,0|2,0,1]=4 2224 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,1,0,0,0,0|2,0,1]=4 2225 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,0,0,0,0|2,0,1]=4 2226 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,0,0,0,0|2,0,1]=4 2227 B9R0.46 C=CC(=O)OCCSCF 62a_100009813456_100015361967 [0,1,0,0,0,0|2,0,1]=4 2228 B9R0.46 C=CC(=O)OCCSCF 62a_100015361967_100009813456 [0,1,0,0,0,0|2,0,1]=4 2229 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|2,0,1]=4 2230 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|2,0,1]=4 2231 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|2,0,1]=4 2232 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 2233 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 2234 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 2235 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 2236 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 2237 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 2238 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 2239 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,1,0,0,0,0|2,0,1]=4 2240 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,1,0,0,0,0|2,0,1]=4 2241 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,1,0,0,0,0|2,0,1]=4 2242 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,1,0,0,0,0|2,0,1]=4 2243 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,1,0,0,0,0|2,0,1]=4 2244 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,1,0,0,0,0|2,0,1]=4 2245 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,1,0,0,0,0|2,0,1]=4 2246 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,1,0,0,0,0|2,0,1]=4 2247 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,0,0,0,0|1,0,1]=3 2248 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,1,0,0,0,0|2,0,1]=4 2249 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,1,0,0,0,0|2,0,1]=4 2250 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,1,0,0,0,0|2,0,1]=4 2251 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|1,0,1]=3 2252 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,1,0,0,0,0|2,0,1]=4 2253 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,1,0,0,0,0|2,0,1]=4 2254 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,1,0,0,0,0|2,0,1]=4 2255 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,1,0,0,0,0|2,0,1]=4 2256 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,0,0,0,0|1,0,1]=3 2257 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,0,0,0,0|1,0,1]=3 2258 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,1,0,0,0,0|2,0,1]=4 2259 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,1,0,0,0,0|2,0,1]=4 2260 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,1,0,0,0,0|2,0,1]=4 2261 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,0,0,0,0|1,0,1]=3 2262 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,1,0,0,0,0|2,0,1]=4 2263 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,1,0,0,0,0|2,0,1]=4 2264 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,1,0,0,0,0|2,0,1]=4 2265 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,1,0,0,0,0|2,0,1]=4 2266 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,1,0,0,0,0|2,0,1]=4 2267 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,1,0,0,0,0|2,0,1]=4 2268 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,1,0,0,0,0|2,0,1]=4 2269 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,0,0,0,0|1,0,1]=3 2270 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,1,0,0,0,0|2,0,1]=4 2271 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,1,0,0,0,0|2,0,1]=4 2272 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,1,0,0,0,0|1,0,1]=3 2273 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,1,0,0,0,0|1,0,1]=3 2274 B9R0.46 C=CCSCOC(=O)OC 62a_100000210623_100000139417 [0,1,0,0,0,0|2,0,1]=4 2275 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,1,0,0,0,0|2,0,1]=4 2276 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,1,0,0,0,0|2,0,1]=4 2277 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,1,0,0,0,0|2,0,1]=4 2278 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,1,0,0,0,0|1,0,1]=3 2279 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,1,0,0,0,0|1,0,1]=3 2280 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,1,0,0,0,0|2,0,1]=4 2281 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,1,0,0,0,0|2,0,1]=4 2282 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,1,0,0,0,0|2,0,1]=4 2283 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,1,0,0,0,0|1,0,1]=3 2284 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,1,0,0,0,0|2,0,1]=4 2285 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,1,0,0,0,0|2,0,1]=4 2286 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,1,0,0,0,0|2,0,1]=4 2287 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,1,0,0,0,0|2,0,1]=4 2288 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,1,0,0,0,0|1,0,1]=3 2289 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,1,0,0,0,0|1,0,1]=3 2290 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|2,0,1]=4 2291 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,1,0,0,0,0|2,0,1]=4 2292 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,1,0,0,0,0|2,0,1]=4 2293 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,1,0,0,0,0|2,0,1]=4 2294 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,1,0,0,0,0|2,0,1]=4 2295 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,1,0,0,0,0|2,0,1]=4 2296 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,1,0,0,0,0|2,0,1]=4 2298 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,1,0,0,0,0|1,0,1]=3 2299 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,1,0,0,0,0|1,0,1]=3 2300 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|2,0,1]=4 2301 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|2,0,0]=3 2302 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|2,0,0]=3 2303 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|2,0,0]=3 2304 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|1,1,0]=3 2305 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,1,0,0,0,0|3,0,0]=4 2306 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,1,0,0,0,0|3,0,0]=4 2307 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|3,0,0]=4 2308 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|3,0,0]=4 2309 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|3,0,0]=4 2310 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|3,0,0]=4 2311 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|1,1,0]=3 2312 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|1,1,0]=3 2313 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|1,0,0]=2 2314 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|1,0,0]=2 2315 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,1,0,0,0,0|3,0,0]=4 2316 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,1,0,0,0,0|3,0,0]=4 2317 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|3,0,0]=4 2318 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|3,0,0]=4 2319 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|3,0,0]=4 2320 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|3,0,0]=4 2321 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|1,1,0]=3 2322 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|1,1,0]=3 2323 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|1,0,0]=2 2324 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|1,0,0]=2 2325 B9R0.46 CCC(=O)CSCSC#N 62a_100000211825_100000747405 [0,1,0,0,0,0|2,0,1]=4 2326 B9R0.46 CCC(=O)CSCSC#N 62a_100000747405_100000211825 [0,1,0,0,0,0|2,0,1]=4 2327 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 2328 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 2329 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|1,1,0]=3 2330 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|1,1,0]=3 2331 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|1,1,0]=3 2332 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 2333 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 2334 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 2335 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|1,0,0]=2 2336 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,1,0,0,0,0|3,0,0]=4 2337 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,1,0,0,0,0|2,1,0]=4 2338 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,1,0,0,0,0|2,1,0]=4 2339 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,0,0,0,0|2,1,0]=4 2340 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,1,0,0,0,0|2,1,0]=4 2341 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,1,0,0,0,0|2,0,1]=4 2342 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,1,0,0,0,0|2,0,1]=4 2343 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,1,0,0,0,0|2,0,1]=4 2344 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,1,0,0,0,0|2,0,1]=4 2345 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,1,0,0,0,0|2,0,1]=4 2346 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,1,0,0,0,0|2,0,1]=4 2347 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,1,0,0,0,0|2,0,1]=4 2348 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,1,0,0,0,0|2,0,1]=4 2349 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,1,0,0,0,0|2,0,1]=4 2350 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,1,0,0,0,0|2,0,1]=4 2351 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,1,0,0,0,0|2,0,1]=4 2352 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,0,0,0,0|1,0,2]=4 2353 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,0,0,0,0|1,0,2]=4 2354 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,0,0,0,0|1,0,2]=4 2355 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,0,0,0,0|1,0,2]=4 2356 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,1,0,0,0,0|1,0,2]=4 2357 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,1,0,0,0,0|1,0,2]=4 2358 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|2,0,1]=4 2359 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,0,0,0,0|2,0,1]=4 2360 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,0,0,0,0|2,0,1]=4 2361 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,0,0,0,0|2,0,1]=4 2362 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,0,0,0,0|2,0,1]=4 2363 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|2,0,1]=4 2364 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|2,0,1]=4 2365 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|2,0,1]=4 2366 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|2,0,1]=4 2367 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|2,0,0]=3 2368 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|2,0,0]=3 2369 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|3,0,0]=4 2370 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|3,0,0]=4 2371 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|2,0,0]=3 2372 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 2373 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 2374 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|2,0,0]=3 2375 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|2,0,1]=4 2376 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|2,0,1]=4 2377 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|2,0,1]=4 2378 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|2,0,1]=4 2379 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|2,0,1]=4 2380 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2381 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2382 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2383 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2384 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|3,0,0]=4 2385 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|3,0,0]=4 2386 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|2,0,0]=3 2387 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|2,0,0]=3 2388 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|2,0,0]=3 2389 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|2,0,0]=3 2390 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|2,0,0]=3 2391 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|2,0,0]=3 2392 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|2,0,1]=4 2393 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|2,0,1]=4 2394 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|2,0,0]=3 2395 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|2,0,0]=3 2396 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|2,0,0]=3 2397 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|2,0,0]=3 2398 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|1,0,0]=2 2399 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|1,0,0]=2 2400 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|2,0,1]=4 2401 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|3,0,0]=4 2402 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|3,0,0]=4 2403 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|3,0,0]=4 2404 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|3,0,0]=4 2405 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|2,0,0]=3 2406 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|2,0,0]=3 2407 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|2,0,0]=3 2408 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|2,0,0]=3 2409 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|3,0,0]=4 2410 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|3,0,0]=4 2411 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|2,0,0]=3 2412 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|2,0,0]=3 2413 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|2,0,0]=3 2414 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|2,0,0]=3 2415 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|2,0,0]=3 2416 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|2,0,0]=3 2417 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|2,0,0]=3 2418 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,0]=2 2419 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,0]=2 2420 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|2,0,1]=4 2421 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|2,0,1]=4 2422 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|2,0,1]=4 2423 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|2,0,1]=4 2424 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|2,0,1]=4 2425 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|2,0,0]=3 2426 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|2,0,0]=3 2427 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|2,0,0]=3 2428 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|3,0,0]=4 2429 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|2,0,0]=3 2430 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|2,0,0]=3 2431 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|2,0,0]=3 2432 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|2,0,0]=3 2433 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|2,0,0]=3 2434 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|2,0,0]=3 2435 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,0,0]=2 2436 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,0,0]=2 2437 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|2,0,0]=3 2438 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|2,0,0]=3 2439 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,0,0,0,0|2,0,1]=4 2440 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|2,0,0]=3 2441 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|3,0,0]=4 2442 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|2,0,0]=3 2443 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|2,0,0]=3 2444 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|1,0,0]=2 2445 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|2,0,1]=4 2446 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|2,0,0]=3 2447 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|2,0,0]=3 2448 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|1,0,0]=2 2449 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|1,0,0]=2 2450 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|2,0,0]=3 2451 B9R0.46 CCN(C)CCCSCF 62a_100015361967_100015186262 [0,1,0,0,0,0|3,0,0]=4 2452 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,0,0,0,0|1,0,2]=4 2453 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|2,0,0]=3 2454 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|2,0,0]=3 2455 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|2,0,0]=3 2456 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|1,0,0]=2 2457 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|3,0,0]=4 2458 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|3,0,0]=4 2459 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,1,0,0,0,0|2,0,1]=4 2460 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,0,0,0,0|0,1,2]=4 2461 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|1,1,0]=3 2462 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|2,1,0]=4 2463 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,1,0]=3 2464 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,1,0,0,0,0|2,1,0]=4 2465 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|0,1,0]=2 2466 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|2,1,0]=4 2467 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|2,1,0]=4 2468 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|2,1,0]=4 2469 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|2,1,0]=4 2470 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|2,1,0]=4 2471 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|2,1,0]=4 2472 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|2,1,0]=4 2473 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|2,1,0]=4 2474 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|2,1,0]=4 2475 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|2,1,0]=4 2476 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|2,1,0]=4 2477 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|2,1,0]=4 2478 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|1,1,0]=3 2479 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|2,1,0]=4 2480 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|2,1,0]=4 2481 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|1,1,0]=3 2482 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|2,1,0]=4 2483 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|2,1,0]=4 2484 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,1,0,0,0,0|2,1,0]=4 2485 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,1,0,0,0,0|2,1,0]=4 2486 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|1,1,0]=3 2487 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|1,1,0]=3 2488 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,0,0,0,0|0,0,2]=3 2489 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,0,0,0,0|0,0,2]=3 2490 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,0]=2 2491 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,0]=2 2492 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|0,0,0]=1 2493 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|0,0,0]=1 2494 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,1,0,0,0,0|3,0,0]=4 2495 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 2496 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 2497 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 2498 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 2499 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|3,0,0]=4 2500 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|3,0,0]=4 2501 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|2,0,0]=3 2502 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|2,0,0]=3 2503 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|2,0,0]=3 2504 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|2,0,0]=3 2505 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|2,0,0]=3 2506 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|2,0,0]=3 2507 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|2,0,0]=3 2508 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|2,0,0]=3 2509 B9R0.46 CCSCCSC(C)OC 62a_100000757381_100009879195 [0,1,0,0,0,0|2,0,1]=4 2510 B9R0.46 CCSCCSC(C)OC 62a_100009879195_100000757381 [0,1,0,0,0,0|2,0,1]=4 2511 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,1,0,0,0,0|2,0,1]=4 2512 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,1,0,0,0,0|2,0,1]=4 2513 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,1,0,0,0,0|2,0,1]=4 2514 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,1,0,0,0,0|2,0,1]=4 2515 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,1,0,0,0,0|2,0,1]=4 2516 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,1,0,0,0,0|2,0,1]=4 2517 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|2,0,0]=3 2518 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 11a_106832991635_100010262590 [0,1,0,0,0,0|3,0,0]=4 2519 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 240690a_100102657272_100010262590 [0,1,0,0,0,0|3,0,0]=4 2520 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 527a_100102657272_100010262590 [0,1,0,0,0,0|3,0,0]=4 2521 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,1,0,0,0,0|2,0,0]=3 2522 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,1,0,0,0,0|1,0,0]=2 2523 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,1,0,0,0,0|1,0,0]=2 2524 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,1,0,0,0,0|3,0,0]=4 2525 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,1,0,0,0,0|3,0,0]=4 2526 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,1,0,0,0,0|3,0,0]=4 2527 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,1,0,0,0,0|3,0,0]=4 2528 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,1,0,0,0,0|3,0,0]=4 2529 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,0,0,0,0|3,0,0]=4 2531 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,0,0,0,0|3,0,0]=4 2532 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,0,0,0,0|3,0,0]=4 2533 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,0,0,0,0|3,0,0]=4 2534 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,1,0,0,0,0|1,1,0]=3 2535 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,1,0,0,0,0|1,0,0]=2 2536 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,1,0,0,0,0|1,0,0]=2 2537 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,1,0,0,0,0|3,0,0]=4 2538 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,1,0,0,0,0|3,0,0]=4 2539 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,1,0,0,0,0|3,0,0]=4 2540 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,1,0,0,0,0|3,0,0]=4 2541 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,1,0,0,0,0|3,0,0]=4 2542 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,1,0,0,0,0|3,0,0]=4 2543 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,1,0,0,0,0|3,0,0]=4 2544 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,1,0,0,0,0|1,0,0]=2 2545 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,1,0,0,0,0|3,0,0]=4 2546 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,1,0,0,0,0|3,0,0]=4 2547 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,1,0,0,0,0|3,0,0]=4 2548 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,1,0,0,0,0|3,0,0]=4 2549 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,1,0,0,0,0|3,0,0]=4 2550 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,1,0,0,0,0|3,0,0]=4 2551 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,1,0,0,0,0|3,0,0]=4 2552 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,1,0,0,0,0|3,0,0]=4 2553 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,1,0,0,0,0|1,1,0]=3 2554 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,1,0,0,0,0|1,1,0]=3 2555 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,1,0,0,0,0|1,0,0]=2 2556 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,1,0,0,0,0|1,0,0]=2 2557 B9R0.46 CNC(=O)CNCCC#N 2230a_100000693194_100011215226 [0,1,0,0,0,0|3,0,0]=4 2558 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|3,0,0]=4 2559 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|3,0,0]=4 2560 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|3,0,0]=4 2561 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|3,0,0]=4 2562 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|1,1,0]=3 2563 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|1,1,0]=3 2564 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|1,0,0]=2 2565 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|1,0,0]=2 2566 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|3,0,0]=4 2567 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|3,0,0]=4 2568 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|3,0,0]=4 2569 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|3,0,0]=4 2570 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|3,0,0]=4 2571 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|3,0,0]=4 2572 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|1,1,0]=3 2573 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|1,1,0]=3 2574 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|1,1,0]=3 2575 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|1,1,0]=3 2576 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|1,1,0]=3 2577 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|1,1,0]=3 2578 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,1,0,0,0,0|2,1,0]=4 2579 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|1,0,0]=2 2580 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|1,0,0]=2 2581 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|1,0,0]=2 2582 B9R0.46 CNC(=O)CSCCC#N 62a_100000183359_100011215226 [0,1,0,0,0,0|3,0,0]=4 2583 B9R0.46 CNC(=O)CSCCC#N 62a_100011215226_100000183359 [0,1,0,0,0,0|3,0,0]=4 2584 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|3,0,0]=4 2585 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|3,0,0]=4 2586 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|3,0,0]=4 2587 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|3,0,0]=4 2588 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|1,1,0]=3 2589 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|1,1,0]=3 2590 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|1,0,0]=2 2591 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|1,0,0]=2 2592 B9R0.46 CNC(=O)CSCSC#N 62a_100000183359_100000211825 [0,1,0,0,0,0|2,0,1]=4 2593 B9R0.46 CNC(=O)CSCSC#N 62a_100000211825_100000183359 [0,1,0,0,0,0|2,0,1]=4 2594 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|3,0,0]=4 2595 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|3,0,0]=4 2596 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|3,0,0]=4 2597 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|3,0,0]=4 2598 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|3,0,0]=4 2599 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|3,0,0]=4 2600 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|1,1,0]=3 2601 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|1,1,0]=3 2602 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|1,1,0]=3 2603 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|1,1,0]=3 2604 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|1,1,0]=3 2605 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|1,0,0]=2 2606 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|1,0,0]=2 2607 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|1,0,0]=2 2608 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|1,0,0]=2 2609 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|1,0,0]=2 2610 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|1,0,0]=2 2611 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,1,0,0,0,0|3,0,0]=4 2612 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,1,0,0,0,0|2,1,0]=4 2613 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,1,0,0,0,0|2,0,0]=3 2614 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,1,0,0,0,0|2,0,0]=3 2615 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|1,0,0]=2 2616 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|1,0,0]=2 2617 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|1,0,0]=2 2618 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|1,0,0]=2 2619 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|1,0,0]=2 2620 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|1,0,0]=2 2621 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,1,0,0,0,0|0,0,2]=3 2622 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,1,0,0,0,0|0,0,2]=3 2623 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|0,1,0]=2 2624 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|0,1,0]=2 2625 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|0,0,0]=1 2626 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|0,0,0]=1 2627 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|0,0,0]=1 2628 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|0,0,0]=1 2629 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,0,0,0,0|0,0,0]=1 2630 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,0,0,0,0|0,0,0]=1 2631 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,0,0,0,0|2,0,0]=3 2632 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|2,0,0]=3 2633 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|2,0,0]=3 2634 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,0,0,0,0|2,0,0]=3 2635 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,0,0,0,0|2,0,0]=3 2636 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,1,0,0,0,0|2,0,0]=3 2637 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,1,0,0,0,0|2,0,0]=3 2638 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,0,0,0,0|2,0,0]=3 2639 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,0,0,0,0|2,0,0]=3 2640 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,0,0,0,0|2,0,0]=3 2641 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,0,0,0,0|2,0,0]=3 2642 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|2,0,0]=3 2643 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|2,0,0]=3 2644 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|0,0,0]=1 2645 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|0,0,0]=1 2646 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 2647 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 2648 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|0,0,0]=1 2649 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|2,0,0]=3 2650 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|2,0,0]=3 2651 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|2,0,0]=3 2652 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|2,0,0]=3 2653 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,1,0,0,0,0|1,1,0]=3 2654 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|0,0,0]=1 2655 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|0,0,0]=1 2656 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|0,0,0]=1 2657 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|0,0,0]=1 2658 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|0,0,0]=1 2659 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|0,0,0]=1 2660 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,1,0,0,0,0|2,0,0]=3 2661 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,1,0,0,0,0|2,0,0]=3 2662 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|2,0,0]=3 2663 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|2,0,0]=3 2664 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|2,0,0]=3 2665 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|2,0,0]=3 2666 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|0,0,0]=1 2667 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|0,0,0]=1 2668 B9R0.46 COC(=O)CSCSC#N 62a_100000211825_100000747449 [0,1,0,0,0,0|1,0,1]=3 2669 B9R0.46 COC(=O)CSCSC#N 62a_100000747449_100000211825 [0,1,0,0,0,0|1,0,1]=3 2670 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,1,0,0,0,0|1,1,0]=3 2671 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|1,1,0]=3 2672 B9R0.46 COC(=O)OCSCC#N 62a_100011215382_100000139417 [0,1,0,0,0,0|3,0,0]=4 2673 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [0,1,0,0,0,0|3,0,0]=4 2674 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|3,0,0]=4 2675 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|3,0,0]=4 2676 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,0,0,0,0|1,0,0]=2 2677 B9R0.46 COC(C)COCCSC 34a_100000690652_100000212216 [0,1,0,0,0,0|1,0,1]=3 2678 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|2,1,0]=4 2679 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|0,1,0]=2 2680 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|0,1,0]=2 2681 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|0,1,0]=2 2682 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,1,0]=4 2683 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,1,0]=4 2684 B9R0.46 COCCCSC(C)OC 62a_100000709357_100009879195 [0,1,0,0,0,0|1,1,1]=4 2685 B9R0.46 COCCCSC(C)OC 62a_100009879195_100000709357 [0,1,0,0,0,0|1,1,1]=4 2686 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|0,1,0]=2 2687 B9R0.46 COCCNC[C@@H](C)OC 2230a_100020591295_100011201679 [0,1,0,0,0,0|1,1,1]=4 2688 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|2,1,0]=4 2689 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|0,1,0]=2 2690 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|0,1,0]=2 2691 B9R0.46 COCCOCC(C)OC 34a_100000690652_100011201679 [0,1,0,0,0,0|1,1,1]=4 2692 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|0,1,0]=2 2693 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|0,1,0]=2 2694 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|0,1,0]=2 2695 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|0,1,0]=2 2696 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,0,0,0,0|1,1,0]=3 2697 B9R0.46 CO[C@H](C)CNCCSC 2230a_100020591295_100000751147 [0,1,0,0,0,0|1,0,1]=3 2698 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 2699 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 2700 B9R0.46 CSCOCCC(=NO)N 34a_100000749954_100011218213 [0,1,0,0,0,0|3,0,0]=4 2701 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,1,0,0,0,0|2,1,0]=4 2702 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|3,0,0]=4 2703 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|3,0,0]=4 2704 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|3,0,0]=4 2705 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,1,0,0,0,0|2,0,1]=4 2706 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,1,0,0,0,0|2,0,1]=4 2707 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,1,0,0,0,0|2,0,1]=4 2708 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,1,0,0,0,0|2,0,1]=4 2709 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,1,0,0,0,0|2,0,1]=4 2710 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,1,0,0,0,0|2,0,1]=4 2711 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,1,0,0,0,0|2,0,1]=4 2712 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,1,0,0,0,0|2,0,1]=4 2713 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,1,0,0,0,0|2,0,1]=4 2714 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,1,0,0,0,0|2,0,1]=4 2715 B9R0.47 C=C(Br)C(=O)NCCSC 11a_100020590264_100009813364 [0,1,0,0,0,0|2,0,1]=4 2716 B9R0.47 C=C(Br)C(=O)NCCSC 1626a_100020590264_100009813364 [0,1,0,0,0,0|2,0,1]=4 2717 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,1,0,0,0,0|3,0,0]=4 2718 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|2,0,0]=3 2719 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|3,0,0]=4 2720 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|3,0,0]=4 2721 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|1,1,0]=3 2722 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|3,0,0]=4 2723 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|3,0,0]=4 2724 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|3,0,0]=4 2725 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|3,0,0]=4 2726 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|3,0,0]=4 2727 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|3,0,0]=4 2728 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|2,1,0]=4 2729 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|2,0,0]=3 2730 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|2,0,0]=3 2731 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 2732 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|3,0,0]=4 2733 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 2734 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|2,1,0]=4 2735 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|2,0,0]=3 2736 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|2,0,0]=3 2737 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|2,0,0]=3 2738 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|2,0,0]=3 2739 B9R0.47 C=C(Cl)C(=O)NCCSC 11a_100020590264_100000039160 [0,1,0,0,0,0|2,0,1]=4 2740 B9R0.47 C=C(Cl)C(=O)NCCSC 1626a_100020590264_100000039160 [0,1,0,0,0,0|2,0,1]=4 2741 B9R0.47 C=C(F)C(=O)NCCSC 11a_100020590264_100000036797 [0,1,0,0,0,0|2,0,1]=4 2742 B9R0.47 C=C(F)C(=O)NCCSC 1626a_100020590264_100000036797 [0,1,0,0,0,0|2,0,1]=4 2743 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,1,0,0,0,0|2,0,1]=4 2744 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,1,0,0,0,0|2,0,1]=4 2745 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,1,0,0,0,0|2,0,1]=4 2746 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,1,0,0,0,0|2,0,1]=4 2747 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,1,0,0,0,0|2,0,1]=4 2748 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,1,0,0,0,0|2,0,1]=4 2749 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,1,0,0,0,0|2,0,1]=4 2750 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,1,0,0,0,0|2,0,1]=4 2751 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|2,0,1]=4 2752 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|2,0,1]=4 2753 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,1,0,0,0,0|3,0,0]=4 2754 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,1,0,0,0,0|3,0,0]=4 2755 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|3,0,0]=4 2756 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|3,0,0]=4 2757 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|3,0,0]=4 2758 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,1,0,0,0,0|3,0,0]=4 2759 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,1,0,0,0,0|3,0,0]=4 2760 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,1,0,0,0,0|3,0,0]=4 2761 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|3,0,0]=4 2762 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|3,0,0]=4 2763 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|2,0,0]=3 2764 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|2,0,0]=3 2765 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|2,0,0]=3 2766 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|3,0,0]=4 2767 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|2,0,0]=3 2768 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|2,0,0]=3 2769 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|2,0,0]=3 2770 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|2,0,0]=3 2771 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|2,0,0]=3 2772 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|2,0,0]=3 2773 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|3,0,0]=4 2774 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|3,0,0]=4 2775 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|3,0,0]=4 2776 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|3,0,0]=4 2777 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|3,0,0]=4 2778 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|3,0,0]=4 2779 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|3,0,0]=4 2780 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|3,0,0]=4 2781 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|3,0,0]=4 2782 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|3,0,0]=4 2783 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|3,0,0]=4 2784 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|3,0,0]=4 2785 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,1,0,0,0,0|3,0,0]=4 2786 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|3,0,0]=4 2787 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|3,0,0]=4 2788 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|3,0,0]=4 2789 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,1,0,0,0,0|3,0,0]=4 2790 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,1,0,0,0,0|3,0,0]=4 2791 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,1,0,0,0,0|3,0,0]=4 2792 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,1,0,0,0,0|3,0,0]=4 2793 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,1,0,0,0,0|3,0,0]=4 2794 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|3,0,0]=4 2795 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|3,0,0]=4 2796 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|3,0,0]=4 2797 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|3,0,0]=4 2798 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|3,0,0]=4 2799 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,1,0,0,0,0|3,0,0]=4 2800 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,1,0,0,0,0|3,0,0]=4 2801 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,1,0,0,0,0|3,0,0]=4 2802 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,1,0,0,0,0|3,0,0]=4 2803 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,1,0,0,0,0|3,0,0]=4 2804 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,1,0,0,0,0|3,0,0]=4 2805 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,1,0,0,0,0|3,0,0]=4 2806 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,1,0,0,0,0|3,0,0]=4 2807 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|3,0,0]=4 2808 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|3,0,0]=4 2809 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|3,0,0]=4 2810 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,1,0,0,0,0|3,0,0]=4 2811 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,1,0,0,0,0|3,0,0]=4 2812 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,1,0,0,0,0|3,0,0]=4 2813 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,1,0,0,0,0|3,0,0]=4 2814 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,1,0,0,0,0|3,0,0]=4 2815 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|3,0,0]=4 2816 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|3,0,0]=4 2817 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|3,0,0]=4 2818 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|3,0,0]=4 2819 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|3,0,0]=4 2820 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,1,0,0,0,0|3,0,0]=4 2821 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,1,0,0,0,0|3,0,0]=4 2822 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,1,0,0,0,0|3,0,0]=4 2823 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,1,0,0,0,0|3,0,0]=4 2824 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,1,0,0,0,0|3,0,0]=4 2825 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,1,0,0,0,0|3,0,0]=4 2826 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|3,0,0]=4 2827 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|3,0,0]=4 2828 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,1,0,0,0,0|3,0,0]=4 2829 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,1,0,0,0,0|3,0,0]=4 2830 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,1,0,0,0,0|3,0,0]=4 2831 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,1,0,0,0,0|3,0,0]=4 2832 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,1,0,0,0,0|3,0,0]=4 2833 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,1,0,0,0,0|2,0,0]=3 2834 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,1,0,0,0,0|1,0,0]=2 2835 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,1,0,0,0,0|1,0,0]=2 2836 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,1,0,0,0,0|2,0,0]=3 2837 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,1,0,0,0,0|2,0,0]=3 2838 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,1,0,0,0,0|2,0,0]=3 2839 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,1,0,0,0,0|3,0,0]=4 2840 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,1,0,0,0,0|3,0,0]=4 2841 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|1,1,0]=3 2842 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|1,1,0]=3 2843 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|1,1,0]=3 2844 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|2,1,0]=4 2845 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,1,0,0,0,0|1,1,0]=3 2846 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,1,0,0,0,0|1,1,0]=3 2847 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,1,0,0,0,0|1,1,0]=3 2848 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,1,0,0,0,0|1,1,0]=3 2849 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|1,1,0]=3 2850 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|1,1,0]=3 2851 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,1,0,0,0,0|2,1,0]=4 2852 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,1,0,0,0,0|2,1,0]=4 2853 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,1,0,0,0,0|2,1,0]=4 2854 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,1,0,0,0,0|2,1,0]=4 2855 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,1,0,0,0,0|2,1,0]=4 2856 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,1,0,0,0,0|2,1,0]=4 2857 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,0,0,0,0|2,1,0]=4 2858 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,0,0,0,0|2,1,0]=4 2859 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,0,0,0,0|2,1,0]=4 2860 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,1,0,0,0,0|2,1,0]=4 2861 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|2,1,0]=4 2862 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|2,1,0]=4 2863 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,1,0,0,0,0|2,1,0]=4 2864 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,1,0,0,0,0|2,1,0]=4 2865 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,1,0,0,0,0|2,1,0]=4 2866 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,1,0,0,0,0|2,1,0]=4 2867 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|1,0,0]=2 2868 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,1,0,0,0,0|1,0,0]=2 2869 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,1,0,0,0,0|1,0,0]=2 2870 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,1,0,0,0,0|1,0,0]=2 2871 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,1,0,0,0,0|1,0,0]=2 2872 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,1,0,0,0,0|1,0,0]=2 2873 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,1,0,0,0,0|1,0,0]=2 2874 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,1,0,0,0,0|2,0,1]=4 2875 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,1,0,0,0,0|3,0,0]=4 2876 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,1,0,0,0,0|2,0,0]=3 2877 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,1,0,0,0,0|2,0,0]=3 2878 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,1,0,0,0,0|2,0,0]=3 2879 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,1,0,0,0,0|2,0,0]=3 2880 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 2881 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 2882 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 2883 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 2884 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 2885 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 2886 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 2887 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 2888 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,1,0,0,0,0|3,0,0]=4 2889 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,1,0,0,0,0|2,0,0]=3 2890 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,0,0,0,0|2,0,0]=3 2891 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,0,0,0,0|2,0,0]=3 2892 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,0,0,0,0|2,0,0]=3 2893 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,1,0,0,0,0|2,0,0]=3 2894 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|2,0,0]=3 2895 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|2,0,0]=3 2896 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,1,0,0,0,0|2,0,0]=3 2897 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,1,0,0,0,0|2,0,0]=3 2898 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,1,0,0,0,0|2,0,0]=3 2899 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,1,0,0,0,0|2,0,0]=3 2900 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,1,0,0,0,0|3,0,0]=4 2901 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|3,0,0]=4 2902 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|3,0,0]=4 2903 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,1,0,0,0,0|3,0,0]=4 2904 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|3,0,0]=4 2905 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|3,0,0]=4 2906 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [0,1,0,0,0,0|2,0,1]=4 2907 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [0,1,0,0,0,0|2,0,1]=4 2908 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [0,1,0,0,0,0|2,0,1]=4 2909 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [0,1,0,0,0,0|2,0,1]=4 2910 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,1,0,0,0,0|2,0,1]=4 2911 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,1,0,0,0,0|2,0,1]=4 2912 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,1,0,0,0,0|2,0,1]=4 2913 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,1,0,0,0,0|2,0,1]=4 2914 B9R0.50 CCC(COCSC)OC 34a_100011934954_100011218213 [0,1,0,0,0,0|2,0,1]=4 2915 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,1,0,0,0,0|2,0,1]=4 2916 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,1,0,0,0,0|2,0,1]=4 2917 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,1,0,0,0,0|2,0,1]=4 2918 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,1,0,0,0,0|2,0,1]=4 2919 B9R0.50 CCN(CC)CCCSC 62a_200000210301_100000709985 [0,1,0,0,0,0|3,0,0]=4 2920 B9R0.50 CCN(CC)CCCS[13CH3] 62a_200025704644_100000709985 [0,1,0,0,0,0|3,0,0]=4 2921 B9R0.50 CNCCCC(OC)OC 2230a_106832991635_100000069011 [0,1,0,0,0,0|1,0,2]=4 2922 B9R0.50 CNCCCC(OC)OC 34a_100102657272_100000069011 [0,1,0,0,0,0|1,0,2]=4 2923 B9R0.50 CNCCCC(OC)OC 7a_106832991635_100000069011 [0,1,0,0,0,0|1,0,2]=4 2924 B9R0.50 COC(CCCSC)OC 62a_100000069011_200000210301 [0,1,0,0,0,0|0,0,2]=3 2925 B9R0.50 COC(CCCSC)OC 62a_200000210301_100000069011 [0,1,0,0,0,0|0,0,2]=3 2926 B9R0.50 COC(CCCS[13CH3])OC 62a_100000069011_200025704644 [0,1,0,0,0,0|0,0,2]=3 2927 B9R0.50 COC(CCCS[13CH3])OC 62a_200025704644_100000069011 [0,1,0,0,0,0|0,0,2]=3 2928 B9R0.50 COC(COCSC)OC 34a_100011216393_100011218213 [0,1,0,0,0,0|1,0,2]=4 2929 B9R0.50 COC(CSCSC)OC 62a_100000751394_100011218213 [0,1,0,0,0,0|1,0,2]=4 2930 B9R0.50 COC(CSCSC)OC 62a_100011218213_100000751394 [0,1,0,0,0,0|1,0,2]=4 2931 B9R0.50 COCCCC(OC)OC 34a_100138415774_100000069011 [0,1,0,0,0,0|0,1,2]=4 2932 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,0,0,1,0,0|3,0,0]=4 2933 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,0,0,1,0,0|2,0,1]=4 2934 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [0,0,0,1,0,0|3,0,0]=4 2935 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,0,0,1,0,0|2,0,0]=3 2936 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,0,0,1,0,0|2,0,0]=3 2937 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,1,0,0|1,1,0]=3 2938 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,1,0,0|1,1,0]=3 2939 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,0,1,0,0|1,1,0]=3 2940 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,0,0,1,0,0|2,1,0]=4 2941 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,0,0,1,0,0|2,0,1]=4 2942 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 2943 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 2944 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 2945 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [0,0,0,1,0,0|3,0,0]=4 2946 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 2947 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 2948 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 2949 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,0,0,1,0,0|2,0,0]=3 2950 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,0,0,1,0,0|2,0,0]=3 2951 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,1,0,0|1,1,0]=3 2952 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,1,0,0|1,1,0]=3 2953 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,0,1,0,0|1,1,0]=3 2954 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,0,0,1,0,0|2,1,0]=4 2955 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|2,0,1]=4 2956 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,0,0,1,0,0|2,0,1]=4 2957 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|2,0,1]=4 2958 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,0,0,1,0,0|2,0,1]=4 2959 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,0,0,1,0,0|2,0,1]=4 2960 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,0,0,1,0,0|2,0,1]=4 2961 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,0,0,1,0,0|2,0,1]=4 2962 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,0,0,1,0,0|2,0,1]=4 2963 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,0,0,1,0,0|2,0,1]=4 2964 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,0,0,1,0,0|2,0,1]=4 2965 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 2966 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 2967 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 2968 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 2969 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 2970 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 2971 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|3,0,0]=4 2972 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,0|3,0,0]=4 2973 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|3,0,0]=4 2974 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|3,0,0]=4 2975 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,0|3,0,0]=4 2976 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,0|3,0,0]=4 2977 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,0,0,1,0,0|3,0,0]=4 2978 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,0,0,1,0,0|3,0,0]=4 2979 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,0,0,1,0,0|1,0,2]=4 2980 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 2981 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 2982 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 2983 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,1,0,0|3,0,0]=4 2984 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 2985 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|2,0,0]=3 2986 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,1,0,0|3,0,0]=4 2987 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,1,0,0|3,0,0]=4 2988 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,1,0,0|3,0,0]=4 2989 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,1,0,0|3,0,0]=4 2990 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,0|2,0,0]=3 2991 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,0|2,0,0]=3 2992 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,0|2,0,0]=3 2993 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,0,0,1,0,0|0,1,2]=4 2994 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,1,0,0|2,1,0]=4 2995 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|1,1,0]=3 2996 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,1,0,0|2,1,0]=4 2997 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,1,0,0|2,1,0]=4 2998 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|1,1,0]=3 2999 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,0,0,1,0,0|2,1,0]=4 3000 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,0|1,1,0]=3 3001 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,0,0,1,0,0|0,0,2]=3 3002 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,0,0,1,0,0|0,0,2]=3 3003 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,0,0,1,0,0|3,0,0]=4 3004 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,0,0,1,0,0|3,0,0]=4 3005 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,1,0,0|2,0,0]=3 3006 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,1,0,0|2,0,0]=3 3007 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|1,0,0]=2 3008 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|1,0,0]=2 3009 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,0,0,1,0,0|2,0,0]=3 3010 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,1,0,0|2,0,0]=3 3011 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,1,0,0|2,0,0]=3 3012 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,0|1,0,0]=2 3013 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,0|1,0,0]=2 3014 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 3015 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 3016 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,1,0,0|3,0,0]=4 3017 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,1,0,0|3,0,0]=4 3018 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,1,0,0|2,1,0]=4 3019 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|1,1,0]=3 3020 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,1,0,0|2,1,0]=4 3021 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,0,0,1,0,0|0,0,2]=3 3022 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,0,0,1,0,0|0,0,2]=3 3023 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,1,0,0|2,0,0]=3 3024 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,1,0,0|2,0,0]=3 3025 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|1,0,0]=2 3026 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|1,0,0]=2 3027 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,1,0,0|2,0,0]=3 3028 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,1,0,0|2,0,0]=3 3029 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,0|1,0,0]=2 3030 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,0|1,0,0]=2 3031 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,0,0,1,0,0|2,0,1]=4 3032 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,0,0,1,0,0|1,1,1]=4 3033 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,0,0,1,0,0|2,0,1]=4 3034 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,0,0,1,0,0|1,1,1]=4 3035 B9R1.11 C=CC(=O)N1CCSC1 240690a_100011215254_200121576911 [0,0,0,1,0,0|2,0,1]=4 3036 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,0,0,1,0,0|2,0,1]=4 3037 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,0,0,1,0,0|2,0,1]=4 3038 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,0,0,1,0,0|2,0,1]=4 3039 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,1,0,0|2,0,0]=3 3040 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,1,0,0|2,0,0]=3 3041 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,1,0,0|3,0,0]=4 3042 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,0,1,0,0|1,1,0]=3 3043 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,0,1,0,0|1,1,0]=3 3044 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,1,0,0|3,0,0]=4 3045 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,1,0,0|3,0,0]=4 3046 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,0,0,1,0,0|2,0,0]=3 3047 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,0,0,1,0,0|2,0,0]=3 3048 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,0,0,1,0,0|2,0,0]=3 3049 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,1,0,0|3,0,0]=4 3050 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,0,0,1,0,0|2,0,1]=4 3051 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,0,0,1,0,0|2,0,1]=4 3052 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,0,0,1,0,0|2,0,1]=4 3053 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,0,0,1,0,0|2,0,1]=4 3054 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,1,0,0|2,0,0]=3 3055 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,1,0,0|2,0,0]=3 3056 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,1,0,0|2,0,0]=3 3057 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,1,0,0|2,0,0]=3 3058 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,0,0,1,0,0|3,0,0]=4 3059 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,0,0,1,0,0|3,0,0]=4 3060 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,0,0,1,0,0|3,0,0]=4 3061 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,0,0,1,0,0|3,0,0]=4 3062 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,0,0,1,0,0|1,1,0]=3 3063 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,0,0,1,0,0|1,1,0]=3 3064 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,0,0,1,0,0|1,1,0]=3 3065 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,0,0,1,0,0|1,1,0]=3 3066 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,0,0,1,0,0|3,0,0]=4 3067 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,0,0,1,0,0|3,0,0]=4 3068 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,0,0,1,0,0|2,0,0]=3 3069 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,0,0,1,0,0|2,0,0]=3 3070 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,0,0,1,0,0|3,0,0]=4 3071 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,0,0,1,0,0|3,0,0]=4 3072 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,0,0,1,0,0|3,0,0]=4 3073 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,0,0,1,0,0|3,0,0]=4 3074 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,0,0,1,0,0|2,0,1]=4 3075 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,0,0,1,0,0|2,0,1]=4 3076 B9R1.11 COC(C)N1CCSC1 269982a_100011215254_100009879195 [0,0,0,1,0,0|2,0,1]=4 3077 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,0,0,1,0,0|3,0,0]=4 3078 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,0,0,1,0,0|2,1,0]=4 3079 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,0,0,1,0,0|3,0,0]=4 3080 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,0,0,1,0,0|2,1,0]=4 3081 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,0,0,1,0,0|3,0,0]=4 3082 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,0,0,1,0,0|3,0,0]=4 3083 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [0,0,0,1,0,0|2,0,1]=4 3084 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [0,0,0,1,0,0|2,0,1]=4 3085 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [0,0,0,1,0,0|2,0,1]=4 3086 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [0,0,0,1,0,0|2,0,1]=4 3087 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [0,0,0,1,0,0|2,0,1]=4 3088 B9R1.21 CCN1CCC(C1)SC 62a_200000210301_200011861547 [0,0,0,1,0,0|3,0,0]=4 3089 B9R1.21 CCN1CCC(C1)S[13CH3] 62a_200025704644_200011861547 [0,0,0,1,0,0|3,0,0]=4 3090 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|3,0,0]=4 3091 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|3,0,0]=4 3092 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|3,0,0]=4 3093 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|2,0,0]=3 3094 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|2,0,0]=3 3095 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,0,1,0,0|2,1,0]=4 3096 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,0,1,0,0|2,1,0]=4 3097 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|1,0,0]=2 3098 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|1,0,0]=2 3099 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,0,1,0,0|2,0,0]=3 3100 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,0,1,0,0|2,0,0]=3 3101 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|1,0,0]=2 3102 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|1,0,0]=2 3103 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 3104 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 3105 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 3106 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 3107 B9R1.58 COC1CN(C1)CSC 269982a_100000755009_100011218213 [0,0,0,1,0,0|2,0,1]=4 3108 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,0,0,1,0,0|2,0,1]=4 3109 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,0,0,1,0,0|1,1,1]=4 3110 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,0,0,1,0,0|2,0,1]=4 3111 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,0,0,1,0,0|1,1,1]=4 3112 B9R1.79 C=CC(=O)NC1CSC1 1626a_100016994217_100000185746 [0,0,0,1,0,0|2,0,1]=4 3113 B9R1.79 C=CC(=O)NC1CSC1 240690a_100016994217_200121576911 [0,0,0,1,0,0|2,0,1]=4 3114 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,0,1,0,0|2,0,0]=3 3115 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,0,1,0,0|2,0,0]=3 3116 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,0,1,0,0|3,0,0]=4 3117 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,0,0,1,0,0|1,1,0]=3 3118 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,0,0,1,0,0|1,1,0]=3 3119 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,0,1,0,0|3,0,0]=4 3120 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,0,1,0,0|3,0,0]=4 3121 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,0,1,0,0|3,0,0]=4 3122 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,0,1,0,0|3,0,0]=4 3123 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,0,1,0,0|3,0,0]=4 3124 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,0,0,1,0,0|2,1,0]=4 3125 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,0,0,1,0,0|2,1,0]=4 3126 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,0,0,1,0,0|2,1,0]=4 3127 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,0,0,1,0,0|2,1,0]=4 3128 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,0,0,1,0,0|2,0,0]=3 3129 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,0,0,1,0,0|2,0,0]=3 3130 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,0,0,1,0,0|2,0,0]=3 3131 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,0,0,1,0,0|2,0,0]=3 3132 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,0,1,0,0|2,0,0]=3 3133 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,0,1,0,0|2,0,0]=3 3134 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,0,1,0,0|2,0,0]=3 3135 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,0,1,0,0|2,0,0]=3 3136 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,0,0,1,0,0|1,1,0]=3 3137 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,0,0,1,0,0|1,1,0]=3 3138 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,0,0,1,0,0|3,0,0]=4 3139 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,0,0,1,0,0|3,0,0]=4 3140 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,0,0,1,0,0|3,0,0]=4 3141 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,0,0,1,0,0|3,0,0]=4 3142 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,0,0,1,0,0|3,0,0]=4 3143 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,0,0,1,0,0|3,0,0]=4 3144 B9R1.79 CNC(=O)NC1COC1 2708a_100016991112_106832991635 [0,0,0,1,0,0|2,1,0]=4 3145 B9R1.79 CNC(=O)NC1COC1 2708a_100102657272_100016991112 [0,0,0,1,0,0|2,1,0]=4 3146 B9R1.79 CNC(=O)NC1COC1 273464a_100016991112_100102657272 [0,0,0,1,0,0|2,1,0]=4 3147 B9R1.79 CNC(=O)NC1COC1 273464a_100102657272_100016991112 [0,0,0,1,0,0|2,1,0]=4 3148 B9R1.79 CNC(=O)NC1COC1 512a_100016991112_100102657272 [0,0,0,1,0,0|2,1,0]=4 3149 B9R1.79 CNC(=O)NC1COC1 512a_106832991638_100016991112 [0,0,0,1,0,0|2,1,0]=4 3150 B9R1.79 CNC(=O)NC1CSC1 2708a_100016994217_106832991635 [0,0,0,1,0,0|2,0,0]=3 3151 B9R1.79 CNC(=O)NC1CSC1 2708a_100102657272_100016994217 [0,0,0,1,0,0|2,0,0]=3 3152 B9R1.79 CNC(=O)NC1CSC1 273464a_100016994217_100102657272 [0,0,0,1,0,0|2,0,0]=3 3153 B9R1.79 CNC(=O)NC1CSC1 273464a_100102657272_100016994217 [0,0,0,1,0,0|2,0,0]=3 3154 B9R1.79 CNC(=O)NC1CSC1 512a_100016994217_100102657272 [0,0,0,1,0,0|2,0,0]=3 3155 B9R1.79 CNC(=O)NC1CSC1 512a_106832991638_100016994217 [0,0,0,1,0,0|2,0,0]=3 3156 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,0,0,1,0,0|2,0,0]=3 3157 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,0,0,1,0,0|3,0,0]=4 3158 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,0,0,1,0,0|2,1,0]=4 3159 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,0,1,0,0|3,0,0]=4 3160 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,0,0,1,0,0|2,1,0]=4 3161 B9R1.79 O=C(CO)NC1CSC1 240690a_100016994217_100000210174 [0,0,0,1,0,0|3,0,0]=4 3162 B9R1.79 O=C(CO)NC1CSC1 527a_100016994217_100000210174 [0,0,0,1,0,0|3,0,0]=4 3163 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,0,0,1,0,0|2,0,1]=4 3164 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,0,0,1,0,0|1,1,1]=4 3165 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,0,0,1,0,0|2,0,1]=4 3166 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,0,0,1,0,0|1,1,1]=4 3167 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,0,1,0,0|2,0,0]=3 3168 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,0,1,0,0|2,0,0]=3 3169 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,0,1,0,0|1,1,0]=3 3170 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,0,1,0,0|3,0,0]=4 3171 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,0,1,0,0|3,0,0]=4 3172 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,0,1,0,0|3,0,0]=4 3173 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,0,1,0,0|3,0,0]=4 3174 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,0,1,0,0|3,0,0]=4 3175 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,0,1,0,0|3,0,0]=4 3176 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,0,1,0,0|2,0,0]=3 3177 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,0,1,0,0|2,0,0]=3 3178 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,0,1,0,0|2,0,0]=3 3179 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,0,1,0,0|2,0,0]=3 3180 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,0,0,1,0,0|3,0,0]=4 3181 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,0,0,1,0,0|3,0,0]=4 3182 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,0,0,1,0,0|3,0,0]=4 3183 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,0,0,1,0,0|3,0,0]=4 3184 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,0,0,1,0,0|3,0,0]=4 3185 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,0,0,1,0,0|3,0,0]=4 3186 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,0,0,1,0,0|3,0,0]=4 3187 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,0,0,1,0,0|3,0,0]=4 3188 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,0,0,1,0,0|3,0,0]=4 3189 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,0,0,1,0,0|2,0,0]=3 3190 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,0,0,1,0,0|2,0,0]=3 3191 B9R1.80 COC(C)SCC1CS1 62a_100000031435_100009879195 [0,0,0,1,0,0|2,0,1]=4 3192 B9R1.80 COC(C)SCC1CS1 62a_100009879195_100000031435 [0,0,0,1,0,0|2,0,1]=4 3193 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,0,0,1,0,0|3,0,0]=4 3194 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,0,0,1,0,0|3,0,0]=4 3195 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,0,0,1,0,0|2,1,0]=4 3196 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,0,0,1,0,0|3,0,0]=4 3197 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,0,0,1,0,0|3,0,0]=4 3198 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,0,0,1,0,0|3,0,0]=4 3199 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,0,0,1,0,0|3,0,0]=4 3200 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,0,0,1,0,0|3,0,0]=4 3201 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,0,0,1,0,0|3,0,0]=4 3202 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,0,0,1,0,0|1,0,0]=2 3203 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,0,0,1,0,0|1,0,0]=2 3204 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,0,0,1,0,0|1,0,0]=2 3205 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,0,0,1,0,0|1,0,0]=2 3206 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,0,1,0,0|2,0,0]=3 3207 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [0,0,0,1,0,0|3,0,0]=4 3208 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,0,0,1,0,0|3,0,0]=4 3209 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,0,0,1,0,0|2,0,0]=3 3210 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,0,0,1,0,0|2,0,0]=3 3211 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,0,0,1,0,0|2,0,0]=3 3212 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,0,0,1,0,0|2,0,0]=3 3213 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,0,0,1,0,0|2,0,0]=3 3214 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 11a_106832991635_100015294237 [0,0,0,1,0,0|3,0,0]=4 3215 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 1626a_100102657272_100015294237 [0,0,0,1,0,0|3,0,0]=4 3216 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 240690a_100102657272_100015294237 [0,0,0,1,0,0|3,0,0]=4 3217 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|2,0,1]=4 3218 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|2,0,1]=4 3219 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|2,0,1]=4 3220 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|2,0,1]=4 3221 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|2,0,1]=4 3222 B9R1.99 CSCSCC1(CO1)C 62a_100000760498_100011218213 [0,0,0,1,0,0|2,0,1]=4 3223 B9R1.99 CSCSCC1(CO1)C 62a_100011218213_100000760498 [0,0,0,1,0,0|2,0,1]=4 3224 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,0,0,1,0,0|2,0,1]=4 3225 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,0,0,1,0,0|2,0,1]=4 3226 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,0,0,1,0,0|2,0,1]=4 3227 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,0,0,1,0,0|2,0,1]=4 3228 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [2,0,0,0,0,0|1,0,1]=4 3229 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [2,0,0,0,0,0|1,0,1]=4 3230 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [2,0,0,0,0,0|1,0,1]=4 3231 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [2,0,0,0,0,0|1,0,1]=4 3232 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [2,0,0,0,0,0|1,0,1]=4 3233 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [2,0,0,0,0,0|0,0,2]=4 3234 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [2,0,0,0,0,0|0,0,2]=4 3235 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [2,0,0,0,0,0|0,0,2]=4 3236 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [2,0,0,0,0,0|0,0,2]=4 3237 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|0,1,1]=4 3238 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|0,1,1]=4 3239 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|2,0,0]=4 3240 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|2,0,0]=4 3241 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|2,0,0]=4 3242 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|2,0,0]=4 3243 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 3244 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 3245 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 3246 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 3247 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 3248 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 3249 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 3250 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|0,1,1]=4 3251 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|0,1,1]=4 3252 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|0,1,1]=4 3253 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|0,1,1]=4 3254 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|0,1,1]=4 3255 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|0,0,1]=3 3256 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|0,0,1]=3 3257 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|0,0,1]=3 3258 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|0,0,1]=3 3259 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [2,0,0,0,0,0|1,0,1]=4 3260 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [2,0,0,0,0,0|1,0,1]=4 3261 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [2,0,0,0,0,0|1,0,1]=4 3262 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [2,0,0,0,0,0|1,0,1]=4 3263 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|1,0,1]=4 3264 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|1,0,1]=4 3265 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|1,0,1]=4 3266 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|1,0,1]=4 3267 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [2,0,0,0,0,0|1,0,1]=4 3268 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [2,0,0,0,0,0|1,0,1]=4 3269 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|1,0,1]=4 3270 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|1,0,1]=4 3271 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|1,0,1]=4 3272 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|1,0,1]=4 3273 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|2,0,0]=4 3274 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|2,0,0]=4 3275 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|2,0,0]=4 3276 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|2,0,0]=4 3277 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 3278 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 3279 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 3280 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 3281 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 3282 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,0,1]=3 3283 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,0,1]=3 3284 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,0,1]=3 3285 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,0,1]=3 3286 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,0,1]=3 3287 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|0,0,1]=3 3288 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|0,0,1]=3 3289 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|0,0,1]=3 3290 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|0,0,1]=3 3291 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|2,0,0]=4 3292 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|2,0,0]=4 3293 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|2,0,0]=4 3294 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|2,0,0]=4 3295 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|2,0,0]=4 3296 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|2,0,0]=4 3297 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|2,0,0]=4 3298 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|2,0,0]=4 3299 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|2,0,0]=4 3300 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|1,0,1]=4 3301 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|2,0,0]=4 3302 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|2,0,0]=4 3303 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|1,0,1]=4 3304 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|1,0,1]=4 3305 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|1,0,1]=4 3306 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|1,0,1]=4 3307 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|1,0,1]=4 3308 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|1,0,1]=4 3309 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|1,0,1]=4 3310 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|1,0,1]=4 3311 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 3312 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 3313 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 3314 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 3315 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 3316 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 3317 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 3318 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 3319 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 3320 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 3321 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 3322 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 3323 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 3324 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 3325 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|1,0,1]=4 3326 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|1,0,1]=4 3327 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|1,0,1]=4 3328 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|1,0,1]=4 3329 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|1,0,1]=4 3330 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|1,0,1]=4 3331 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|1,0,1]=4 3332 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|1,0,1]=4 3333 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|1,0,1]=4 3334 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|1,0,1]=4 3335 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|1,0,1]=4 3336 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|1,0,1]=4 3337 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|1,0,1]=4 3338 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 3339 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 3340 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 3341 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 3342 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 3343 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 3344 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 3345 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|1,0,0]=3 3346 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|1,0,0]=3 3347 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|1,0,0]=3 3348 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|1,0,0]=3 3349 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|1,0,0]=3 3350 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|1,0,0]=3 3351 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|1,0,0]=3 3352 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|1,0,1]=4 3353 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 3354 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 3355 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|1,0,1]=4 3356 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|1,0,1]=4 3357 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|1,0,1]=4 3358 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|1,0,1]=4 3359 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 3360 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|0,1,1]=4 3361 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|1,0,0]=3 3362 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|0,1,0]=3 3363 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|0,1,0]=3 3364 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|0,1,0]=3 3365 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|0,0,0]=2 3366 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|0,0,0]=2 3367 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|0,0,0]=2 3368 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|0,0,0]=2 3369 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|0,0,0]=2 3370 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|0,0,0]=2 3371 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|1,1,0]=4 3372 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|1,1,0]=4 3373 B6R0.6 COCSCOC 62a_100000766300_100000766300 [2,0,0,0,0,0|1,1,0]=4 3374 B6R0.6 COCSCSC 62a_100000766300_100011218213 [2,0,0,0,0,0|1,0,0]=3 3375 B6R0.6 COCSCSC 62a_100011218213_100000766300 [2,0,0,0,0,0|1,0,0]=3 3376 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [2,0,0,0,0,0|1,0,1]=4 3377 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [2,0,0,0,0,0|1,0,1]=4 3378 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|0,0,0]=2 3379 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|0,0,0]=2 3380 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|1,0,1]=4 3381 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|1,0,1]=4 3382 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|0,0,1]=3 3383 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|0,0,1]=3 3384 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|1,0,0]=3 3385 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|0,0,0]=2 3386 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|0,0,0]=2 3387 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|1,0,1]=4 3388 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|1,0,1]=4 3389 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|1,0,0]=3 3390 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|1,0,0]=3 3391 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|1,0,1]=4 3392 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|1,0,1]=4 3393 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [2,0,0,0,0,0|1,1,0]=4 3394 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 3395 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 3396 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|1,0,1]=4 3397 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 3398 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 3399 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|1,0,1]=4 3400 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|1,0,1]=4 3401 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|1,0,1]=4 3402 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 3403 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [2,0,0,0,0,0|1,0,1]=4 3404 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [2,0,0,0,0,0|1,0,1]=4 3405 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|0,0,0]=2 3406 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|0,0,0]=2 3407 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|1,0,1]=4 3408 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|1,0,1]=4 3409 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|0,0,1]=3 3410 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|0,0,1]=3 3411 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|1,0,1]=4 3412 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,1]=4 3413 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|2,0,0]=4 3414 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,1,0]=4 3415 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,1,0]=4 3416 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|2,0,0]=4 3417 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,1,0]=4 3418 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,1,0]=4 3419 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,1,0]=4 3420 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 3421 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 3422 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 3423 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 3424 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 3425 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,0]=3 3426 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,0]=3 3427 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|2,0,0]=4 3428 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|2,0,0]=4 3429 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 3430 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3431 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3432 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3433 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 3434 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 3435 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 3436 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 3437 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 3438 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 3439 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 3440 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 3441 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 3442 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 3443 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 3444 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 3445 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 3446 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 3447 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|1,1,0]=4 3448 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 3449 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|1,1,0]=4 3450 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|1,1,0]=4 3451 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|1,1,0]=4 3452 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|1,1,0]=4 3453 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|1,1,0]=4 3454 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|1,1,0]=4 3455 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|1,1,0]=4 3456 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|1,0,0]=3 3457 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|1,0,0]=3 3458 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|1,0,0]=3 3459 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|1,0,0]=3 3460 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|1,0,0]=3 3461 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|1,0,0]=3 3462 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|1,0,0]=3 3463 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|1,0,0]=3 3464 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 3465 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 3466 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 3467 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 3468 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 3469 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 3470 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 3471 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|0,0,0]=2 3472 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|0,0,0]=2 3473 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|0,0,0]=2 3474 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|0,0,0]=2 3475 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|0,1,0]=3 3476 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 3477 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 3478 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 3479 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 3480 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 3481 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 3482 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 3483 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 3484 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,1,0]=4 3485 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,1,0]=4 3486 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,1,0]=4 3487 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,0,0]=3 3488 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,0,0]=3 3489 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,0,0]=3 3490 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,0,0]=3 3491 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 3492 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 3493 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 3494 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 3495 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 3496 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 3497 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 3498 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 3499 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 3500 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|1,0,1]=4 3501 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|1,0,1]=4 3502 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 3503 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 3504 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 3505 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|0,1,0]=3 3506 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|0,1,0]=3 3507 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|0,1,0]=3 3508 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|0,0,0]=2 3509 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|0,0,0]=2 3510 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 3511 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 3512 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 3513 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 3514 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 3515 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|1,1,0]=4 3516 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|1,1,0]=4 3517 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,0,0]=3 3518 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,0,0]=3 3519 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|1,0,1]=4 3520 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|1,0,1]=4 3521 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|0,0,2]=4 3522 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|0,0,2]=4 3523 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 3524 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 3525 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 3526 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 3527 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 3528 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 3529 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 3530 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 3531 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 3532 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 3533 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 3534 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 3535 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 3536 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 3537 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 3538 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 3539 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3540 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3541 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3542 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 3543 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 3544 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 3545 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 3546 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 3547 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 3548 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 3549 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 3550 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 3551 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 3552 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 3553 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 3554 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 3555 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 3556 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 3557 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 3558 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [2,0,0,0,0,0|2,0,0]=4 3559 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 3560 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 3561 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 3562 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 3563 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 3564 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 3565 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|0,1,0]=3 3566 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|0,1,0]=3 3567 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|0,1,0]=3 3568 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|0,1,0]=3 3569 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|1,1,0]=4 3570 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|1,1,0]=4 3571 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|1,1,0]=4 3572 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|0,1,0]=3 3573 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,1,0]=4 3574 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|1,0,1]=4 3575 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|1,0,1]=4 3576 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|0,0,0]=2 3577 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|0,0,0]=2 3578 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|0,0,0]=2 3579 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|0,0,0]=2 3580 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|1,0,0]=3 3581 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|1,0,0]=3 3582 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|0,0,0]=2 3583 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|1,0,1]=4 3584 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|1,0,1]=4 3585 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|0,0,2]=4 3586 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|0,0,2]=4 3587 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 3588 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [2,0,0,0,0,0|2,0,0]=4 3589 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 3590 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [2,0,0,0,0,0|2,0,0]=4 3591 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [2,0,0,0,0,0|2,0,0]=4 3592 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 3593 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 3594 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,0,0]=3 3595 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,0,0]=3 3596 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 3597 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 3598 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 3599 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|1,1,0]=4 3600 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|1,1,0]=4 3601 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|1,0,0]=3 3602 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|1,0,0]=3 3603 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [1,1,0,0,0,0|2,0,0]=4 3604 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,1,0,0,0,0|1,0,1]=4 3605 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,1]=4 3606 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,1,0,0,0,0|1,0,1]=4 3607 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 3608 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 3609 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 3610 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 3611 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 3612 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 3613 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3614 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3615 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 3616 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 3617 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,1]=4 3618 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,1]=4 3619 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [1,1,0,0,0,0|2,0,0]=4 3620 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|0,0,2]=4 3621 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [1,1,0,0,0,0|1,0,1]=4 3622 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [1,1,0,0,0,0|1,0,1]=4 3623 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|0,0,2]=4 3624 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [1,1,0,0,0,0|1,0,1]=4 3625 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [1,1,0,0,0,0|1,0,1]=4 3626 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [1,1,0,0,0,0|1,0,1]=4 3627 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [1,1,0,0,0,0|1,0,1]=4 3628 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [1,1,0,0,0,0|1,0,1]=4 3629 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [1,1,0,0,0,0|1,0,1]=4 3630 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|0,0,1]=3 3631 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|0,0,1]=3 3632 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|2,0,0]=4 3633 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|1,0,0]=3 3634 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|2,0,0]=4 3635 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|2,0,0]=4 3636 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|2,0,0]=4 3637 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|2,0,0]=4 3638 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|1,1,0]=4 3639 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|1,1,0]=4 3640 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|1,0,0]=3 3641 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|1,0,0]=3 3642 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|1,0,0]=3 3643 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|2,0,0]=4 3644 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|2,0,0]=4 3645 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|1,1,0]=4 3646 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|1,1,0]=4 3647 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|1,0,0]=3 3648 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|1,0,0]=3 3649 B8R0.4 CC#CCCOCSC 34a_100000750427_100011218213 [1,1,0,0,0,0|1,0,1]=4 3650 B8R0.4 CC#CCNCCSC 2230a_100000685387_100000751147 [1,1,0,0,0,0|1,0,1]=4 3651 B8R0.4 CC#CCNCCSC 2230a_100020590264_100000748600 [1,1,0,0,0,0|1,0,1]=4 3652 B8R0.4 CC#CCNCCSC 34a_100000685387_100000212216 [1,1,0,0,0,0|1,0,1]=4 3653 B8R0.4 CC#CCOCCSC 34a_100000230434_100000748600 [1,1,0,0,0,0|1,0,1]=4 3654 B8R0.4 CC#CCOCCSC 34a_100000761923_100000212216 [1,1,0,0,0,0|1,0,1]=4 3655 B8R0.4 CC#CCOCCSC 7a_100000230434_100000748600 [1,1,0,0,0,0|1,0,1]=4 3656 B8R0.4 CC#CCSCCSC 62a_100000212216_100000748600 [1,1,0,0,0,0|1,0,1]=4 3657 B8R0.4 CC#CCSCCSC 62a_100000748600_100000751147 [1,1,0,0,0,0|1,0,1]=4 3658 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|1,1,0]=4 3659 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|1,1,0]=4 3660 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|1,1,0]=4 3661 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|1,1,0]=4 3662 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|1,0,1]=4 3663 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|1,0,1]=4 3664 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,1,0,0,0,0|1,0,1]=4 3665 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,1,0,0,0,0|1,0,1]=4 3666 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,1,0,0,0,0|1,0,1]=4 3667 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,1,0,0,0,0|1,0,1]=4 3668 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,1,0,0,0,0|1,0,1]=4 3669 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|1,1,0]=4 3670 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,1,0]=4 3671 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|2,0,0]=4 3672 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|2,0,0]=4 3673 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|1,1,0]=4 3674 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|1,0,0]=3 3675 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|2,0,0]=4 3676 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|2,0,0]=4 3677 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|1,1,0]=4 3678 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|1,0,0]=3 3679 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|1,0,0]=3 3680 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|2,0,0]=4 3681 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|2,0,0]=4 3682 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|1,1,0]=4 3683 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|1,1,0]=4 3684 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|1,0,0]=3 3685 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|1,0,0]=3 3686 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|1,0,1]=4 3687 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|1,0,1]=4 3688 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|1,0,1]=4 3689 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|1,0,1]=4 3690 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|1,0,1]=4 3691 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|1,0,1]=4 3692 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|1,0,1]=4 3693 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|1,0,1]=4 3694 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|1,0,1]=4 3695 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|1,0,1]=4 3696 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|1,0,1]=4 3697 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|1,0,1]=4 3698 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|1,0,1]=4 3699 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 3700 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|1,0,1]=4 3701 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 3702 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,1,0,0,0,0|1,0,1]=4 3703 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,1,0,0,0,0|1,0,1]=4 3704 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|1,0,1]=4 3705 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|1,0,1]=4 3706 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,1]=4 3707 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,1]=4 3708 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,1,0,0,0,0|1,0,1]=4 3709 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|1,0,1]=4 3710 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,1]=4 3711 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,1,0,0,0,0|1,0,1]=4 3712 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,1,0,0,0,0|1,0,1]=4 3713 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|1,0,1]=4 3714 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|1,0,1]=4 3715 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|1,0,1]=4 3716 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|1,0,1]=4 3717 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|1,0,1]=4 3718 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,1]=4 3719 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,1]=4 3720 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,1]=4 3721 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|1,0,1]=4 3722 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|1,0,1]=4 3723 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|1,0,1]=4 3724 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|1,0,1]=4 3725 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|1,0,1]=4 3726 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|1,0,1]=4 3727 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|1,0,1]=4 3728 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|1,0,1]=4 3729 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 3730 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|1,0,1]=4 3731 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|1,0,1]=4 3732 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|1,0,1]=4 3733 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 3734 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|1,0,1]=4 3735 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|1,0,1]=4 3736 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|1,0,1]=4 3737 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|1,0,1]=4 3738 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|1,0,1]=4 3739 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|1,0,1]=4 3740 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|1,0,1]=4 3741 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|1,0,1]=4 3742 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|1,0,1]=4 3743 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|1,0,1]=4 3744 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|1,0,1]=4 3745 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|1,0,1]=4 3746 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,1]=4 3747 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|1,0,1]=4 3748 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|1,0,1]=4 3749 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|1,0,1]=4 3750 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|1,0,1]=4 3751 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|1,0,1]=4 3752 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|1,0,1]=4 3753 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,1,0,0,0,0|1,0,1]=4 3754 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|0,1,1]=4 3755 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|0,1,1]=4 3756 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|0,0,1]=3 3757 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|0,0,1]=3 3758 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,1,0,0,0,0|2,0,0]=4 3759 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,1,0,0,0,0|2,0,0]=4 3760 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,1,0,0,0,0|2,0,0]=4 3761 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,1,0,0,0,0|2,0,0]=4 3762 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,1,0,0,0,0|2,0,0]=4 3763 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,1,0,0,0,0|2,0,0]=4 3764 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,1,0,0,0,0|1,0,1]=4 3765 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,1,0,0,0,0|1,0,1]=4 3766 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,1,0,0,0,0|1,0,1]=4 3767 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,1,0,0,0,0|1,0,1]=4 3768 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,1,0,0,0,0|1,0,1]=4 3769 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,1,0,0,0,0|1,0,1]=4 3770 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,1,0,0,0,0|1,0,1]=4 3771 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|0,0,1]=3 3772 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|0,0,1]=3 3773 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,1,0,0,0,0|1,0,1]=4 3774 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,1,0,0,0,0|2,0,0]=4 3775 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,1,0,0,0,0|2,0,0]=4 3776 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,1,0,0,0,0|1,0,1]=4 3777 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,1,0,0,0,0|1,0,1]=4 3778 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,1,0,0,0,0|2,0,0]=4 3779 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,1,0,0,0,0|2,0,0]=4 3780 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,1,0,0,0,0|1,0,1]=4 3781 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,1,0,0,0,0|1,0,1]=4 3782 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|1,0,1]=4 3783 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 3784 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|1,0,1]=4 3785 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 3786 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,1,0,0,0,0|1,0,1]=4 3787 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3788 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,1,0,0,0,0|1,0,1]=4 3789 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 3790 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3791 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,1,0,0,0,0|1,0,1]=4 3792 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,1,0,0,0,0|1,0,1]=4 3793 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 3794 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 3795 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 3796 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 3797 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 3798 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 3799 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|1,0,1]=4 3800 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 3801 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 3802 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|1,0,1]=4 3803 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|1,0,1]=4 3804 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|1,0,1]=4 3805 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,1,0,0,0,0|0,1,1]=4 3806 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,1,0,0,0,0|0,0,1]=3 3807 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,1,0,0,0,0|0,0,1]=3 3808 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,1,0,0,0,0|0,0,1]=3 3809 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|0,0,1]=3 3810 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,1,0,0,0,0|0,1,1]=4 3811 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,1,0,0,0,0|0,1,1]=4 3812 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,1,0,0,0,0|0,0,1]=3 3813 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,1,0,0,0,0|0,0,1]=3 3814 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [1,1,0,0,0,0|0,1,1]=4 3815 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,1,0,0,0,0|0,0,1]=3 3816 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,1,0,0,0,0|0,0,1]=3 3817 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3818 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3819 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,1,0,0,0,0|0,1,1]=4 3820 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,1,0,0,0,0|0,1,1]=4 3821 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,1,0,0,0,0|0,1,1]=4 3822 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,1,0,0,0,0|0,1,1]=4 3823 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,1,0,0,0,0|0,1,1]=4 3824 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,1,0,0,0,0|0,1,1]=4 3825 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,1,0,0,0,0|0,0,1]=3 3826 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,1,0,0,0,0|0,0,1]=3 3827 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,1,0,0,0,0|0,0,1]=3 3828 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,1,0,0,0,0|0,0,1]=3 3829 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,1,0,0,0,0|0,0,1]=3 3830 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,1,0,0,0,0|0,0,1]=3 3831 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,1,0,0,0,0|0,0,1]=3 3832 B8R0.4 COCCOCSCF 62a_100000231047_100015361967 [1,1,0,0,0,0|1,0,1]=4 3833 B8R0.4 COCCOCSCF 62a_100015361967_100000231047 [1,1,0,0,0,0|1,0,1]=4 3834 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [1,1,0,0,0,0|0,1,1]=4 3835 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,1,0,0,0,0|0,0,1]=3 3836 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,1,0,0,0,0|0,0,1]=3 3837 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,1,0,0,0,0|0,0,1]=3 3838 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,1]=4 3839 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,1]=4 3840 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 3841 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|1,0,1]=4 3842 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,1,0,0,0,0|0,0,1]=3 3843 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,1,0,0,0,0|0,0,1]=3 3844 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,1,0,0,0,0|2,0,0]=4 3845 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,1,0,0,0,0|2,0,0]=4 3846 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,1,0,0,0,0|0,1,1]=4 3847 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 3848 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 3849 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|2,0,0]=4 3850 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|2,0,0]=4 3851 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,1,0,0,0,0|0,1,1]=4 3852 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,1,0,0,0,0|0,1,1]=4 3853 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [1,1,0,0,0,0|1,0,1]=4 3854 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,1,0,0,0,0|0,1,1]=4 3855 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,1,0,0,0,0|0,1,1]=4 3856 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,1,0,0,0,0|0,1,1]=4 3857 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 3858 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 3859 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 3860 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 3861 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 3862 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 3863 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 3864 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,1]=4 3865 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,1]=4 3866 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 3867 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|1,0,1]=4 3868 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,1]=4 3869 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,1]=4 3870 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|2,0,0]=4 3871 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|2,0,0]=4 3872 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|2,0,0]=4 3873 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|2,0,0]=4 3874 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,1,0,0,0,0|2,0,0]=4 3875 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,1,0,0,0,0|2,0,0]=4 3876 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3877 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3878 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 3879 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 3880 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,1,0,0,0,0|1,0,1]=4 3881 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,1]=4 3882 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,1]=4 3883 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3884 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,1]=4 3885 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3886 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 3887 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 3888 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,1]=4 3889 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,1]=4 3890 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 3891 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 3892 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,1,0,0,0,0|1,0,1]=4 3893 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 3894 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 3895 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 3896 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 3897 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|2,0,0]=4 3898 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|2,0,0]=4 3899 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|2,0,0]=4 3900 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,1,0,0,0,0|2,0,0]=4 3901 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,1,0,0,0,0|2,0,0]=4 3902 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 3903 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 3904 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|2,0,0]=4 3905 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|2,0,0]=4 3906 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,1,0,0,0,0|2,0,0]=4 3907 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,1,0,0,0,0|2,0,0]=4 3908 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,1,0,0,0,0|2,0,0]=4 3909 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,1,0,0,0,0|2,0,0]=4 3910 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|1,0,1]=4 3911 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|1,0,1]=4 3912 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|0,1,1]=4 3913 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|0,0,1]=3 3914 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|0,0,1]=3 3915 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|0,0,1]=3 3916 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|0,0,1]=3 3917 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|1,0,1]=4 3918 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,1,0]=4 3919 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|1,1,0]=4 3920 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|1,1,0]=4 3921 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|1,0,0]=3 3922 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,1]=4 3923 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|1,0,0]=3 3924 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|1,0,0]=3 3925 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|2,0,0]=4 3926 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|2,0,0]=4 3927 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,0]=3 3928 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3929 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3930 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3931 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [1,1,0,0,0,0|1,0,1]=4 3932 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [1,1,0,0,0,0|1,0,1]=4 3933 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [1,1,0,0,0,0|1,0,1]=4 3934 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [1,1,0,0,0,0|1,0,1]=4 3935 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 3936 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 3937 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 3938 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 3939 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 3940 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 3941 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|1,0,0]=3 3942 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|2,0,0]=4 3943 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,0]=3 3944 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,1,0,0,0,0|1,0,1]=4 3945 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,1,0,0,0,0|1,0,1]=4 3946 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,1,0,0,0,0|1,0,1]=4 3947 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|2,0,0]=4 3948 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,1,0,0,0,0|2,0,0]=4 3949 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|1,0,0]=3 3950 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [1,1,0,0,0,0|2,0,0]=4 3951 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 3952 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 3953 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|2,0,0]=4 3954 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,1,0,0,0,0|2,0,0]=4 3955 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3956 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3957 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,1,0,0,0,0|2,0,0]=4 3958 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3959 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|1,0,0]=3 3960 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|1,0,0]=3 3961 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [1,1,0,0,0,0|2,0,0]=4 3962 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|2,0,0]=4 3963 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|2,0,0]=4 3964 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|2,0,0]=4 3965 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [1,1,0,0,0,0|2,0,0]=4 3966 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3967 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3968 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3969 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [1,1,0,0,0,0|2,0,0]=4 3970 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [1,1,0,0,0,0|2,0,0]=4 3971 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|1,0,0]=3 3972 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|1,0,0]=3 3973 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [1,1,0,0,0,0|2,0,0]=4 3974 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [1,1,0,0,0,0|2,0,0]=4 3975 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3976 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3977 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,1,0,0,0,0|1,1,0]=4 3978 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,1,0,0,0,0|1,1,0]=4 3979 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,1,0,0,0,0|1,1,0]=4 3980 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,1,0,0,0,0|1,1,0]=4 3981 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|1,0,0]=3 3982 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|1,0,0]=3 3983 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|1,0,0]=3 3984 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|1,0,0]=3 3985 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|1,0,1]=4 3986 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3987 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3988 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|1,0,0]=3 3989 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|0,0,1]=3 3990 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|0,0,1]=3 3991 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|0,0,1]=3 3992 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|0,0,1]=3 3993 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|0,1,0]=3 3994 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|0,1,0]=3 3995 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|0,0,0]=2 3996 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|0,0,0]=2 3997 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|0,0,0]=2 3998 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|0,0,0]=2 3999 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [1,1,0,0,0,0|2,0,0]=4 4000 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [1,1,0,0,0,0|2,0,0]=4 4001 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [1,1,0,0,0,0|2,0,0]=4 4002 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|0,1,0]=3 4003 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|0,1,0]=3 4004 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|0,1,1]=4 4005 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|0,1,0]=3 4006 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|0,1,0]=3 4007 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|0,1,0]=3 4008 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|0,1,0]=3 4009 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|0,1,0]=3 4010 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [1,1,0,0,0,0|2,0,0]=4 4011 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|1,0,0]=3 4012 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|2,0,0]=4 4013 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|1,1,0]=4 4014 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|1,1,0]=4 4015 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|1,0,0]=3 4016 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 4017 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 4018 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|2,0,0]=4 4019 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|1,1,0]=4 4020 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [1,1,0,0,0,0|2,0,0]=4 4021 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [1,1,0,0,0,0|2,0,0]=4 4022 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,1,0,0,0,0|2,0,0]=4 4023 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|1,1,0]=4 4024 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|1,0,0]=3 4025 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|1,0,0]=3 4026 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,0]=3 4027 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|2,0,0]=4 4028 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 4029 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 4030 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 4031 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 4032 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,0]=3 4033 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,0]=3 4034 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|2,0,0]=4 4035 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|2,0,0]=4 4036 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 4037 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 4038 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 4039 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 4040 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 4041 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 4042 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 4043 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 4044 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,1,0,0,0,0|2,0,0]=4 4045 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|2,0,0]=4 4046 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|2,0,0]=4 4047 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|2,0,0]=4 4048 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,1,0,0,0,0|2,0,0]=4 4049 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [1,1,0,0,0,0|2,0,0]=4 4050 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [1,1,0,0,0,0|2,0,0]=4 4051 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|2,0,0]=4 4052 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|2,0,0]=4 4053 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|2,0,0]=4 4054 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 4055 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 4056 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 4057 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [1,1,0,0,0,0|2,0,0]=4 4058 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 4059 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|2,0,0]=4 4060 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|2,0,0]=4 4061 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|2,0,0]=4 4062 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|2,0,0]=4 4063 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|2,0,0]=4 4064 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 4065 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 4066 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 4067 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 4068 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [1,1,0,0,0,0|2,0,0]=4 4069 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [1,1,0,0,0,0|2,0,0]=4 4070 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,1,0,0,0,0|2,0,0]=4 4071 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,1,0,0,0,0|1,1,0]=4 4072 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,1,0,0,0,0|1,0,0]=3 4073 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,1,0,0,0,0|1,0,0]=3 4074 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,1,0,0,0,0|2,0,0]=4 4075 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 4076 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 4077 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|1,1,0]=4 4078 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|1,1,0]=4 4079 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|1,1,0]=4 4080 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,1,0,0,0,0|1,1,0]=4 4081 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,1,0,0,0,0|1,1,0]=4 4082 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,1,0,0,0,0|1,1,0]=4 4083 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,1,0,0,0,0|1,1,0]=4 4084 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,1,0,0,0,0|1,1,0]=4 4085 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|1,1,0]=4 4086 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|1,1,0]=4 4087 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|1,0,0]=3 4088 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|1,0,0]=3 4089 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|1,0,0]=3 4090 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [1,1,0,0,0,0|2,0,0]=4 4091 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,1,0,0,0,0|1,0,0]=3 4092 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,1,0,0,0,0|1,0,0]=3 4093 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,1,0,0,0,0|1,0,0]=3 4094 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,1,0,0,0,0|1,0,0]=3 4095 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,1,0,0,0,0|1,0,0]=3 4096 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,1,0,0,0,0|1,0,0]=3 4097 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|1,0,0]=3 4098 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|1,0,0]=3 4099 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [1,1,0,0,0,0|2,0,0]=4 4100 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [1,1,0,0,0,0|2,0,0]=4 4101 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|2,0,0]=4 4102 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,1,0]=4 4103 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|2,0,0]=4 4104 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,1,0]=4 4105 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|1,0,1]=4 4106 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|1,0,1]=4 4107 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|1,0,1]=4 4108 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|1,0,1]=4 4109 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,1,0,0,0,0|1,0,1]=4 4110 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 4111 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 4112 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 4113 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|1,0,1]=4 4114 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|1,0,1]=4 4115 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|2,0,0]=4 4116 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|2,0,0]=4 4117 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,0,0,0,0|1,0,1]=4 4118 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,0,0,0,0|1,0,1]=4 4119 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|2,0,0]=4 4120 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,0]=3 4121 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,0]=3 4122 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|1,0,0]=3 4123 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|1,0,1]=4 4124 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|2,0,0]=4 4125 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|2,0,0]=4 4126 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|2,0,0]=4 4127 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|2,0,0]=4 4128 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|2,0,0]=4 4129 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 4130 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 4131 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 4132 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 4133 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 4134 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 4135 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 4136 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 4137 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 4138 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,0]=3 4139 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 4140 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 4141 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 4142 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,0]=3 4143 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,1,0,0,0,0|2,0,0]=4 4144 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 4145 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 4146 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 4147 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 4148 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 4149 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 4150 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 4151 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 4152 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,1,0,0,0,0|1,0,1]=4 4153 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,1,0,0,0,0|1,0,1]=4 4154 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,1,0,0,0,0|1,0,1]=4 4155 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,1,0,0,0,0|2,0,0]=4 4156 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 4157 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 4158 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,1,0,0,0,0|2,0,0]=4 4159 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 4160 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 4161 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,1,0,0,0,0|2,0,0]=4 4162 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,1,0,0,0,0|2,0,0]=4 4163 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 4164 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,1,0,0,0,0|2,0,0]=4 4165 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 4166 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 4167 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 4168 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,1,0,0,0,0|2,0,0]=4 4169 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,1,0,0,0,0|2,0,0]=4 4170 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 4171 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 4172 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 4173 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 4174 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 4175 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 4176 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 4177 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 4178 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 4179 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 4180 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 4181 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|0,0,1]=3 4182 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|0,0,1]=3 4183 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|1,0,0]=3 4184 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|1,0,0]=3 4185 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|1,0,0]=3 4186 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|1,0,0]=3 4187 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,1,0,0,0,0|1,0,1]=4 4188 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|1,0,0]=3 4189 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|1,0,0]=3 4190 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|1,0,0]=3 4191 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|1,0,0]=3 4192 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|1,0,0]=3 4193 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,1,0,0,0,0|1,0,1]=4 4194 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,1,0,0,0,0|1,0,1]=4 4195 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,0,0,0,0|1,0,1]=4 4196 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,0,0,0,0|1,0,1]=4 4197 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,0,0,0,0|1,0,1]=4 4198 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [1,1,0,0,0,0|1,0,1]=4 4199 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [1,1,0,0,0,0|1,0,1]=4 4200 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [1,1,0,0,0,0|1,0,1]=4 4201 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [1,1,0,0,0,0|1,0,1]=4 4202 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,0,0,0,0|1,0,1]=4 4203 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,0,0,0,0|1,0,1]=4 4204 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,0,0,0,0|1,0,1]=4 4205 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,0,0,0,0|1,0,1]=4 4206 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 4207 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|1,0,1]=4 4208 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 4209 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 4210 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 4211 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [1,1,0,0,0,0|0,0,2]=4 4212 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [1,1,0,0,0,0|0,0,2]=4 4213 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [1,1,0,0,0,0|0,0,2]=4 4214 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [1,1,0,0,0,0|0,0,2]=4 4215 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|1,0,1]=4 4216 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|1,0,1]=4 4217 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|1,0,1]=4 4218 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|1,0,1]=4 4219 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|1,0,1]=4 4220 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|1,0,1]=4 4221 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|1,0,1]=4 4222 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 4223 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,0,1]=3 4224 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,0,1]=3 4225 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,0]=3 4226 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,0]=3 4227 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,0]=3 4228 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,0]=3 4229 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|2,0,0]=4 4230 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|2,0,0]=4 4231 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,0]=3 4232 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,1,0]=4 4233 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 4234 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 4235 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 4236 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 4237 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|2,0,0]=4 4238 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|2,0,0]=4 4239 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 4240 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 4241 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 4242 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 4243 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 4244 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 4245 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 4246 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 4247 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 4248 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 4249 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|2,0,0]=4 4250 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|2,0,0]=4 4251 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 4252 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 4253 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 4254 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 4255 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 4256 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 4257 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 4258 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|1,0,0]=3 4259 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|1,0,0]=3 4260 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|1,0,0]=3 4261 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|2,0,0]=4 4262 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|1,0,1]=4 4263 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 4264 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,0]=3 4265 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 4266 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,1,0,0,0,0|1,0,1]=4 4267 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|0,1,1]=4 4268 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|0,1,0]=3 4269 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|0,0,0]=2 4270 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|0,0,0]=2 4271 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|0,0,0]=2 4272 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|0,0,0]=2 4273 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [1,1,0,0,0,0|1,0,1]=4 4274 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [1,1,0,0,0,0|1,0,1]=4 4275 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 4276 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 4277 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [1,1,0,0,0,0|2,0,0]=4 4278 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [1,1,0,0,0,0|2,0,0]=4 4279 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [1,1,0,0,0,0|2,0,0]=4 4280 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [1,1,0,0,0,0|2,0,0]=4 4281 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [1,1,0,0,0,0|2,0,0]=4 4282 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [1,1,0,0,0,0|1,0,1]=4 4283 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [1,1,0,0,0,0|2,0,0]=4 4284 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [1,1,0,0,0,0|2,0,0]=4 4285 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 4286 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 4287 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [1,1,0,0,0,0|1,0,1]=4 4288 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [1,1,0,0,0,0|2,0,0]=4 4289 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [1,1,0,0,0,0|2,0,0]=4 4290 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 4291 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 4292 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 4293 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 4294 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 4295 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 4296 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 4297 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 4298 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|2,0,0]=4 4299 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 4300 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 4301 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 4302 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 4303 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 4304 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|1,1,0]=4 4305 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|1,1,0]=4 4306 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|1,1,0]=4 4307 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|1,1,0]=4 4308 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|1,1,0]=4 4309 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [1,1,0,0,0,0|1,0,1]=4 4310 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [1,1,0,0,0,0|0,0,2]=4 4311 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [1,1,0,0,0,0|1,0,1]=4 4312 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [1,1,0,0,0,0|2,0,0]=4 4313 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [1,1,0,0,0,0|2,0,0]=4 4314 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [1,1,0,0,0,0|2,0,0]=4 4315 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|1,0,0]=3 4316 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 4317 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|0,0,2]=4 4318 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|0,0,2]=4 4319 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 4320 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 4321 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 4322 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [1,1,0,0,0,0|2,0,0]=4 4323 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 4324 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [1,1,0,0,0,0|1,1,0]=4 4325 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [1,1,0,0,0,0|1,1,0]=4 4326 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [1,1,0,0,0,0|1,1,0]=4 4327 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 4328 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 4329 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [1,1,0,0,0,0|1,1,0]=4 4330 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [1,1,0,0,0,0|1,1,0]=4 4331 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [1,1,0,0,0,0|1,0,0]=3 4332 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [1,1,0,0,0,0|1,0,0]=3 4333 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_100000754112_200025704644 [1,1,0,0,0,0|2,0,0]=4 4334 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_200025704644_100000754112 [1,1,0,0,0,0|2,0,0]=4 4335 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200000036756_200025704644 [1,1,0,0,0,0|2,0,0]=4 4336 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200025704644_200000036756 [1,1,0,0,0,0|2,0,0]=4 4337 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|0,0,2]=4 4338 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|0,0,2]=4 4339 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [1,1,0,0,0,0|1,0,0]=3 4340 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [1,1,0,0,0,0|1,0,0]=3 4341 B8R0.21 CSCCCS(=O)(=O)N 62a_100000750626_200000210301 [1,1,0,0,0,0|1,0,1]=4 4342 B8R0.21 CSCCCS(=O)(=O)N 62a_200000210301_100000750626 [1,1,0,0,0,0|1,0,1]=4 4343 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_100009813499_200000210301 [1,1,0,0,0,0|1,0,1]=4 4344 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_200000210301_100009813499 [1,1,0,0,0,0|1,0,1]=4 4345 B8R0.21 CSCCC[N+](C)(C)C 62a_100016990835_200000210301 [1,1,0,0,0,0|2,0,0]=4 4346 B8R0.21 CSCCC[N+](C)(C)C 62a_200000210301_100016990835 [1,1,0,0,0,0|2,0,0]=4 4347 B8R0.21 CSCCC[Si](C)(C)C 62a_100011219597_200000210301 [1,1,0,0,0,0|1,1,0]=4 4348 B8R0.21 CSCCC[Si](C)(C)C 62a_200000210301_100011219597 [1,1,0,0,0,0|1,1,0]=4 4349 B8R0.21 CSCCNS(=O)(=O)C 40a_100020590264_100000738038 [1,1,0,0,0,0|2,0,0]=4 4350 B8R0.21 CSCCNS(=O)(=O)C 62a_100000754112_200000210301 [1,1,0,0,0,0|2,0,0]=4 4351 B8R0.21 CSCCNS(=O)(=O)C 62a_200000210301_100000754112 [1,1,0,0,0,0|2,0,0]=4 4352 B8R0.21 CSCCOS(=O)(=O)C 62a_200000036756_200000210301 [1,1,0,0,0,0|2,0,0]=4 4353 B8R0.21 CSCCOS(=O)(=O)C 62a_200000210301_200000036756 [1,1,0,0,0,0|2,0,0]=4 4354 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_100016990835_200025704644 [1,1,0,0,0,0|2,0,0]=4 4355 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_200025704644_100016990835 [1,1,0,0,0,0|2,0,0]=4 4356 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_100011219597_200025704644 [1,1,0,0,0,0|1,1,0]=4 4357 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_200025704644_100011219597 [1,1,0,0,0,0|1,1,0]=4 4358 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_100000750626_200025704644 [1,1,0,0,0,0|1,0,1]=4 4359 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_200025704644_100000750626 [1,1,0,0,0,0|1,0,1]=4 4360 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_100009813499_200025704644 [1,1,0,0,0,0|1,0,1]=4 4361 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_200025704644_100009813499 [1,1,0,0,0,0|1,0,1]=4 4362 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|2,0,0]=4 4363 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,1,0,0,0,0|2,0,0]=4 4364 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|1,0,1]=4 4365 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,0]=3 4366 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|2,0,0]=4 4367 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,0]=3 4368 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,0]=3 4369 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,0]=3 4370 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,0]=3 4371 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,0]=3 4372 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,1,0,0,0,0|2,0,0]=4 4373 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|2,0,0]=4 4374 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|2,0,0]=4 4375 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|2,0,0]=4 4376 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|2,0,0]=4 4377 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 4378 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 4379 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|2,0,0]=4 4380 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|2,0,0]=4 4381 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|2,0,0]=4 4382 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|2,0,0]=4 4383 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|2,0,0]=4 4384 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|2,0,0]=4 4385 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 4386 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 4387 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|2,0,0]=4 4388 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 4389 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 4390 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 4391 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|2,0,0]=4 4392 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|2,0,0]=4 4393 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|2,0,0]=4 4394 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 4395 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,1,0,0,0,0|2,0,0]=4 4396 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 4397 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,1,0,0,0,0|2,0,0]=4 4398 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,1,0,0,0,0|2,0,0]=4 4399 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|2,0,0]=4 4400 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,0]=3 4401 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|2,0,0]=4 4402 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|2,0,0]=4 4403 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|2,0,0]=4 4404 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 4405 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,0]=3 4406 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,0]=3 4407 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|2,0,0]=4 4408 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,1,0,0,0,0|2,0,0]=4 4409 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,2,0,0,0,0|2,0,0]=4 4410 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,2,0,0,0,0|2,0,0]=4 4411 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,2,0,0,0,0|2,0,0]=4 4412 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,2,0,0,0,0|2,0,0]=4 4413 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,2,0,0,0,0|2,0,0]=4 4414 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|2,0,0]=4 4415 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,2,0,0,0,0|2,0,0]=4 4416 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|2,0,0]=4 4417 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|2,0,0]=4 4418 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|2,0,0]=4 4419 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|2,0,0]=4 4420 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|2,0,0]=4 4421 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,2,0,0,0,0|2,0,0]=4 4422 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|2,0,0]=4 4423 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|2,0,0]=4 4424 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,2,0,0,0,0|2,0,0]=4 4425 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|2,0,0]=4 4426 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|2,0,0]=4 4427 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|2,0,0]=4 4428 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|2,0,0]=4 4429 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|2,0,0]=4 4430 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|2,0,0]=4 4431 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|2,0,0]=4 4432 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4433 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4434 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4435 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|2,0,0]=4 4436 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 4437 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 4438 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|1,0,0]=3 4439 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|1,0,0]=3 4440 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|1,0,0]=3 4441 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 4442 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 4443 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,2,0,0,0,0|2,0,0]=4 4444 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|2,0,0]=4 4445 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|2,0,0]=4 4446 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|2,0,0]=4 4447 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|2,0,0]=4 4448 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|2,0,0]=4 4449 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|2,0,0]=4 4450 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|2,0,0]=4 4451 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 4452 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 4453 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,2,0,0,0,0|2,0,0]=4 4454 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|2,0,0]=4 4455 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|2,0,0]=4 4456 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|2,0,0]=4 4457 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|2,0,0]=4 4458 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|2,0,0]=4 4459 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|2,0,0]=4 4460 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|2,0,0]=4 4461 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|2,0,0]=4 4462 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|2,0,0]=4 4463 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|2,0,0]=4 4464 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|2,0,0]=4 4465 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,2,0,0,0,0|2,0,0]=4 4466 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,2,0,0,0,0|2,0,0]=4 4467 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,2,0,0,0,0|2,0,0]=4 4468 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,2,0,0,0,0|2,0,0]=4 4469 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|2,0,0]=4 4470 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,2,0,0,0,0|2,0,0]=4 4471 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,2,0,0,0,0|1,0,1]=4 4472 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|1,0,0]=3 4473 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,2,0,0,0,0|2,0,0]=4 4474 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|1,0,0]=3 4475 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|1,0,0]=3 4476 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,2,0,0,0,0|1,0,0]=3 4477 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,2,0,0,0,0|2,0,0]=4 4478 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,2,0,0,0,0|2,0,0]=4 4479 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,2,0,0,0,0|2,0,0]=4 4480 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,2,0,0,0,0|2,0,0]=4 4481 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,2,0,0,0,0|2,0,0]=4 4482 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,2,0,0,0,0|2,0,0]=4 4483 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,2,0,0,0,0|2,0,0]=4 4484 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 4487 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|1,1,0]=4 4490 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|1,1,0]=4 4491 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|1,1,0]=4 4492 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,2,0,0,0,0|1,1,0]=4 4493 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [0,2,0,0,0,0|1,0,1]=4 4494 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000198492_100000748629 [0,2,0,0,0,0|2,0,0]=4 4495 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000225649_100000747449 [0,2,0,0,0,0|2,0,0]=4 4496 B10R0.44 C=C(C)CN(C)CC(=O)OC 269982a_100000225649_100000747449 [0,2,0,0,0,0|2,0,0]=4 4497 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|1,0,1]=4 4498 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|1,0,1]=4 4499 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,2,0,0,0,0|1,0,1]=4 4500 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,2,0,0,0,0|1,0,1]=4 4501 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,2,0,0,0,0|1,0,1]=4 4502 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,2,0,0,0,0|0,0,2]=4 4503 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,2,0,0,0,0|1,0,0]=3 4504 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,2,0,0,0,0|1,0,0]=3 4505 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,2,0,0,0,0|2,0,0]=4 4506 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,2,0,0,0,0|2,0,0]=4 4507 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,2,0,0,0,0|2,0,0]=4 4509 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,2,0,0,0,0|2,0,0]=4 4510 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,2,0,0,0,0|2,0,0]=4 4511 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,2,0,0,0,0|2,0,0]=4 4512 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,2,0,0,0,0|2,0,0]=4 4513 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,2,0,0,0,0|2,0,0]=4 4514 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,2,0,0,0,0|2,0,0]=4 4515 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,2,0,0,0,0|2,0,0]=4 4516 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,2,0,0,0,0|2,0,0]=4 4517 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,2,0,0,0,0|2,0,0]=4 4518 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,2,0,0,0,0|2,0,0]=4 4519 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100000210245_100000211248 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100011215400_100000748629 [0,2,0,0,0,0|2,0,0]=4 4521 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000211248_100000211660 [0,2,0,0,0,0|2,0,0]=4 4522 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000748629_100000211248 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,2,0,0,0,0|1,0,0]=3 4525 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,2,0,0,0,0|1,0,0]=3 4526 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,2,0,0,0,0|1,0,0]=3 4527 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,2,0,0,0,0|2,0,0]=4 4530 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,2,0,0,0,0|2,0,0]=4 4531 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,2,0,0,0,0|2,0,0]=4 4532 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,2,0,0,0,0|2,0,0]=4 4533 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,2,0,0,0,0|2,0,0]=4 4534 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,2,0,0,0,0|2,0,0]=4 4535 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 4536 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 4537 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,2,0,0,0,0|2,0,0]=4 4538 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,2,0,0,0,0|2,0,0]=4 4539 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,2,0,0,0,0|2,0,0]=4 4540 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,2,0,0,0,0|2,0,0]=4 4543 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,2,0,0,0,0|2,0,0]=4 4544 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,2,0,0,0,0|2,0,0]=4 4545 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,2,0,0,0,0|2,0,0]=4 4546 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,2,0,0,0,0|2,0,0]=4 4547 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,2,0,0,0,0|2,0,0]=4 4548 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,2,0,0,0,0|2,0,0]=4 4549 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,2,0,0,0,0|2,0,0]=4 4550 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,2,0,0,0,0|2,0,0]=4 4551 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,2,0,0,0,0|2,0,0]=4 4552 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,2,0,0,0,0|2,0,0]=4 4553 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,2,0,0,0,0|2,0,0]=4 4554 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,0,0,0,0|2,0,0]=4 4555 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [0,2,0,0,0,0|1,0,1]=4 4556 B10R0.59 C#CC(C)NCCC(=O)OC 2230a_100000707721_100000204255 [0,2,0,0,0,0|1,0,1]=4 4557 B10R0.59 C#CC(C)NCCC(=O)OC 34a_100000707721_100000742370 [0,2,0,0,0,0|1,0,1]=4 4558 B10R0.59 C#CC(C)SCCC(=O)OC 62a_200000035995_100000204255 [0,2,0,0,0,0|1,0,1]=4 4559 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 34a_100009815206_100000742370 [0,2,0,0,0,0|1,0,1]=4 4560 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 7a_100009815206_100000204255 [0,2,0,0,0,0|1,0,1]=4 4561 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,2,0,0,0,0|1,0,1]=4 4562 B10R0.59 C=CC(C)COCC(=O)OC 34a_100011215527_100000747449 [0,2,0,0,0,0|1,0,1]=4 4563 B10R0.59 C=CC(C)COCC(=O)OC 7a_100011215527_100000747449 [0,2,0,0,0,0|1,0,1]=4 4564 B10R0.59 C=CC(C)OCCC(=O)OC 34a_100000695699_100000742370 [0,2,0,0,0,0|1,0,1]=4 4565 B10R0.59 C=CC(C)SCCC(=O)OC 62a_100011215867_100000204255 [0,2,0,0,0,0|1,0,1]=4 4566 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000730141_100000747449 [0,2,0,0,0,0|1,0,1]=4 4567 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000747449_100000730141 [0,2,0,0,0,0|1,0,1]=4 4568 B10R0.59 C=C[C@H](N)COCC(=O)OC 34a_100016989147_100000747449 [0,2,0,0,0,0|1,0,1]=4 4569 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,2,0,0,0,0|2,0,0]=4 4570 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|1,0,0]=3 4571 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|1,0,0]=3 4572 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|2,0,0]=4 4573 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [0,2,0,0,0,0|2,0,0]=4 4574 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,2,0,0,0,0|1,0,1]=4 4575 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|2,0,0]=4 4576 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|2,0,0]=4 4577 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|2,0,0]=4 4578 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|2,0,0]=4 4579 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,2,0,0,0,0|1,0,1]=4 4580 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,2,0,0,0,0|1,0,1]=4 4581 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,2,0,0,0,0|1,0,1]=4 4582 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|2,0,0]=4 4583 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|2,0,0]=4 4584 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|2,0,0]=4 4585 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|2,0,0]=4 4587 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|2,0,0]=4 4588 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,2,0,0,0,0|1,0,1]=4 4589 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 4590 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 4591 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 4592 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 4593 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|2,0,0]=4 4594 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|2,0,0]=4 4596 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|2,0,0]=4 4597 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|2,0,0]=4 4598 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|2,0,0]=4 4599 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|2,0,0]=4 4600 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|2,0,0]=4 4601 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|2,0,0]=4 4602 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|1,0,0]=3 4603 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|2,0,0]=4 4604 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|2,0,0]=4 4606 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|1,0,0]=3 4607 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|1,0,0]=3 4608 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,2,0,0,0,0|2,0,0]=4 4609 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,2,0,0,0,0|2,0,0]=4 4610 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,2,0,0,0,0|2,0,0]=4 4611 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|1,0,0]=3 4612 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,2,0,0,0,0|2,0,0]=4 4613 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,2,0,0,0,0|2,0,0]=4 4614 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|1,0,0]=3 4615 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,2,0,0,0,0|2,0,0]=4 4616 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,2,0,0,0,0|2,0,0]=4 4617 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|1,0,0]=3 4618 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|1,0,0]=3 4619 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|2,0,0]=4 4620 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,2,0,0,0,0|2,0,0]=4 4621 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,2,0,0,0,0|2,0,0]=4 4622 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|1,0,0]=3 4623 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,2,0,0,0,0|2,0,0]=4 4624 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,2,0,0,0,0|2,0,0]=4 4625 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,2,0,0,0,0|2,0,0]=4 4626 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|1,0,0]=3 4627 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|1,0,0]=3 4628 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,2,0,0,0,0|2,0,0]=4 4629 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 4631 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 4632 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|1,0,0]=3 4633 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|2,0,0]=4 4634 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|2,0,0]=4 4635 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|2,0,0]=4 4636 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|1,0,0]=3 4637 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|2,0,0]=4 4638 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|2,0,0]=4 4639 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|1,0,0]=3 4640 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|1,0,0]=3 4641 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,2,0,0,0,0|2,0,0]=4 4642 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,2,0,0,0,0|1,0,0]=3 4643 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,2,0,0,0,0|1,0,0]=3 4644 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,2,0,0,0,0|1,0,0]=3 4645 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,2,0,0,0,0|1,0,0]=3 4646 B10R0.59 CNC(=O)CCCN(C)N=O 11a_106832991635_200000076914 [0,2,0,0,0,0|2,0,0]=4 4647 B10R0.59 CNC(=O)CCCN(C)N=O 1626a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 4648 B10R0.59 CNC(=O)CCCN(C)N=O 240690a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 4649 B10R0.59 CNC(=O)CCCN(C)N=O 527a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 4650 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,2,0,0,0,0|1,1,0]=4 4651 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,2,0,0,0,0|1,1,0]=4 4652 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [0,2,0,0,0,0|1,0,1]=4 4653 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,2,0,0,0,0|1,1,0]=4 4654 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [0,2,0,0,0,0|1,0,1]=4 4655 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,2,0,0,0,0|1,1,0]=4 4656 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [0,2,0,0,0,0|1,0,1]=4 4657 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [0,2,0,0,0,0|1,0,1]=4 4658 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [0,2,0,0,0,0|1,0,1]=4 4659 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [0,2,0,0,0,0|1,0,1]=4 4660 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [0,2,0,0,0,0|1,0,1]=4 4661 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,2,0,0,0,0|1,0,0]=3 4662 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|1,0,0]=3 4663 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,2,0,0,0,0|1,0,0]=3 4664 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,2,0,0,0,0|2,0,0]=4 4665 B10R0.59 COC(=O)CCNC(C)C#N 2230a_100000737613_100000204255 [0,2,0,0,0,0|2,0,0]=4 4666 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,2,0,0,0,0|2,0,0]=4 4667 B10R0.59 COC(=O)CCOC(C)C#N 34a_100011218135_100000742370 [0,2,0,0,0,0|2,0,0]=4 4668 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,2,0,0,0,0|2,0,0]=4 4669 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,2,0,0,0,0|2,0,0]=4 4670 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,2,0,0,0,0|2,0,0]=4 4671 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000204255_100000703298 [0,2,0,0,0,0|2,0,0]=4 4672 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000703298_100000204255 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,2,0,0,0,0|2,0,0]=4 4674 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,2,0,0,0,0|0,1,0]=3 4675 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,2,0,0,0,0|0,1,0]=3 4676 B10R0.59 COC(=O)CCSC(F)C#N 62a_100000204255_200000117898 [0,2,0,0,0,0|2,0,0]=4 4677 B10R0.59 COC(=O)CCSC(F)C#N 62a_200000117898_100000204255 [0,2,0,0,0,0|2,0,0]=4 4678 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,2,0,0,0,0|2,0,0]=4 4679 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,2,0,0,0,0|2,0,0]=4 4680 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 4681 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|0,1,0]=3 4682 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 4683 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|2,0,0]=4 4684 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 4685 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|0,1,0]=3 4686 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,2,0,0,0,0|2,0,0]=4 4687 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 4688 B10R0.59 COC(=O)CSCC(=O)CF 1458a_100000191316_100015361967 [0,2,0,0,0,0|2,0,0]=4 4689 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,2,0,0,0,0|0,1,1]=4 4690 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,2,0,0,0,0|2,0,0]=4 4691 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,2,0,0,0,0|2,0,0]=4 4692 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|2,0,0]=4 4693 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|2,0,0]=4 4694 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,2,0,0,0,0|2,0,0]=4 4695 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,2,0,0,0,0|2,0,0]=4 4696 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,2,0,0,0,0|2,0,0]=4 4697 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,2,0,0,0,0|2,0,0]=4 4698 B10R0.59 COC(=O)OCSC(C)OC 62a_100009879195_100000139417 [0,2,0,0,0,0|1,1,0]=4 4699 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [0,2,0,0,0,0|1,0,1]=4 4700 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210202 [0,2,0,0,0,0|2,0,0]=4 4701 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000210414_100016990835 [0,2,0,0,0,0|2,0,0]=4 4702 B10R0.60 CCC(=O)CCC[Si](C)(C)C 1458a_100000210414_100011219597 [0,2,0,0,0,0|2,0,0]=4 4703 B10R0.60 CNC(=O)CCC[N+](C)(C)C 11a_106832991635_100000085584 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.60 CNC(=O)CCC[N+](C)(C)C 1626a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.60 CNC(=O)CCC[N+](C)(C)C 240690a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.60 CNC(=O)CCC[N+](C)(C)C 527a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.60 COC(=O)CCNC(C)(C)C 2230a_100000715429_100000204255 [0,2,0,0,0,0|2,0,0]=4 4708 B10R0.60 COC(=O)CCOC(C)(C)C 34a_100015890283_100000742370 [0,2,0,0,0,0|2,0,0]=4 4709 B10R0.60 COC(=O)CCOC(C)(C)C 7a_100015890283_100000204255 [0,2,0,0,0,0|2,0,0]=4 4710 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000204255_100000211941 [0,2,0,0,0,0|2,0,0]=4 4711 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000211941_100000204255 [0,2,0,0,0,0|2,0,0]=4 4712 B10R0.60 COC(=O)CNCC(C)(C)C 2230a_100000743828_100000747449 [0,2,0,0,0,0|2,0,0]=4 4713 B10R0.60 COC(=O)CNCC(C)(C)F 2230a_100020643315_100000747449 [0,2,0,0,0,0|2,0,0]=4 4714 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,2,0,0,0,0|2,0,0]=4 4715 B10R0.60 COC(=O)COCC(C)(C)F 34a_100000716592_100000747449 [0,2,0,0,0,0|2,0,0]=4 4716 B10R0.60 COC(=O)COCC(C)(F)F 34a_100000068830_100000747449 [0,2,0,0,0,0|2,0,0]=4 4717 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100000747449_100011219605 [0,2,0,0,0,0|2,0,0]=4 4718 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100011219605_100000747449 [0,2,0,0,0,0|2,0,0]=4 4719 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100000747449_100011997219 [0,2,0,0,0,0|2,0,0]=4 4720 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100011997219_100000747449 [0,2,0,0,0,0|2,0,0]=4 4721 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,2,0,0,0,0|2,0,0]=4 4722 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,2,0,0,0,0|2,0,0]=4 4723 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_100000747449_200000036245 [0,2,0,0,0,0|2,0,0]=4 4724 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747449 [0,2,0,0,0,0|2,0,0]=4 4725 B10R0.60 COC(=O)CSC[Si](C)(C)C 62a_100000037933_100000747449 [0,2,0,0,0,0|2,0,0]=4 4726 B10R0.60 COC(=O)CSC[Si](C)(C)C 62a_100000747449_100000037933 [0,2,0,0,0,0|2,0,0]=4 4727 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|2,0,0]=4 4728 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 4729 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 4730 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 4731 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 4732 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,2,0,0,0,0|2,0,0]=4 4733 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,2,0,0,0,0|2,0,0]=4 4734 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,2,0,0,0,0|1,0,1]=4 4735 B10R0.82 COC(=O)CCC(=O)N(C)C 11a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 4736 B10R0.82 COC(=O)CCC(=O)N(C)C 1626a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 4737 B10R0.82 COC(=O)CCC(=O)N(C)C 240690a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 4738 B10R0.82 COC(=O)CCC(=O)N(C)C 527a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 4739 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,2,0,0,0,0|2,0,0]=4 4740 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,2,0,0,0,0|2,0,0]=4 4741 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,2,0,0,0,0|2,0,0]=4 4742 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,2,0,0,0,0|2,0,0]=4 4743 B10R0.82 COC(=O)CCN(C)C(C)C 2230a_100000228967_200000210301 [0,2,0,0,0,0|2,0,0]=4 4744 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100000228967_200000210301 [0,2,0,0,0,0|2,0,0]=4 4745 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100025711912_100000210206 [0,2,0,0,0,0|2,0,0]=4 4746 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_200000211004_100000204255 [0,2,0,0,0,0|2,0,0]=4 4747 B10R0.82 COC(=O)CCN([13CH3])C(C)C 2230a_100000228967_200025704644 [0,2,0,0,0,0|2,0,0]=4 4748 B10R0.82 COC(=O)CCN([13CH3])C(C)C 269982a_100000228967_200025704644 [0,2,0,0,0,0|2,0,0]=4 4749 B10R0.82 COC(=O)CNC(C)C(C)C 2230a_100000211541_100000747449 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,2,0,0,0,0|2,0,0]=4 4751 B10R0.82 COC(=O)COC(C)C(C)C 7a_100000748068_100000747449 [0,2,0,0,0,0|2,0,0]=4 4752 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,2,0,0,0,0|2,0,0]=4 4753 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,2,0,0,0,0|2,0,0]=4 4755 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|2,0,0]=4 4756 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|2,0,0]=4 4757 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,2,0,0,0,0|2,0,0]=4 4758 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,2,0,0,0,0|2,0,0]=4 4759 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,2,0,0,0,0|2,0,0]=4 4760 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,2,0,0,0,0|2,0,0]=4 4761 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|2,0,0]=4 4762 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|2,0,0]=4 4763 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [0,2,0,0,0,0|2,0,0]=4 4764 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,2,0,0,0,0|2,0,0]=4 4765 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,2,0,0,0,0|2,0,0]=4 4766 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,2,0,0,0,0|2,0,0]=4 4767 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,2,0,0,0,0|2,0,0]=4 4768 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,2,0,0,0,0|2,0,0]=4 4769 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,2,0,0,0,0|2,0,0]=4 4770 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,2,0,0,0,0|2,0,0]=4 4771 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|2,0,0]=4 4772 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|2,0,0]=4 4773 B10R0.98 CC(F)C(=O)CCCN(C)C 1458a_100000062450_100000695564 [0,2,0,0,0,0|2,0,0]=4 4774 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|2,0,0]=4 4775 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|2,0,0]=4 4776 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,2,0,0,0,0|2,0,0]=4 4777 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,2,0,0,0,0|2,0,0]=4 4778 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|2,0,0]=4 4779 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|2,0,0]=4 4780 B10R0.98 CN(C)CCCC(=O)N(C)C 11a_100102631434_100000740757 [0,2,0,0,0,0|2,0,0]=4 4781 B10R0.98 CN(C)CCCC(=O)N(C)C 2230a_100102631434_100000737642 [0,2,0,0,0,0|2,0,0]=4 4782 B10R0.98 CN(C)CCCC(=O)N(C)C 240690a_100102631434_100000740757 [0,2,0,0,0,0|2,0,0]=4 4783 B10R0.98 CN(C)CCCC(=O)N(C)C 269982a_100102631434_100000737642 [0,2,0,0,0,0|2,0,0]=4 4784 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,2,0,0,0,0|2,0,0]=4 4785 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,2,0,0,0,0|2,0,0]=4 4786 B10R0.1 C#CCC(=O)NCCCSC 1626a_100000749238_100011220946 [0,2,0,0,0,0|1,0,1]=4 4787 B10R0.1 C#CCC(=O)NCCCSC 527a_100000749238_100011220946 [0,2,0,0,0,0|1,0,1]=4 4788 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,2,0,0,0,0|1,0,1]=4 4789 B10R0.1 C#CCCCNC(=O)COC 11a_100000718082_100000210968 [0,2,0,0,0,0|1,0,1]=4 4790 B10R0.1 C#CCCCNC(=O)COC 1626a_100000718082_100000210968 [0,2,0,0,0,0|1,0,1]=4 4791 B10R0.1 C#CCCCNC(=O)COC 240690a_100000718082_100000210968 [0,2,0,0,0,0|1,0,1]=4 4792 B10R0.1 C#CCCCNC(=O)COC 527a_100000718082_100000210968 [0,2,0,0,0,0|1,0,1]=4 4793 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,2,0,0,0,0|1,0,1]=4 4794 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,2,0,0,0,0|1,0,1]=4 4795 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,2,0,0,0,0|1,0,1]=4 4796 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,2,0,0,0,0|1,0,1]=4 4797 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,2,0,0,0,0|1,0,1]=4 4798 B10R0.1 C#CCOCCC(=O)COC 1458a_100000210968_100010402529 [0,2,0,0,0,0|1,0,1]=4 4799 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,2,0,0,0,0|1,0,1]=4 4800 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,2,0,0,0,0|1,0,1]=4 4801 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,2,0,0,0,0|1,0,1]=4 4802 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,2,0,0,0,0|1,0,1]=4 4803 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,2,0,0,0,0|1,0,1]=4 4804 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [0,2,0,0,0,0|1,0,1]=4 4805 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [0,2,0,0,0,0|1,0,1]=4 4806 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [0,2,0,0,0,0|1,0,1]=4 4807 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [0,2,0,0,0,0|1,0,1]=4 4808 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|1,0,1]=4 4809 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,2,0,0,0,0|1,0,1]=4 4810 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,2,0,0,0,0|1,0,1]=4 4811 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,2,0,0,0,0|1,0,1]=4 4812 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,2,0,0,0,0|1,0,1]=4 4813 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,2,0,0,0,0|1,0,1]=4 4814 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,2,0,0,0,0|1,0,1]=4 4815 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,2,0,0,0,0|1,0,1]=4 4816 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,2,0,0,0,0|1,0,1]=4 4817 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,2,0,0,0,0|1,0,1]=4 4818 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,2,0,0,0,0|1,0,1]=4 4819 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,2,0,0,0,0|1,0,1]=4 4820 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,2,0,0,0,0|1,0,1]=4 4821 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|1,0,1]=4 4822 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [0,2,0,0,0,0|0,1,1]=4 4823 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,2,0,0,0,0|0,0,1]=3 4824 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|1,0,1]=4 4825 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,2,0,0,0,0|0,1,1]=4 4826 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,2,0,0,0,0|0,0,1]=3 4827 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|1,0,1]=4 4828 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|1,0,1]=4 4829 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [0,2,0,0,0,0|0,1,1]=4 4830 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [0,2,0,0,0,0|0,1,1]=4 4831 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,2,0,0,0,0|0,0,1]=3 4832 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,2,0,0,0,0|0,0,1]=3 4833 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,2,0,0,0,0|2,0,0]=4 4835 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|2,0,0]=4 4836 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,2,0,0,0,0|1,1,0]=4 4837 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,2,0,0,0,0|1,1,0]=4 4838 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,2,0,0,0,0|2,0,0]=4 4839 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|2,0,0]=4 4840 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,2,0,0,0,0|1,0,1]=4 4841 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,2,0,0,0,0|1,0,1]=4 4842 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,2,0,0,0,0|1,0,1]=4 4843 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,2,0,0,0,0|1,0,1]=4 4844 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,2,0,0,0,0|1,0,1]=4 4845 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|1,0,1]=4 4846 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|2,0,0]=4 4848 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|2,0,0]=4 4849 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|1,1,0]=4 4850 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|1,1,0]=4 4851 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|2,0,0]=4 4852 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,2,0,0,0,0|1,1,0]=4 4857 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,2,0,0,0,0|1,1,0]=4 4858 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 4859 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 4860 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,2,0,0,0,0|1,0,0]=3 4861 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 4862 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 4863 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 4864 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,2,0,0,0,0|1,0,1]=4 4865 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,2,0,0,0,0|1,0,1]=4 4866 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|2,0,0]=4 4867 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|2,0,0]=4 4868 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|2,0,0]=4 4869 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|1,1,0]=4 4870 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|1,1,0]=4 4871 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|1,1,0]=4 4872 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,2,0,0,0,0|1,0,0]=3 4873 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|1,1,0]=4 4874 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|1,0,0]=3 4875 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|1,1,0]=4 4876 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|1,1,0]=4 4877 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,2,0,0,0,0|1,0,0]=3 4878 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,2,0,0,0,0|1,0,0]=3 4879 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 4880 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 4881 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 4882 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 4883 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 4884 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 4885 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 4886 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 4887 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 4888 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 4889 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 4890 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,2,0,0,0,0|2,0,0]=4 4891 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|2,0,0]=4 4892 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|2,0,0]=4 4893 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|2,0,0]=4 4894 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|2,0,0]=4 4895 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|2,0,0]=4 4896 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|1,0,0]=3 4897 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|1,1,0]=4 4898 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 4899 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 4900 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 4901 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|2,0,0]=4 4902 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 4903 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 4904 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 4906 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|2,0,0]=4 4907 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|2,0,0]=4 4909 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 4910 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 4911 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 4912 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 4913 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|1,0,0]=3 4914 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 4915 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 4916 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 4917 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 4918 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 4919 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|1,1,0]=4 4920 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|1,1,0]=4 4921 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|1,1,0]=4 4922 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|1,1,0]=4 4923 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 4924 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 4925 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 4926 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 4927 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 4928 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 4929 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|2,0,0]=4 4930 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|2,0,0]=4 4931 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|2,0,0]=4 4932 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|2,0,0]=4 4933 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|2,0,0]=4 4934 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|2,0,0]=4 4935 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|2,0,0]=4 4936 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|2,0,0]=4 4937 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|2,0,0]=4 4938 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|2,0,0]=4 4939 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|1,0,0]=3 4940 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|1,0,0]=3 4941 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|2,0,0]=4 4943 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|2,0,0]=4 4944 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|2,0,0]=4 4945 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,0]=3 4949 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|1,1,0]=4 4950 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 4951 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|2,0,0]=4 4953 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|2,0,0]=4 4956 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|2,0,0]=4 4957 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|2,0,0]=4 4958 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 4959 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 4960 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|2,0,0]=4 4962 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|2,0,0]=4 4963 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|2,0,0]=4 4964 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|2,0,0]=4 4965 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 4966 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 4967 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 4968 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|2,0,0]=4 4972 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,2,0,0,0,0|2,0,0]=4 4973 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|1,0,0]=3 4974 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|1,0,0]=3 4975 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|2,0,0]=4 4976 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|2,0,0]=4 4977 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|1,0,0]=3 4979 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|1,1,0]=4 4980 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|1,0,0]=3 4981 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|2,0,0]=4 4982 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|2,0,0]=4 4983 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|1,0,0]=3 4984 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|1,0,0]=3 4985 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,2,0,0,0,0|1,0,0]=3 4988 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,2,0,0,0,0|1,1,0]=4 4989 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,2,0,0,0,0|1,1,0]=4 4990 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,2,0,0,0,0|1,0,0]=3 4991 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,2,0,0,0,0|1,0,0]=3 4992 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,2,0,0,0,0|1,1,0]=4 4993 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,2,0,0,0,0|1,1,0]=4 4994 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,2,0,0,0,0|1,0,0]=3 4995 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,2,0,0,0,0|1,0,0]=3 4996 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,2,0,0,0,0|1,1,0]=4 4997 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,2,0,0,0,0|1,1,0]=4 4998 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,2,0,0,0,0|1,1,0]=4 4999 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,2,0,0,0,0|1,1,0]=4 5000 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,2,0,0,0,0|1,0,0]=3 5001 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,2,0,0,0,0|1,0,0]=3 5002 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,2,0,0,0,0|1,1,0]=4 5003 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,2,0,0,0,0|1,1,0]=4 5004 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,2,0,0,0,0|1,0,0]=3 5005 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,2,0,0,0,0|1,0,0]=3 5006 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 5007 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,2,0,0,0,0|1,1,0]=4 5008 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 5009 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,2,0,0,0,0|1,1,0]=4 5010 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 5011 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 5012 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 5013 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 5014 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 5015 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 5016 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 5017 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 5018 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 5019 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 5020 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 5021 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 5022 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 5023 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|1,0,0]=3 5024 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,2,0,0,0,0|0,0,2]=4 5025 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,2,0,0,0,0|0,0,2]=4 5026 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [0,2,0,0,0,0|0,0,2]=4 5027 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [0,2,0,0,0,0|0,0,2]=4 5028 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|1,0,0]=3 5029 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|1,0,0]=3 5030 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|1,0,0]=3 5031 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|0,1,0]=3 5032 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,0]=2 5033 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,0]=2 5034 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,0]=2 5035 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,0]=2 5036 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|0,1,0]=3 5037 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,0]=2 5038 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,0]=2 5039 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|0,0,0]=2 5040 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|0,0,0]=2 5041 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|2,0,0]=4 5044 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 5045 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|2,0,0]=4 5046 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,2,0,0,0,0|2,0,0]=4 5047 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,2,0,0,0,0|2,0,0]=4 5048 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,2,0,0,0,0|2,0,0]=4 5049 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,2,0,0,0,0|2,0,0]=4 5050 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|2,0,0]=4 5051 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|2,0,0]=4 5052 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 5053 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|2,0,0]=4 5054 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|0,1,0]=3 5055 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|0,1,0]=3 5056 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|0,0,0]=2 5057 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|0,0,0]=2 5058 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 5059 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|0,1,0]=3 5061 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|0,0,0]=2 5062 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 5067 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|1,0,0]=3 5068 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 5069 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|0,1,0]=3 5070 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|0,1,0]=3 5071 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,2,0,0,0,0|1,1,0]=4 5072 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|0,0,0]=2 5073 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|0,0,0]=2 5074 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|0,0,0]=2 5075 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|0,0,0]=2 5076 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|0,0,0]=2 5077 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|0,0,0]=2 5078 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,2,0,0,0,0|2,0,0]=4 5079 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,2,0,0,0,0|2,0,0]=4 5080 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|2,0,0]=4 5083 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|2,0,0]=4 5084 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|0,1,0]=3 5085 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|0,1,0]=3 5086 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|0,1,0]=3 5087 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|0,1,0]=3 5088 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|0,0,0]=2 5089 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|0,0,0]=2 5090 B10R0.1 CCOC(=O)CSCSC#N 62a_100000188475_100000211825 [0,2,0,0,0,0|1,0,1]=4 5091 B10R0.1 CCOC(=O)CSCSC#N 62a_100000211825_100000188475 [0,2,0,0,0,0|1,0,1]=4 5092 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,2,0,0,0,0|1,1,0]=4 5093 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|1,0,0]=3 5094 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,2,0,0,0,0|1,0,0]=3 5095 B10R0.1 CCOC(=O)NN=CCSC 62a_200000210301_100015372823 [0,2,0,0,0,0|1,0,1]=4 5096 B10R0.1 CCOC(=O)NN=CCS[13CH3] 62a_200025704644_100015372823 [0,2,0,0,0,0|1,0,1]=4 5097 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,2,0,0,0,0|1,1,0]=4 5098 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,2,0,0,0,0|1,0,0]=3 5099 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|1,1,0]=4 5100 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|0,1,0]=3 5101 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|0,2,0]=4 5102 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|0,1,0]=3 5103 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|0,1,0]=3 5104 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|1,1,0]=4 5105 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|1,1,0]=4 5106 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|1,1,0]=4 5107 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|1,1,0]=4 5108 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|1,1,0]=4 5109 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|1,1,0]=4 5110 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|1,1,0]=4 5111 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|1,1,0]=4 5112 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 5114 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 5115 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 5116 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 5117 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,2,0,0,0,0|1,1,0]=4 5118 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,2,0,0,0,0|1,1,0]=4 5119 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,2,0,0,0,0|1,1,0]=4 5120 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,2,0,0,0,0|1,1,0]=4 5121 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 5122 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,2,0,0,0,0|2,0,0]=4 5124 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,2,0,0,0,0|1,1,0]=4 5125 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,2,0,0,0,0|1,1,0]=4 5126 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,2,0,0,0,0|1,1,0]=4 5127 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|2,0,0]=4 5128 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,2,0,0,0,0|1,1,0]=4 5129 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,2,0,0,0,0|1,1,0]=4 5130 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,2,0,0,0,0|1,1,0]=4 5131 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,2,0,0,0,0|1,0,0]=3 5132 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,2,0,0,0,0|1,0,0]=3 5133 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,2,0,0,0,0|1,0,0]=3 5134 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,2,0,0,0,0|1,0,1]=4 5135 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|1,0,0]=3 5136 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|1,0,0]=3 5137 B10R0.1 COCC(=O)CCOCC#N 1458a_100000210968_200000047693 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 5141 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|0,0,0]=2 5142 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|0,0,0]=2 5143 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|0,0,0]=2 5144 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|0,0,0]=2 5145 B10R0.1 COCC(C)NCCCSC 2230a_100000749238_100000765312 [0,2,0,0,0,0|1,0,1]=4 5146 B10R0.1 COCC(C)NCCCSC 270004a_100000749238_100000749346 [0,2,0,0,0,0|1,0,1]=4 5147 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,2,0,0,0,0|1,0,1]=4 5148 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,2,0,0,0,0|1,0,1]=4 5149 B10R0.1 COCC(N)COCCSC 34a_100000724102_100000212216 [0,2,0,0,0,0|1,0,1]=4 5150 B10R0.1 COCC(O)CNCCSC 2230a_100000756049_100000751147 [0,2,0,0,0,0|0,0,2]=4 5151 B10R0.1 COCC(O)CNCCSC 34a_100000756049_100000212216 [0,2,0,0,0,0|0,0,2]=4 5152 B10R0.1 COCC(O)COCCSC 34a_100000230434_100011215053 [0,2,0,0,0,0|0,0,2]=4 5153 B10R0.1 COCC(O)COCCSC 7a_100000230434_100011215053 [0,2,0,0,0,0|0,0,2]=4 5154 B10R0.1 COCC(O)CSCCSC 62a_100000212216_100011215053 [0,2,0,0,0,0|0,0,2]=4 5155 B10R0.1 COCC(O)CSCCSC 62a_100011215053_100000751147 [0,2,0,0,0,0|0,0,2]=4 5156 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|1,1,0]=4 5157 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|0,1,0]=3 5158 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|0,2,0]=4 5159 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|1,1,0]=4 5160 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|0,1,0]=3 5161 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|0,1,0]=3 5162 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|0,1,0]=3 5163 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|0,1,0]=3 5164 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,2,0,0,0,0|0,2,0]=4 5165 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,2,0,0,0,0|0,2,0]=4 5166 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,2,0,0,0,0|0,2,0]=4 5167 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,2,0,0,0,0|0,2,0]=4 5168 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,2,0,0,0,0|0,2,0]=4 5169 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,2,0,0,0,0|1,1,0]=4 5170 B10R0.1 COCCNNC(=O)COC 22a_100000741390_100000210968 [0,2,0,0,0,0|1,1,0]=4 5171 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,2,0,0,0,0|1,1,0]=4 5172 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|1,1,0]=4 5173 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,2,0,0,0,0|1,1,0]=4 5174 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,2,0,0,0,0|1,1,0]=4 5175 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,2,0,0,0,0|1,1,0]=4 5176 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|1,1,0]=4 5177 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|1,1,0]=4 5178 B10R0.1 CSCCCNC(=O)C=CBr 1626a_100000749238_100016273825 [0,2,0,0,0,0|1,0,1]=4 5179 B10R0.1 CSCCCNC(=O)C=CBr 240690a_100000749238_100016273825 [0,2,0,0,0,0|1,0,1]=4 5180 B10R0.1 CSCCCNC(=O)C=CCl 11a_100000749238_200016279998 [0,2,0,0,0,0|1,0,1]=4 5181 B10R0.1 CSCCCNC(=O)C=CCl 1626a_100000749238_200016279998 [0,2,0,0,0,0|1,0,1]=4 5182 B10R0.1 CSCCCNC(=O)C=CCl 240690a_100000749238_200016279998 [0,2,0,0,0,0|1,0,1]=4 5183 B10R0.1 CSCCCNC(=O)C=CI 1626a_100000749238_100016256311 [0,2,0,0,0,0|1,0,1]=4 5184 B10R0.1 CSCCCNC(=O)CC#N 1626a_100000749238_100051588842 [0,2,0,0,0,0|1,0,1]=4 5185 B10R0.1 CSCCCNC(=O)CC#N 240690a_100000749238_100051588842 [0,2,0,0,0,0|1,0,1]=4 5186 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|1,0,0]=3 5187 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,2,0,0,0,0|0,1,0]=3 5188 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,2,0,0,0,0|0,1,0]=3 5189 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,2,0,0,0,0|0,1,0]=3 5190 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,2,0,0,0,0|0,1,0]=3 5191 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,2,0,0,0,0|1,0,0]=3 5192 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|1,0,0]=3 5193 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|1,0,0]=3 5194 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,2,0,0,0,0|1,0,0]=3 5195 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,2,0,0,0,0|1,0,0]=3 5196 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|2,0,0]=4 5197 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|2,0,0]=4 5198 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|2,0,0]=4 5199 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|2,0,0]=4 5200 B10R0.2 C=COC(=O)CC(=O)CSC 1458a_100000184570_100000036128 [0,2,0,0,0,0|0,0,2]=4 5201 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,2,0,0,0,0|2,0,0]=4 5202 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,2,0,0,0,0|2,0,0]=4 5203 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|1,0,1]=4 5204 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|1,0,1]=4 5205 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|1,0,1]=4 5206 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|1,0,1]=4 5207 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|2,0,0]=4 5208 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|2,0,0]=4 5209 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|2,0,0]=4 5210 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|2,0,0]=4 5211 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|2,0,0]=4 5212 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|1,0,0]=3 5213 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,2,0,0,0,0|1,1,0]=4 5214 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,2,0,0,0,0|2,0,0]=4 5219 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,2,0,0,0,0|2,0,0]=4 5221 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,2,0,0,0,0|2,0,0]=4 5222 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|2,0,0]=4 5223 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|2,0,0]=4 5224 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|2,0,0]=4 5225 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|2,0,0]=4 5228 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|2,0,0]=4 5229 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,2,0,0,0,0|1,0,1]=4 5230 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,2,0,0,0,0|2,0,0]=4 5231 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,2,0,0,0,0|2,0,0]=4 5232 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|2,0,0]=4 5233 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,2,0,0,0,0|0,0,2]=4 5234 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,2,0,0,0,0|0,0,2]=4 5235 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,2,0,0,0,0|0,0,2]=4 5236 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,2,0,0,0,0|0,0,2]=4 5237 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|0,1,1]=4 5238 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|0,0,1]=3 5239 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|0,0,1]=3 5240 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|0,0,1]=3 5241 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|0,0,1]=3 5242 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|0,0,1]=3 5243 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|2,0,0]=4 5244 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|2,0,0]=4 5245 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,2,0,0,0,0|1,1,0]=4 5246 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|1,0,0]=3 5247 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|1,0,0]=3 5249 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|1,0,0]=3 5250 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|0,1,0]=3 5251 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|0,0,0]=2 5252 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|0,0,0]=2 5253 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|0,0,0]=2 5254 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|0,0,0]=2 5255 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,2,0,0,0,0|1,0,1]=4 5256 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,2,0,0,0,0|1,0,1]=4 5257 B10R0.2 COCC(=O)N[C@H](C)COC 11a_100000764878_100000210968 [0,2,0,0,0,0|1,1,0]=4 5258 B10R0.2 COCC(=O)N[C@H](C)COC 1626a_100000764878_100000210968 [0,2,0,0,0,0|1,1,0]=4 5259 B10R0.2 COCC(=O)N[C@H](C)COC 240690a_100000764878_100000210968 [0,2,0,0,0,0|1,1,0]=4 5260 B10R0.2 COCC(=O)N[C@H](C)COC 527a_100000764878_100000210968 [0,2,0,0,0,0|1,1,0]=4 5261 B10R0.2 CSCC(=O)CC(=O)NCO 1458a_100000184570_100000185155 [0,2,0,0,0,0|1,0,1]=4 5262 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|2,0,0]=4 5263 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|1,1,0]=4 5264 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|1,0,0]=3 5265 B10R0.6 C=C(F)CC(=O)CCCSC 1458a_100000173376_100009893438 [0,2,0,0,0,0|1,0,1]=4 5266 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|2,0,0]=4 5267 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|2,0,0]=4 5268 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|2,0,0]=4 5269 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|2,0,0]=4 5270 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|2,0,0]=4 5271 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|2,0,0]=4 5272 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|2,0,0]=4 5273 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|2,0,0]=4 5274 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|2,0,0]=4 5275 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|2,0,0]=4 5276 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|2,0,0]=4 5277 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 5278 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 5279 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|2,0,0]=4 5280 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|1,1,0]=4 5281 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 5282 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 5283 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 5284 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 5285 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|2,0,0]=4 5286 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|2,0,0]=4 5287 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|2,0,0]=4 5288 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,2,0,0,0,0|2,0,0]=4 5289 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|2,0,0]=4 5290 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|2,0,0]=4 5291 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,2,0,0,0,0|1,1,0]=4 5292 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,2,0,0,0,0|1,1,0]=4 5293 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,2,0,0,0,0|1,1,0]=4 5294 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|1,1,0]=4 5295 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|1,1,0]=4 5296 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|1,1,0]=4 5297 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [0,2,0,0,0,0|1,1,0]=4 5298 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,2,0,0,0,0|1,1,0]=4 5299 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|1,1,0]=4 5300 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,2,0,0,0,0|0,2,0]=4 5301 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,2,0,0,0,0|1,1,0]=4 5302 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,2,0,0,0,0|1,1,0]=4 5303 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,2,0,0,0,0|1,1,0]=4 5304 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,2,0,0,0,0|1,1,0]=4 5305 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,2,0,0,0,0|1,1,0]=4 5306 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,2,0,0,0,0|1,1,0]=4 5307 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|1,0,1]=4 5308 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|1,0,1]=4 5309 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|1,0,0]=3 5310 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|1,0,0]=3 5311 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [0,2,0,0,0,0|1,0,0]=3 5312 B10R0.6 CSCCCC(=O)C[N+](=O)[O-] 1458a_100000173376_100000761209 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 5314 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 5315 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 5316 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 5317 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 5318 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 5319 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,2,0,0,0,0|2,0,0]=4 5320 B10R0.6 CSCCNC(=O)C=C(C)Cl 11a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 5321 B10R0.6 CSCCNC(=O)C=C(C)Cl 1626a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 5322 B10R0.6 CSCCNC(=O)C=C(C)Cl 240690a_100020590264_200042562850 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.6 CSCCNC(=O)C=C(C)I 11a_100020590264_100025716642 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.6 CSCCNC(=O)C=C(C)I 1626a_100020590264_100025716642 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 5327 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.6 CSCCNC(=O)CN(C)C 11a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.6 CSCCNC(=O)CN(C)C 240690a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.6 CSCCNC(=O)CN(C)C 527a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5332 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,2,0,0,0,0|2,0,0]=4 5333 B10R0.6 CSCCNC(=O)C[S+](C)C 11a_100020590264_200159257847 [0,2,0,0,0,0|1,1,0]=4 5334 B10R0.6 CSCCNC(=O)C[S+](C)C 1626a_100020590264_200159257847 [0,2,0,0,0,0|1,1,0]=4 5335 B10R0.6 CSCCNC(=O)C[S+](C)C 240690a_100020590264_200159257847 [0,2,0,0,0,0|1,1,0]=4 5336 B10R0.6 CSCCNC(=O)C[S+](C)C 527a_100020590264_200159257847 [0,2,0,0,0,0|1,1,0]=4 5337 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,2,0,0,0,0|2,0,0]=4 5338 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5339 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5340 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,2,0,0,0,0|2,0,0]=4 5341 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5342 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|2,0,0]=4 5343 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|2,0,0]=4 5344 B10R0.6 CSCNCC(=O)NC(C)C 2230a_100000168517_100011218213 [0,2,0,0,0,0|2,0,0]=4 5345 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [0,2,0,0,0,0|2,0,0]=4 5346 B10R0.6 CSCSCC(=O)NC(C)C 62a_100000183996_100011218213 [0,2,0,0,0,0|2,0,0]=4 5347 B10R0.6 CSCSCC(=O)NC(C)C 62a_100011218213_100000183996 [0,2,0,0,0,0|2,0,0]=4 5348 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,2,0,0,0,0|1,0,0]=3 5349 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,2,0,0,0,0|1,0,0]=3 5350 B10R0.19 C#CCC(=O)C(O)CCSC 1458a_100000685904_100000184674 [0,2,0,0,0,0|1,0,1]=4 5351 B10R0.19 C=CCC(=O)C(O)CCSC 1458a_100000685904_100000210623 [0,2,0,0,0,0|1,0,1]=4 5352 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|2,0,0]=4 5353 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|2,0,0]=4 5354 B10R0.19 CC=CC(=O)N(C)CCSC 11a_100000686725_100000210699 [0,2,0,0,0,0|2,0,0]=4 5355 B10R0.19 CC=CC(=O)N(C)CCSC 1626a_100000686725_100000210699 [0,2,0,0,0,0|2,0,0]=4 5356 B10R0.19 CC=CC(=O)N(C)CCSC 240690a_100000686725_100000210699 [0,2,0,0,0,0|2,0,0]=4 5357 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,2,0,0,0,0|1,0,0]=3 5358 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 5359 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 5360 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 5361 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 5362 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|2,0,0]=4 5363 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|2,0,0]=4 5364 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|2,0,0]=4 5365 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|2,0,0]=4 5366 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|2,0,0]=4 5367 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|1,0,0]=3 5368 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|1,1,0]=4 5369 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 5370 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 5371 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 5372 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|2,0,0]=4 5373 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|2,0,0]=4 5374 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|2,0,0]=4 5375 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|2,0,0]=4 5376 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 5378 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,2,0,0,0,0|2,0,0]=4 5379 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 5380 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 5381 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 5382 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|2,0,0]=4 5383 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 5384 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|2,0,0]=4 5385 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|2,0,0]=4 5386 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|2,0,0]=4 5387 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|2,0,0]=4 5388 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|2,0,0]=4 5389 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|2,0,0]=4 5390 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|2,0,0]=4 5391 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,2,0,0,0,0|1,0,1]=4 5392 B10R0.19 CCNC(=O)C(C)NCSC 2230a_100000736553_100011218213 [0,2,0,0,0,0|2,0,0]=4 5393 B10R0.19 CCNC(=O)C(C)NCSC 34a_100000736553_100011218213 [0,2,0,0,0,0|2,0,0]=4 5394 B10R0.19 CCNC(=O)C(C)SCSC 62a_100000230173_100011218213 [0,2,0,0,0,0|2,0,0]=4 5395 B10R0.19 CCNC(=O)C(C)SCSC 62a_100011218213_100000230173 [0,2,0,0,0,0|2,0,0]=4 5396 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,2,0,0,0,0|1,0,0]=3 5397 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [0,2,0,0,0,0|2,0,0]=4 5398 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [0,2,0,0,0,0|2,0,0]=4 5399 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,2,0,0,0,0|1,1,0]=4 5400 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,2,0,0,0,0|1,1,0]=4 5401 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,2,0,0,0,0|1,0,0]=3 5402 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,2,0,0,0,0|1,0,0]=3 5403 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,2,0,0,0,0|1,1,0]=4 5404 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,2,0,0,0,0|1,1,0]=4 5405 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,2,0,0,0,0|1,0,0]=3 5406 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,2,0,0,0,0|1,0,0]=3 5407 B10R0.19 CCSC(=O)[C@H](C)NCSC 2230a_100103168634_100011218213 [0,2,0,0,0,0|1,1,0]=4 5408 B10R0.19 CNNC(=O)C(O)CCSC 22a_100016993582_100000685904 [0,2,0,0,0,0|1,0,0]=3 5409 B10R0.19 CO/N=C(\C)/C(=O)CCSC 1458a_100160996864_100000751147 [0,2,0,0,0,0|1,0,1]=4 5410 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,2,0,0,0,0|1,0,0]=3 5411 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,2,0,0,0,0|1,0,0]=3 5412 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,2,0,0,0,0|1,0,0]=3 5413 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,2,0,0,0,0|1,0,0]=3 5414 B10R0.19 COCCN(C)C(=O)COC 11a_100000743101_100000210968 [0,2,0,0,0,0|1,1,0]=4 5415 B10R0.19 COCCN(C)C(=O)COC 1626a_100000743101_100000210968 [0,2,0,0,0,0|1,1,0]=4 5416 B10R0.19 COCCN(C)C(=O)COC 240690a_100000743101_100000210968 [0,2,0,0,0,0|1,1,0]=4 5417 B10R0.19 COCCN(C)C(=O)COC 527a_100000743101_100000210968 [0,2,0,0,0,0|1,1,0]=4 5418 B10R0.19 CSCCC(O)C(=O)CC#N 1458a_100000685904_100011214920 [0,2,0,0,0,0|1,0,1]=4 5419 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [0,2,0,0,0,0|1,0,0]=3 5420 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|1,0,0]=3 5421 B10R0.19 CSCCN(C)C(=O)CCO 240690a_100000686725_100011216618 [0,2,0,0,0,0|2,0,0]=4 5422 B10R0.19 CSCCN(C)C(=O)CSC 11a_100000686725_100000184570 [0,2,0,0,0,0|1,1,0]=4 5423 B10R0.19 CSCCN(C)C(=O)CSC 1626a_100000686725_100000184570 [0,2,0,0,0,0|1,1,0]=4 5424 B10R0.19 CSCCN(C)C(=O)CSC 240690a_100000686725_100000184570 [0,2,0,0,0,0|1,1,0]=4 5425 B10R0.19 CSCCN(C)C(=O)CSC 527a_100000686725_100000184570 [0,2,0,0,0,0|1,1,0]=4 5426 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,2,0,0,0,0|2,0,0]=4 5427 B10R0.83 C#CC(C)C(=O)CCCOC 1458a_100000741012_200000035995 [0,2,0,0,0,0|1,1,0]=4 5428 B10R0.83 C#CC(C)C(=O)CCCSC 1458a_100000173376_200000035995 [0,2,0,0,0,0|1,0,0]=3 5429 B10R0.83 C#CCCCC(=O)C(C)OC 1458a_100000743197_100000731252 [0,2,0,0,0,0|1,0,1]=4 5430 B10R0.83 C#CCCNC(C)C(=O)OC 34a_100000755551_100000211248 [0,2,0,0,0,0|1,0,1]=4 5431 B10R0.83 C#CCCOC(C)C(=O)OC 34a_100011215400_100000688953 [0,2,0,0,0,0|1,0,1]=4 5432 B10R0.83 C#CCCOC(C)C(=O)OC 34a_100011215631_100000211248 [0,2,0,0,0,0|1,0,1]=4 5433 B10R0.83 C#CCCSC(C)C(=O)OC 62a_100000211248_100000688953 [0,2,0,0,0,0|1,0,1]=4 5434 B10R0.83 C#CCCSC(C)C(=O)OC 62a_100000688953_100000211248 [0,2,0,0,0,0|1,0,1]=4 5435 B10R0.83 C#CCNCC(C)C(=O)OC 34a_100000212058_100000698445 [0,2,0,0,0,0|1,0,1]=4 5436 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000210247_100000698445 [0,2,0,0,0,0|1,0,1]=4 5437 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000749362_100000184674 [0,2,0,0,0,0|1,0,1]=4 5438 B10R0.83 C#CCOCC(C)C(=O)OC 7a_100000749362_100000038162 [0,2,0,0,0,0|1,0,1]=4 5439 B10R0.83 C#CCOCC(F)C(=O)OC 34a_200009849844_100000184674 [0,2,0,0,0,0|1,0,1]=4 5440 B10R0.83 C#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000184674 [0,2,0,0,0,0|1,0,1]=4 5441 B10R0.83 C#CCSCC(C)C(=O)OC 62a_100000038162_100000698445 [0,2,0,0,0,0|1,0,1]=4 5442 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|2,0,0]=4 5443 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [0,2,0,0,0,0|1,1,0]=4 5444 B10R0.83 C/C=C(\C)/C(=O)NCCSC 11a_100020590264_100020587367 [0,2,0,0,0,0|2,0,0]=4 5445 B10R0.83 C/C=C(\C)/C(=O)NCCSC 1626a_100020590264_100020587367 [0,2,0,0,0,0|2,0,0]=4 5446 B10R0.83 C/C=C(\C)/C(C)NCCSC 269862a_100020590264_100020675665 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100011215400_100102629194 [0,2,0,0,0,0|1,0,1]=4 5448 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100016270725_100000211248 [0,2,0,0,0,0|1,0,1]=4 5449 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100000211248_100102629194 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100102629194_100000211248 [0,2,0,0,0,0|1,0,1]=4 5451 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|1,0,1]=4 5452 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|1,0,1]=4 5453 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|1,0,1]=4 5454 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100000766300_100009813391 [0,2,0,0,0,0|0,1,1]=4 5455 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100009813391_100000766300 [0,2,0,0,0,0|0,1,1]=4 5456 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100009813391_100011218213 [0,2,0,0,0,0|0,0,1]=3 5457 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100011218213_100009813391 [0,2,0,0,0,0|0,0,1]=3 5458 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|2,0,0]=4 5459 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|1,1,0]=4 5460 B10R0.83 C=CC(C)C(=O)NCCSC 11a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 5461 B10R0.83 C=CC(C)C(=O)NCCSC 1626a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.83 C=CC(C)C(=O)NCCSC 240690a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 5463 B10R0.83 C=CC(C)C(=O)NCCSC 527a_100020590264_100011216780 [0,2,0,0,0,0|2,0,0]=4 5464 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,2,0,0,0,0|1,0,1]=4 5465 B10R0.83 C=CCCNC(C)C(=O)OC 2230a_100015191253_100000211248 [0,2,0,0,0,0|1,0,1]=4 5466 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011205117_100000211248 [0,2,0,0,0,0|1,0,1]=4 5467 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011215400_100000754431 [0,2,0,0,0,0|1,0,1]=4 5468 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000211248_100000754431 [0,2,0,0,0,0|1,0,1]=4 5469 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000754431_100000211248 [0,2,0,0,0,0|1,0,1]=4 5470 B10R0.83 C=CCOCC(C)C(=O)OC 34a_100000749362_100015514636 [0,2,0,0,0,0|1,0,1]=4 5471 B10R0.83 C=CCOCC(C)C(=O)OC 34a_200000210373_100000698445 [0,2,0,0,0,0|1,0,1]=4 5472 B10R0.83 C=CCOCC(C)C(=O)OC 7a_100000749362_100015514636 [0,2,0,0,0,0|1,0,1]=4 5473 B10R0.83 C=CCOCC(F)C(=O)OC 34a_200009849844_100015514636 [0,2,0,0,0,0|1,0,1]=4 5474 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,2,0,0,0,0|1,0,1]=4 5475 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [0,2,0,0,0,0|1,0,1]=4 5476 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [0,2,0,0,0,0|1,0,1]=4 5477 B10R0.83 CC#CCNC(C)C(=O)OC 2230a_100000685387_100000211248 [0,2,0,0,0,0|1,0,1]=4 5478 B10R0.83 CC#CCNC(C)C(=O)OC 34a_100000685387_100000211248 [0,2,0,0,0,0|1,0,1]=4 5479 B10R0.83 CC#CCOC(C)C(=O)OC 34a_100000761923_100000211248 [0,2,0,0,0,0|1,0,1]=4 5480 B10R0.83 CC#CCOC(C)C(=O)OC 34a_100011215400_100000748600 [0,2,0,0,0,0|1,0,1]=4 5481 B10R0.83 CC#CCSC(C)C(=O)OC 62a_100000211248_100000748600 [0,2,0,0,0,0|1,0,1]=4 5482 B10R0.83 CC#CCSC(C)C(=O)OC 62a_100000748600_100000211248 [0,2,0,0,0,0|1,0,1]=4 5483 B10R0.83 CC=CCOC(C)C(=O)OC 34a_100011215400_100000070051 [0,2,0,0,0,0|1,0,1]=4 5484 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000070051_100000211248 [0,2,0,0,0,0|1,0,1]=4 5485 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000211248_100000070051 [0,2,0,0,0,0|1,0,1]=4 5486 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [0,2,0,0,0,0|1,1,0]=4 5487 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,2,0,0,0,0|1,0,0]=3 5488 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,2,0,0,0,0|1,0,0]=3 5489 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [0,2,0,0,0,0|1,1,0]=4 5490 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [0,2,0,0,0,0|1,1,0]=4 5491 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,2,0,0,0,0|1,0,0]=3 5492 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,2,0,0,0,0|1,0,0]=3 5493 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,2,0,0,0,0|1,1,0]=4 5494 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,2,0,0,0,0|1,1,0]=4 5495 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,2,0,0,0,0|1,1,0]=4 5496 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,2,0,0,0,0|1,1,0]=4 5497 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|1,1,0]=4 5498 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|1,1,0]=4 5499 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|1,0,0]=3 5500 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,2,0,0,0,0|2,0,0]=4 5501 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,2,0,0,0,0|2,0,0]=4 5502 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,2,0,0,0,0|2,0,0]=4 5503 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,2,0,0,0,0|2,0,0]=4 5504 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|1,1,0]=4 5505 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|2,0,0]=4 5506 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|2,0,0]=4 5507 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,2,0,0,0,0|2,0,0]=4 5508 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,2,0,0,0,0|2,0,0]=4 5509 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|2,0,0]=4 5510 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|2,0,0]=4 5511 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|1,0,0]=3 5512 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|1,1,0]=4 5513 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|2,0,0]=4 5514 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|2,0,0]=4 5515 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5516 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5517 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5518 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5519 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|2,0,0]=4 5520 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5523 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5524 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 5525 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5526 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5527 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5528 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5529 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 5530 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 5531 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 5532 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 5533 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 5534 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 5535 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 5536 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 5537 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 5538 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|2,0,0]=4 5539 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 5540 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|2,0,0]=4 5541 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|2,0,0]=4 5542 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|2,0,0]=4 5543 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|2,0,0]=4 5544 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|1,0,0]=3 5545 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|1,0,0]=3 5546 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|2,0,0]=4 5547 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|2,0,0]=4 5548 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|2,0,0]=4 5549 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|2,0,0]=4 5550 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|2,0,0]=4 5551 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|2,0,0]=4 5552 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|2,0,0]=4 5553 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|2,0,0]=4 5554 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|2,0,0]=4 5555 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|2,0,0]=4 5556 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|2,0,0]=4 5557 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 5559 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,0]=3 5560 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 5561 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|2,0,0]=4 5562 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|2,0,0]=4 5563 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|2,0,0]=4 5564 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|2,0,0]=4 5565 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|2,0,0]=4 5566 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|2,0,0]=4 5567 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 5568 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 5569 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 5570 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|2,0,0]=4 5571 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|2,0,0]=4 5572 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|1,0,0]=3 5573 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|1,0,0]=3 5574 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|2,0,0]=4 5575 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|2,0,0]=4 5576 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,2,0,0,0,0|2,0,0]=4 5577 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|2,0,0]=4 5578 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|2,0,0]=4 5579 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 5580 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|1,0,0]=3 5581 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 5582 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 5583 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|1,0,0]=3 5584 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|1,0,0]=3 5585 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 5586 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 5587 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,2,0,0,0,0|2,0,0]=4 5588 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,2,0,0,0,0|2,0,0]=4 5589 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|1,0,0]=3 5590 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|1,0,0]=3 5591 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|1,1,0]=4 5592 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|1,1,0]=4 5593 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|1,1,0]=4 5594 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|1,1,0]=4 5595 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 5596 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 5597 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 5598 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 5599 B10R0.83 CCN(C)C(=O)CSCSC 62a_100000738999_100011218213 [0,2,0,0,0,0|2,0,0]=4 5600 B10R0.83 CCN(C)C(=O)CSCSC 62a_100011218213_100000738999 [0,2,0,0,0,0|2,0,0]=4 5601 B10R0.83 CCN(C)C(=O)NCCSC 2708a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 5602 B10R0.83 CCN(C)C(=O)NCCSC 273464a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 5603 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|1,0,0]=3 5604 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|2,0,0]=4 5605 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|0,1,0]=3 5606 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,2,0,0,0,0|1,1,0]=4 5607 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,2,0,0,0,0|1,1,0]=4 5608 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,1]=4 5609 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|2,0,0]=4 5610 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|0,0,0]=2 5611 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|0,0,0]=2 5612 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,1,0]=4 5613 B10R0.83 CNC(=O)C(=O)NCCSC 1626a_100020590264_100011218921 [0,2,0,0,0,0|1,0,1]=4 5614 B10R0.83 CNC(=O)C(=O)NCCSC 240690a_100020590264_100011218921 [0,2,0,0,0,0|1,0,1]=4 5615 B10R0.83 CNC(=O)C(=O)NCCSC 527a_100020590264_100011218921 [0,2,0,0,0,0|1,0,1]=4 5616 B10R0.83 CNC(=O)C(C)CNCOC 2230a_100015187722_100000766300 [0,2,0,0,0,0|1,1,0]=4 5617 B10R0.83 CNC(=O)C(C)CNCSC 2230a_100015187722_100011218213 [0,2,0,0,0,0|1,0,0]=3 5618 B10R0.83 CNC(=O)C(C)CNCSC 34a_100015187722_100011218213 [0,2,0,0,0,0|1,0,0]=3 5619 B10R0.83 CNC(=O)C(C)NCCOC 2230a_100000209980_100000731044 [0,2,0,0,0,0|1,1,0]=4 5620 B10R0.83 CNC(=O)C(C)NCCSC 2230a_100020590264_100000731044 [0,2,0,0,0,0|1,0,0]=3 5621 B10R0.83 CNC(=O)C(C)OCCOC 34a_100000210237_100000731044 [0,2,0,0,0,0|1,1,0]=4 5622 B10R0.83 CNC(=O)C(C)OCCSC 34a_100000230434_100000731044 [0,2,0,0,0,0|1,0,0]=3 5623 B10R0.83 CNC(=O)C(C)OCCSC 7a_100000230434_100000209862 [0,2,0,0,0,0|1,0,0]=3 5624 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000209862_100000233755 [0,2,0,0,0,0|1,1,0]=4 5625 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000233755_100000731044 [0,2,0,0,0,0|1,1,0]=4 5626 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000209862_100000751147 [0,2,0,0,0,0|1,0,0]=3 5627 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000212216_100000731044 [0,2,0,0,0,0|1,0,0]=3 5628 B10R0.83 CNC(=O)C(F)NCCOC 2230a_100000209980_100009813575 [0,2,0,0,0,0|1,1,0]=4 5629 B10R0.83 CNC(=O)C(F)NCCSC 2230a_100020590264_100009813575 [0,2,0,0,0,0|1,0,0]=3 5630 B10R0.83 CNC(=O)C(F)OCCOC 34a_100000210237_100009813575 [0,2,0,0,0,0|1,1,0]=4 5631 B10R0.83 CNC(=O)C(F)OCCSC 34a_100000230434_100009813575 [0,2,0,0,0,0|1,0,0]=3 5632 B10R0.83 CNC(=O)C(F)OCCSC 7a_100000230434_100009813575 [0,2,0,0,0,0|1,0,0]=3 5633 B10R0.83 CNC(=O)C(F)SCCOC 62a_100000233755_100009813575 [0,2,0,0,0,0|1,1,0]=4 5634 B10R0.83 CNC(=O)C(F)SCCOC 62a_100009813575_100000233755 [0,2,0,0,0,0|1,1,0]=4 5635 B10R0.83 CNC(=O)C(F)SCCSC 62a_100000212216_100009813575 [0,2,0,0,0,0|1,0,0]=3 5636 B10R0.83 CNC(=O)C(F)SCCSC 62a_100009813575_100000751147 [0,2,0,0,0,0|1,0,0]=3 5637 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,2,0,0,0,0|1,1,0]=4 5638 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,2,0,0,0,0|1,1,0]=4 5639 B10R0.83 CNC(=O)[C@@H](C)NCCOC 2230a_100000684985_100011201679 [0,2,0,0,0,0|1,1,0]=4 5640 B10R0.83 CNC(=O)[C@@H](C)NCCOC 34a_100000684985_100011201679 [0,2,0,0,0,0|1,1,0]=4 5641 B10R0.83 CNC(=O)[C@@H](C)NCCSC 2230a_100000684985_100000751147 [0,2,0,0,0,0|1,0,0]=3 5642 B10R0.83 CNC(=O)[C@@H](C)NCCSC 34a_100000684985_100000212216 [0,2,0,0,0,0|1,0,0]=3 5643 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,2,0,0,0,0|1,0,0]=3 5644 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|0,0,1]=3 5645 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|0,0,1]=3 5646 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|0,0,1]=3 5647 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|0,0,1]=3 5648 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|0,0,1]=3 5649 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|0,0,1]=3 5650 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|0,0,0]=2 5651 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|0,0,0]=2 5652 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|2,0,0]=4 5653 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|2,0,0]=4 5654 B10R0.83 COC(=O)C(C)COCC#N 7a_100000749362_100011215382 [0,2,0,0,0,0|2,0,0]=4 5655 B10R0.83 COC(=O)C(C)COCC=O 34a_100000749362_200009817547 [0,2,0,0,0,0|2,0,0]=4 5656 B10R0.83 COC(=O)C(C)COCC=O 7a_100000749362_200015260668 [0,2,0,0,0,0|2,0,0]=4 5657 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 5658 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 5659 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 5660 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|2,0,0]=4 5661 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 5662 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 5663 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|0,0,0]=2 5664 B10R0.83 COC(=O)C(C)CSCC#N 62a_100000698445_100011215382 [0,2,0,0,0,0|2,0,0]=4 5665 B10R0.83 COC(=O)C(C)CSCC#N 62a_100011215382_100000698445 [0,2,0,0,0,0|2,0,0]=4 5666 B10R0.83 COC(=O)C(C)CSCC=O 62a_100000698445_200015260668 [0,2,0,0,0,0|2,0,0]=4 5667 B10R0.83 COC(=O)C(C)CSCC=O 62a_200015260668_100000698445 [0,2,0,0,0,0|2,0,0]=4 5668 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|2,0,0]=4 5669 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|2,0,0]=4 5670 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 5671 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|2,0,0]=4 5672 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|0,0,0]=2 5673 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|0,0,0]=2 5674 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 5675 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 5676 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|0,0,0]=2 5677 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|2,0,0]=4 5678 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|2,0,0]=4 5679 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|2,0,0]=4 5680 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|2,0,0]=4 5681 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|2,0,0]=4 5682 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|2,0,0]=4 5683 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,2,0,0,0,0|1,1,0]=4 5684 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|0,0,0]=2 5685 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|0,0,0]=2 5686 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|0,0,0]=2 5687 B10R0.83 COC(=O)C(C)SCCC#N 62a_100000211248_100011215226 [0,2,0,0,0,0|2,0,0]=4 5688 B10R0.83 COC(=O)C(C)SCCC#N 62a_100011215226_100000211248 [0,2,0,0,0,0|2,0,0]=4 5689 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|2,0,0]=4 5690 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|2,0,0]=4 5691 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|2,0,0]=4 5692 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|2,0,0]=4 5693 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|0,0,0]=2 5694 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|0,0,0]=2 5695 B10R0.83 COC(=O)C(C)SCSC#N 62a_100000211248_100000211825 [0,2,0,0,0,0|1,0,1]=4 5696 B10R0.83 COC(=O)C(C)SCSC#N 62a_100000211825_100000211248 [0,2,0,0,0,0|1,0,1]=4 5697 B10R0.83 COC(=O)C(F)COCC=O 34a_200009849844_200009817547 [0,2,0,0,0,0|2,0,0]=4 5698 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|2,0,0]=4 5699 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|2,0,0]=4 5700 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|0,0,0]=2 5701 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [0,2,0,0,0,0|2,0,0]=4 5702 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|2,0,0]=4 5703 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|2,0,0]=4 5704 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|0,0,0]=2 5705 B10R0.83 COC(C)C(=O)CCCC#N 1458a_100000743197_100000211468 [0,2,0,0,0,0|2,0,0]=4 5706 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|2,0,0]=4 5707 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|2,0,0]=4 5708 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|1,0,0]=3 5709 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|1,0,0]=3 5710 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|1,0,0]=3 5711 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|1,0,0]=3 5712 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000741012_100000703298 [0,2,0,0,0,0|1,1,0]=4 5713 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000753662_100000740836 [0,2,0,0,0,0|1,1,0]=4 5714 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|0,1,0]=3 5715 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|0,2,0]=4 5716 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|1,1,0]=4 5717 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|0,1,1]=4 5718 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|0,1,1]=4 5719 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|0,1,1]=4 5720 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,2,0,0,0,0|1,1,0]=4 5721 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,2,0,0,0,0|1,1,0]=4 5722 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,2,0,0,0,0|1,1,0]=4 5723 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|0,1,0]=3 5724 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|0,1,0]=3 5725 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|0,1,0]=3 5726 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|0,1,0]=3 5727 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|0,1,0]=3 5728 B10R0.83 COCNCC(=O)N(C)OC 2230a_100015207273_100000766300 [0,2,0,0,0,0|1,1,0]=4 5729 B10R0.83 COCSCC(=O)C(=O)OC 62a_100000766300_100011610305 [0,2,0,0,0,0|0,1,1]=4 5730 B10R0.83 COCSCC(=O)C(=O)OC 62a_100011610305_100000766300 [0,2,0,0,0,0|0,1,1]=4 5731 B10R0.83 COCSCC(=O)N(C)OC 62a_100000764215_100000766300 [0,2,0,0,0,0|1,1,0]=4 5732 B10R0.83 COCSCC(=O)N(C)OC 62a_100000766300_100000764215 [0,2,0,0,0,0|1,1,0]=4 5733 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,2,0,0,0,0|0,1,0]=3 5734 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,2,0,0,0,0|0,1,0]=3 5735 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,2,0,0,0,0|0,0,0]=2 5736 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,2,0,0,0,0|0,0,0]=2 5737 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,2,0,0,0,0|0,0,0]=2 5738 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,2,0,0,0,0|0,0,0]=2 5739 B10R0.83 CON(C)C(=O)CNCSC 2230a_100015207273_100011218213 [0,2,0,0,0,0|1,0,0]=3 5740 B10R0.83 CON(C)C(=O)CSCSC 62a_100000764215_100011218213 [0,2,0,0,0,0|1,0,0]=3 5741 B10R0.83 CON(C)C(=O)CSCSC 62a_100011218213_100000764215 [0,2,0,0,0,0|1,0,0]=3 5742 B10R0.83 CSCCCC(=O)C(C)C#N 1458a_100000173376_100000703298 [0,2,0,0,0,0|1,0,0]=3 5743 B10R0.83 CSCCNC(=O)C(C)C#N 11a_100020590264_100000753662 [0,2,0,0,0,0|2,0,0]=4 5744 B10R0.83 CSCCNC(=O)C(C)C#N 1626a_100020590264_100000753662 [0,2,0,0,0,0|2,0,0]=4 5745 B10R0.83 CSCCNC(=O)C(C)C#N 240690a_100020590264_100000753662 [0,2,0,0,0,0|2,0,0]=4 5746 B10R0.83 CSCCNC(=O)C(C)C#N 527a_100020590264_100000753662 [0,2,0,0,0,0|2,0,0]=4 5747 B10R0.83 CSCCNC(=O)C(C)SC 11a_100020590264_100000149566 [0,2,0,0,0,0|1,1,0]=4 5748 B10R0.83 CSCCNC(=O)C(C)SC 1626a_100020590264_100000149566 [0,2,0,0,0,0|1,1,0]=4 5749 B10R0.83 CSCCNC(=O)C(C)SC 240690a_100020590264_100000149566 [0,2,0,0,0,0|1,1,0]=4 5750 B10R0.83 CSCCNC(=O)C(C)SC 527a_100020590264_100000149566 [0,2,0,0,0,0|1,1,0]=4 5751 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,2,0,0,0,0|2,0,0]=4 5752 B10R0.83 CSCCOC(C)C(=O)NN 34a_100000725659_100000212216 [0,2,0,0,0,0|2,0,0]=4 5753 B10R0.83 CSCOCC(N)C(=O)NN 34a_100016989258_100011218213 [0,2,0,0,0,0|2,0,0]=4 5754 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|2,0,0]=4 5755 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|2,0,0]=4 5756 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [0,2,0,0,0,0|1,1,0]=4 5757 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [0,2,0,0,0,0|1,1,0]=4 5758 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [0,2,0,0,0,0|1,0,0]=3 5759 B10R0.91 C#CCCC(=O)NCCSC 11a_100020590264_100000692101 [0,2,0,0,0,0|2,0,0]=4 5760 B10R0.91 C#CCCC(=O)NCCSC 1626a_100020590264_100000692101 [0,2,0,0,0,0|2,0,0]=4 5761 B10R0.91 C#CCCC(=O)NCCSC 240690a_100020590264_100000692101 [0,2,0,0,0,0|2,0,0]=4 5762 B10R0.91 C#CCCC(=O)NCCSC 527a_100020590264_100000692101 [0,2,0,0,0,0|2,0,0]=4 5763 B10R0.91 C#CCCCC(=O)C=COC 1458a_100016268678_100000731252 [0,2,0,0,0,0|1,0,1]=4 5764 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [0,2,0,0,0,0|1,0,1]=4 5765 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [0,2,0,0,0,0|1,0,1]=4 5766 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,2,0,0,0,0|1,0,1]=4 5767 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,2,0,0,0,0|2,0,0]=4 5768 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,2,0,0,0,0|2,0,0]=4 5769 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,2,0,0,0,0|2,0,0]=4 5770 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,2,0,0,0,0|2,0,0]=4 5771 B10R0.91 C#CCNC(=O)CCCOC 11a_100000212058_100000741012 [0,2,0,0,0,0|1,1,0]=4 5772 B10R0.91 C#CCNC(=O)CCCOC 1626a_100000212058_100000741012 [0,2,0,0,0,0|1,1,0]=4 5773 B10R0.91 C#CCNC(=O)CCCOC 240690a_100000212058_100000741012 [0,2,0,0,0,0|1,1,0]=4 5774 B10R0.91 C#CCNC(=O)CCCOC 527a_100000212058_100000741012 [0,2,0,0,0,0|1,1,0]=4 5775 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [0,2,0,0,0,0|1,0,0]=3 5776 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [0,2,0,0,0,0|1,0,0]=3 5777 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [0,2,0,0,0,0|1,0,0]=3 5778 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [0,2,0,0,0,0|1,0,0]=3 5779 B10R0.91 C#CCNC(=O)CNCSC 2230a_100000747989_100011218213 [0,2,0,0,0,0|2,0,0]=4 5780 B10R0.91 C#CCNC(=O)CNCSC 34a_100000747989_100011218213 [0,2,0,0,0,0|2,0,0]=4 5781 B10R0.91 C#CCNC(=O)NCCSC 2708a_100000212058_100020590264 [0,2,0,0,0,0|2,0,0]=4 5782 B10R0.91 C#CCNC(=O)NCCSC 2708a_100020590264_100000212058 [0,2,0,0,0,0|2,0,0]=4 5783 B10R0.91 C#CCNC(=O)NCCSC 273464a_100000212058_100020590264 [0,2,0,0,0,0|2,0,0]=4 5784 B10R0.91 C#CCNC(=O)NCCSC 273464a_100020590264_100000212058 [0,2,0,0,0,0|2,0,0]=4 5785 B10R0.91 C#CCNC(=O)NCCSC 512a_100000212058_100020590264 [0,2,0,0,0,0|2,0,0]=4 5786 B10R0.91 C#CCNC(=O)NCCSC 512a_100020590264_100000212058 [0,2,0,0,0,0|2,0,0]=4 5787 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|2,0,0]=4 5788 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,2,0,0,0,0|1,1,0]=4 5789 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,2,0,0,0,0|1,0,0]=3 5790 B10R0.91 C=C(CSCSC)OCOC 62a_100000042856_100011218213 [0,2,0,0,0,0|2,0,0]=4 5791 B10R0.91 C=C(CSCSC)OCOC 62a_100011218213_100000042856 [0,2,0,0,0,0|2,0,0]=4 5792 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|2,0,0]=4 5793 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|2,0,0]=4 5794 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,2,0,0,0,0|1,1,0]=4 5795 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,2,0,0,0,0|1,1,0]=4 5796 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|1,0,0]=3 5797 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 5798 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 5799 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 5800 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [0,2,0,0,0,0|2,0,0]=4 5801 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [0,2,0,0,0,0|1,0,1]=4 5802 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,2,0,0,0,0|1,0,1]=4 5803 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,2,0,0,0,0|1,0,1]=4 5804 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,2,0,0,0,0|1,0,1]=4 5805 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5806 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5807 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5808 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,2,0,0,0,0|1,1,0]=4 5809 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,2,0,0,0,0|1,1,0]=4 5810 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,2,0,0,0,0|1,1,0]=4 5811 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,2,0,0,0,0|1,0,0]=3 5812 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,2,0,0,0,0|1,0,0]=3 5813 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,2,0,0,0,0|1,0,0]=3 5814 B10R0.91 C=CCNC(=O)CSCSC 62a_100000183597_100011218213 [0,2,0,0,0,0|2,0,0]=4 5815 B10R0.91 C=CCNC(=O)CSCSC 62a_100011218213_100000183597 [0,2,0,0,0,0|2,0,0]=4 5816 B10R0.91 C=CCNC(=O)NCCSC 2708a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 5817 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020586998_100020590264 [0,2,0,0,0,0|2,0,0]=4 5818 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 5819 B10R0.91 C=CCNC(=O)NCCSC 512a_100020586998_100020590264 [0,2,0,0,0,0|2,0,0]=4 5820 B10R0.91 C=CCNC(=O)NCCSC 512a_100020590264_100020586998 [0,2,0,0,0,0|2,0,0]=4 5821 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|2,0,0]=4 5822 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|2,0,0]=4 5823 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|2,0,0]=4 5824 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,2,0,0,0,0|1,1,0]=4 5825 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,2,0,0,0,0|1,1,0]=4 5826 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,2,0,0,0,0|1,0,0]=3 5827 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,2,0,0,0,0|1,0,0]=3 5828 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,2,0,0,0,0|2,0,0]=4 5829 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [0,2,0,0,0,0|1,1,0]=4 5830 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [0,2,0,0,0,0|1,0,0]=3 5831 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|2,0,0]=4 5832 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|2,0,0]=4 5833 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,2,0,0,0,0|1,1,0]=4 5834 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,2,0,0,0,0|1,1,0]=4 5835 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,2,0,0,0,0|1,0,0]=3 5836 B10R0.91 CC=CCC(=O)NCCSC 11a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 5837 B10R0.91 CC=CCC(=O)NCCSC 1626a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 5838 B10R0.91 CC=CCC(=O)NCCSC 240690a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 5839 B10R0.91 CC=CCC(=O)NCCSC 527a_100020590264_100121576822 [0,2,0,0,0,0|2,0,0]=4 5840 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [0,2,0,0,0,0|2,0,0]=4 5841 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|2,0,0]=4 5842 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,2,0,0,0,0|1,1,0]=4 5843 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|2,0,0]=4 5844 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|1,1,0]=4 5845 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 5846 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 5847 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 5848 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|1,1,0]=4 5849 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|1,1,0]=4 5850 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,2,0,0,0,0|1,0,0]=3 5851 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,2,0,0,0,0|2,0,0]=4 5852 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,2,0,0,0,0|2,0,0]=4 5853 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,2,0,0,0,0|2,0,0]=4 5854 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,2,0,0,0,0|2,0,0]=4 5855 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,2,0,0,0,0|2,0,0]=4 5856 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|1,0,0]=3 5857 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|2,0,0]=4 5860 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|2,0,0]=4 5861 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|2,0,0]=4 5862 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|2,0,0]=4 5863 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|1,0,0]=3 5864 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|1,0,0]=3 5865 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|1,1,0]=4 5866 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|1,1,0]=4 5867 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|1,0,0]=3 5869 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|1,0,0]=3 5870 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|1,1,0]=4 5871 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|1,1,0]=4 5872 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|1,1,0]=4 5873 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|1,1,0]=4 5874 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|1,1,0]=4 5875 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5876 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|2,0,0]=4 5878 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|2,0,0]=4 5879 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|2,0,0]=4 5880 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|2,0,0]=4 5881 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 5882 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 5883 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 5884 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 5885 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|2,0,0]=4 5886 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|2,0,0]=4 5887 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|2,0,0]=4 5888 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,2,0,0,0,0|2,0,0]=4 5889 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,2,0,0,0,0|2,0,0]=4 5890 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|2,0,0]=4 5891 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|2,0,0]=4 5892 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|2,0,0]=4 5893 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|2,0,0]=4 5894 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,2,0,0,0,0|2,0,0]=4 5895 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,2,0,0,0,0|2,0,0]=4 5896 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,2,0,0,0,0|2,0,0]=4 5897 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,2,0,0,0,0|2,0,0]=4 5898 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,2,0,0,0,0|2,0,0]=4 5899 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|2,0,0]=4 5900 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,2,0,0,0,0|2,0,0]=4 5901 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,2,0,0,0,0|2,0,0]=4 5902 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,2,0,0,0,0|1,1,0]=4 5903 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,2,0,0,0,0|1,1,0]=4 5904 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,2,0,0,0,0|1,1,0]=4 5905 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,2,0,0,0,0|1,1,0]=4 5906 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 5907 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 5908 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 5909 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 5910 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,2,0,0,0,0|1,0,0]=3 5911 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,2,0,0,0,0|1,0,0]=3 5912 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,2,0,0,0,0|1,0,0]=3 5913 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,2,0,0,0,0|1,0,0]=3 5914 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [0,2,0,0,0,0|2,0,0]=4 5915 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [0,2,0,0,0,0|2,0,0]=4 5916 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [0,2,0,0,0,0|2,0,0]=4 5917 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [0,2,0,0,0,0|2,0,0]=4 5918 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [0,2,0,0,0,0|2,0,0]=4 5919 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [0,2,0,0,0,0|2,0,0]=4 5920 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [0,2,0,0,0,0|2,0,0]=4 5923 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,2,0,0,0,0|2,0,0]=4 5925 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,2,0,0,0,0|1,1,0]=4 5926 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,2,0,0,0,0|1,1,0]=4 5927 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,2,0,0,0,0|1,0,0]=3 5928 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,2,0,0,0,0|1,0,0]=3 5929 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|2,0,0]=4 5930 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,2,0,0,0,0|2,0,0]=4 5931 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|2,0,0]=4 5932 B10R0.91 CCNN=C(C)CCCSC 4a_100000756455_100011399439 [0,2,0,0,0,0|2,0,0]=4 5933 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,2,0,0,0,0|1,1,0]=4 5934 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,2,0,0,0,0|1,0,0]=3 5935 B10R0.91 CCNNC(=O)NCCSC 273464a_100020590264_100000756455 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.91 CCNNC(=O)NCCSC 512a_100000756455_100020590264 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.91 CCNNC(=O)NCCSC 512a_100020590264_100000756455 [0,2,0,0,0,0|2,0,0]=4 5938 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,2,0,0,0,0|2,0,0]=4 5939 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,2,0,0,0,0|2,0,0]=4 5940 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,2,0,0,0,0|2,0,0]=4 5941 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|0,1,0]=3 5942 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,2,0,0,0,0|2,0,0]=4 5943 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,2,0,0,0,0|1,1,0]=4 5944 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,2,0,0,0,0|1,1,0]=4 5945 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,2,0,0,0,0|1,1,0]=4 5946 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,2,0,0,0,0|1,1,0]=4 5947 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,2,0,0,0,0|1,0,0]=3 5948 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,2,0,0,0,0|1,0,0]=3 5949 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,2,0,0,0,0|1,0,0]=3 5950 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,2,0,0,0,0|1,0,0]=3 5951 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,2,0,0,0,0|1,1,0]=4 5952 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|2,0,0]=4 5954 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|2,0,0]=4 5955 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,2,0,0,0,0|2,0,0]=4 5956 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,2,0,0,0,0|0,2,0]=4 5957 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [0,2,0,0,0,0|1,1,0]=4 5958 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [0,2,0,0,0,0|1,1,0]=4 5959 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [0,2,0,0,0,0|1,1,0]=4 5960 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [0,2,0,0,0,0|1,1,0]=4 5961 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,2,0,0,0,0|2,0,0]=4 5962 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|2,0,0]=4 5963 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|2,0,0]=4 5964 B10R0.91 COC=CC(=O)CCCC#N 1458a_100016268678_100000211468 [0,2,0,0,0,0|2,0,0]=4 5965 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,2,0,0,0,0|2,0,0]=4 5966 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,2,0,0,0,0|2,0,0]=4 5967 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,2,0,0,0,0|0,1,0]=3 5968 B10R0.91 COC=CC(=O)NCCOC 1626a_100000209980_100016268678 [0,2,0,0,0,0|1,1,0]=4 5969 B10R0.91 COC=CC(=O)NCCOC 240690a_100000209980_100016268678 [0,2,0,0,0,0|1,1,0]=4 5970 B10R0.91 COC=CC(=O)NCCSC 1626a_100020590264_100016268678 [0,2,0,0,0,0|1,0,0]=3 5971 B10R0.91 COC=CC(=O)NCCSC 240690a_100020590264_100016268678 [0,2,0,0,0,0|1,0,0]=3 5972 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [0,2,0,0,0,0|2,0,0]=4 5973 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [0,2,0,0,0,0|2,0,0]=4 5974 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|2,0,0]=4 5975 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|2,0,0]=4 5976 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|0,0,0]=2 5978 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 5979 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 5980 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 5981 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 5982 B10R0.91 COCCCC(=O)C#CCO 1458a_100000049017_100000740836 [0,2,0,0,0,0|1,1,0]=4 5983 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [0,2,0,0,0,0|1,1,0]=4 5984 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [0,2,0,0,0,0|1,1,0]=4 5985 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,2,0,0,0,0|1,1,0]=4 5986 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,2,0,0,0,0|1,1,0]=4 5987 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|0,1,0]=3 5988 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|0,1,0]=3 5989 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,2,0,0,0,0|0,2,0]=4 5990 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,2,0,0,0,0|0,2,0]=4 5991 B10R0.91 COCCCC(=O)NCC#N 1626a_100000734998_100000741012 [0,2,0,0,0,0|1,1,0]=4 5992 B10R0.91 COCCCC(=O)NCC#N 527a_100000734998_100000741012 [0,2,0,0,0,0|1,1,0]=4 5993 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,2,0,0,0,0|1,1,0]=4 5994 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,2,0,0,0,0|1,1,0]=4 5995 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,2,0,0,0,0|1,1,0]=4 5996 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,2,0,0,0,0|1,1,0]=4 5997 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,2,0,0,0,0|1,1,0]=4 5998 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,2,0,0,0,0|1,1,0]=4 5999 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,2,0,0,0,0|1,1,0]=4 6000 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,2,0,0,0,0|1,1,0]=4 6001 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,2,0,0,0,0|1,1,0]=4 6002 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [0,2,0,0,0,0|1,0,0]=3 6003 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,2,0,0,0,0|1,0,0]=3 6004 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,2,0,0,0,0|1,0,0]=3 6005 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,2,0,0,0,0|0,1,0]=3 6006 B10R0.91 CSCCCC(=O)NCC#N 1626a_100000734998_100000173376 [0,2,0,0,0,0|1,0,0]=3 6007 B10R0.91 CSCCCC(=O)NCC#N 527a_100000734998_100000173376 [0,2,0,0,0,0|1,0,0]=3 6008 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 6009 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 6010 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 6011 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 6012 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,2,0,0,0,0|1,0,0]=3 6013 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,2,0,0,0,0|1,0,0]=3 6014 B10R0.91 CSCCNC(=O)CCC#N 11a_100020590264_100011934036 [0,2,0,0,0,0|2,0,0]=4 6015 B10R0.91 CSCCNC(=O)CCC#N 1626a_100020590264_100011934036 [0,2,0,0,0,0|2,0,0]=4 6016 B10R0.91 CSCCNC(=O)CCC#N 240690a_100020590264_100011934036 [0,2,0,0,0,0|2,0,0]=4 6017 B10R0.91 CSCCNC(=O)CCC#N 527a_100020590264_100011934036 [0,2,0,0,0,0|2,0,0]=4 6018 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [0,2,0,0,0,0|1,1,0]=4 6019 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [0,2,0,0,0,0|1,1,0]=4 6020 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [0,2,0,0,0,0|1,1,0]=4 6021 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [0,2,0,0,0,0|1,1,0]=4 6022 B10R0.91 CSCCNC(=O)NCC#N 2708a_100000734998_100020590264 [0,2,0,0,0,0|2,0,0]=4 6023 B10R0.91 CSCCNC(=O)NCC#N 273464a_100000734998_100020590264 [0,2,0,0,0,0|2,0,0]=4 6024 B10R0.91 CSCCNC(=O)NCC#N 273464a_100020590264_100000734998 [0,2,0,0,0,0|2,0,0]=4 6025 B10R0.91 CSCCNC(=O)NCC#N 512a_100000734998_100020590264 [0,2,0,0,0,0|2,0,0]=4 6026 B10R0.91 CSCCNC(=O)NCC#N 512a_100020590264_100000734998 [0,2,0,0,0,0|2,0,0]=4 6027 B10R0.91 CSCCNC(=O)NCCF 2708a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 6028 B10R0.91 CSCCNC(=O)NCCF 273464a_100000724931_100020590264 [0,2,0,0,0,0|2,0,0]=4 6029 B10R0.91 CSCCNC(=O)NCCF 273464a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 6030 B10R0.91 CSCCNC(=O)NCCF 512a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 6031 B10R0.91 CSCCNC(=O)NCCO 2708a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 6032 B10R0.91 CSCCNC(=O)NCCO 273464a_100000210304_100020590264 [0,2,0,0,0,0|2,0,0]=4 6033 B10R0.91 CSCCNC(=O)NCCO 273464a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 6034 B10R0.91 CSCCNC(=O)NCCO 512a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 6035 B10R0.91 CSCNCC(=O)NCCF 2230a_100000725713_100011218213 [0,2,0,0,0,0|2,0,0]=4 6036 B10R0.91 CSCSCC(=O)NCC#N 62a_100000736037_100011218213 [0,2,0,0,0,0|2,0,0]=4 6037 B10R0.91 CSCSCC(=O)NCC#N 62a_100011218213_100000736037 [0,2,0,0,0,0|2,0,0]=4 6038 B10R0.108 C#CCC(=O)CCC(=O)OC 1458a_100000187943_100000184674 [0,2,0,0,0,0|1,0,1]=4 6039 B10R0.108 C#CCC(C)OCC(=O)OC 34a_100000685586_100000747449 [0,2,0,0,0,0|1,0,1]=4 6040 B10R0.108 C#CCC(C)OCC(=O)OC 7a_100000685586_100000747449 [0,2,0,0,0,0|1,0,1]=4 6041 B10R0.108 C#CCN(C)CCC(=O)OC 2230a_100000225692_100000204255 [0,2,0,0,0,0|1,0,1]=4 6042 B10R0.108 C#CCN(C)CCC(=O)OC 34a_100000225692_100000742370 [0,2,0,0,0,0|1,0,1]=4 6043 B10R0.108 C/C=C/C(C)OCC(=O)OC 34a_200102604097_100000747449 [0,2,0,0,0,0|1,0,1]=4 6044 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,2,0,0,0,0|1,0,1]=4 6045 B10R0.108 C=CCN(C)CCC(=O)OC 2230a_100000225617_100000204255 [0,2,0,0,0,0|1,0,1]=4 6046 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100000225617_100000204255 [0,2,0,0,0,0|1,0,1]=4 6047 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100025711912_100000210623 [0,2,0,0,0,0|1,0,1]=4 6048 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 34a_100000731007_100000747449 [0,2,0,0,0,0|1,0,1]=4 6049 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 7a_100000731007_100000747449 [0,2,0,0,0,0|1,0,1]=4 6050 B10R0.108 CC#CC(C)OCC(=O)OC 34a_100011216543_100000747449 [0,2,0,0,0,0|1,0,1]=4 6051 B10R0.108 CCC(=O)COC(C)COC 34a_100000725409_100000765312 [0,2,0,0,0,0|1,1,0]=4 6052 B10R0.108 CCC(=O)CSC(C)COC 62a_100000747405_100000765312 [0,2,0,0,0,0|1,1,0]=4 6053 B10R0.108 CCC(=O)CSC(C)COC 62a_100000765312_100000747405 [0,2,0,0,0,0|1,1,0]=4 6054 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,2,0,0,0,0|1,1,0]=4 6055 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,2,0,0,0,0|1,1,0]=4 6056 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|2,0,0]=4 6057 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|2,0,0]=4 6058 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,2,0,0,0,0|2,0,0]=4 6059 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 6060 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 6061 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 6062 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 6063 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,2,0,0,0,0|2,0,0]=4 6064 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 6065 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 6066 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 6067 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|2,0,0]=4 6068 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,0,0]=3 6069 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|2,0,0]=4 6070 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,2,0,0,0,0|1,0,1]=4 6071 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|1,0,1]=4 6072 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [0,2,0,0,0,0|2,0,0]=4 6073 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [0,2,0,0,0,0|2,0,0]=4 6074 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [0,2,0,0,0,0|2,0,0]=4 6075 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|1,0,0]=3 6076 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|2,0,0]=4 6077 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|2,0,0]=4 6078 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [0,2,0,0,0,0|2,0,0]=4 6079 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [0,2,0,0,0,0|2,0,0]=4 6080 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [0,2,0,0,0,0|2,0,0]=4 6081 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|1,0,0]=3 6082 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|1,0,0]=3 6083 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,2,0,0,0,0|2,0,0]=4 6084 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,2,0,0,0,0|2,0,0]=4 6085 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [0,2,0,0,0,0|2,0,0]=4 6086 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [0,2,0,0,0,0|2,0,0]=4 6087 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|1,0,0]=3 6088 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|1,0,0]=3 6089 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [0,2,0,0,0,0|2,0,0]=4 6090 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [0,2,0,0,0,0|2,0,0]=4 6091 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [0,2,0,0,0,0|2,0,0]=4 6092 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [0,2,0,0,0,0|2,0,0]=4 6093 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|1,0,0]=3 6094 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|1,0,0]=3 6095 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|1,0,0]=3 6096 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 6097 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 6098 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 6099 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 6100 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 6101 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 6102 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|2,0,0]=4 6103 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|1,0,1]=4 6104 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|1,0,1]=4 6105 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 6106 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 6107 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|1,0,0]=3 6108 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|1,0,0]=3 6109 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|1,0,0]=3 6110 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|0,1,0]=3 6111 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|0,0,0]=2 6112 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|0,0,0]=2 6113 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|0,0,0]=2 6114 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|0,0,0]=2 6115 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|2,0,0]=4 6116 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|2,0,0]=4 6117 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|2,0,0]=4 6118 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|2,0,0]=4 6119 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|2,0,0]=4 6120 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|2,0,0]=4 6121 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|2,0,0]=4 6122 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|2,0,0]=4 6123 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|2,0,0]=4 6124 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|2,0,0]=4 6125 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|2,0,0]=4 6126 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|2,0,0]=4 6127 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,2,0,0,0,0|1,1,0]=4 6128 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,2,0,0,0,0|1,1,0]=4 6129 B10R0.108 CNC(=O)CCN(C)COC 2230a_100000750875_100000766300 [0,2,0,0,0,0|1,1,0]=4 6130 B10R0.108 CNC(=O)CCN(C)COC 269982a_100000750875_100000766300 [0,2,0,0,0,0|1,1,0]=4 6131 B10R0.108 CNC(=O)CCN(C)CSC 2230a_100000750875_100011218213 [0,2,0,0,0,0|1,0,0]=3 6132 B10R0.108 CNC(=O)CCN(C)CSC 269982a_100000750875_100011218213 [0,2,0,0,0,0|1,0,0]=3 6133 B10R0.108 CNC(=O)CNC(=O)CSC 11a_100000693194_100000184570 [0,2,0,0,0,0|1,0,1]=4 6134 B10R0.108 CNC(=O)CNC(=O)CSC 240690a_100000693194_100000184570 [0,2,0,0,0,0|1,0,1]=4 6135 B10R0.108 CNC(=O)CNC(=O)CSC 527a_100000693194_100000184570 [0,2,0,0,0,0|1,0,1]=4 6136 B10R0.108 CNC(=O)CNC(C)COC 2230a_100000693194_100000765312 [0,2,0,0,0,0|1,1,0]=4 6137 B10R0.108 CNC(=O)CNC(C)COC 270004a_100000693194_100000749346 [0,2,0,0,0,0|1,1,0]=4 6138 B10R0.108 CNC(=O)CNC(C)CSC 270004a_100000693194_100011216314 [0,2,0,0,0,0|1,0,0]=3 6139 B10R0.108 CNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183359 [0,2,0,0,0,0|1,1,0]=4 6140 B10R0.108 CNC(=O)COC(C)COC 34a_100000750040_100000765312 [0,2,0,0,0,0|1,1,0]=4 6141 B10R0.108 CNC(=O)CO[C@H](C)COC 34a_100011934205_100000183359 [0,2,0,0,0,0|1,1,0]=4 6142 B10R0.108 CNC(=O)CSC(C)COC 62a_100000183359_100000765312 [0,2,0,0,0,0|1,1,0]=4 6143 B10R0.108 CNC(=O)CSC(C)COC 62a_100000765312_100000183359 [0,2,0,0,0,0|1,1,0]=4 6144 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [0,2,0,0,0,0|1,1,0]=4 6145 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [0,2,0,0,0,0|1,1,0]=4 6146 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [0,2,0,0,0,0|1,1,0]=4 6147 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [0,2,0,0,0,0|1,1,0]=4 6148 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [0,2,0,0,0,0|1,1,0]=4 6149 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|1,0,0]=3 6150 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|1,0,0]=3 6151 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|1,0,0]=3 6152 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [0,2,0,0,0,0|1,0,1]=4 6153 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [0,2,0,0,0,0|1,0,1]=4 6154 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [0,2,0,0,0,0|1,0,1]=4 6155 B10R0.108 COC(=O)CCC(=O)CC#N 1458a_100000187943_100011214920 [0,2,0,0,0,0|2,0,0]=4 6156 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|1,0,1]=4 6157 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|1,0,1]=4 6158 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|0,0,0]=2 6159 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|0,0,0]=2 6160 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|0,0,0]=2 6161 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|0,0,0]=2 6162 B10R0.108 COC(=O)CCN(C)CC#N 2230a_100000748184_100000204255 [0,2,0,0,0,0|2,0,0]=4 6163 B10R0.108 COC(=O)CCN(C)CC#N 269982a_100025711912_100011214920 [0,2,0,0,0,0|2,0,0]=4 6164 B10R0.108 COC(=O)CCN(C)CC=O 269982a_100025711912_200015260668 [0,2,0,0,0,0|2,0,0]=4 6165 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,2,0,0,0,0|2,0,0]=4 6166 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 6167 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 6168 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,2,0,0,0,0|2,0,0]=4 6169 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,2,0,0,0,0|0,0,0]=2 6170 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [0,2,0,0,0,0|0,0,1]=3 6171 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [0,2,0,0,0,0|0,0,1]=3 6172 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [0,2,0,0,0,0|0,0,1]=3 6173 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [0,2,0,0,0,0|0,0,1]=3 6174 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [0,2,0,0,0,0|0,0,1]=3 6175 B10R0.108 COC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000747449 [0,2,0,0,0,0|2,0,0]=4 6176 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 6177 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 6178 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,2,0,0,0,0|2,0,0]=4 6179 B10R0.108 COC(=O)CSC(C)CC#N 62a_100000747449_100009813641 [0,2,0,0,0,0|2,0,0]=4 6180 B10R0.108 COC(=O)CSC(C)CC#N 62a_100009813641_100000747449 [0,2,0,0,0,0|2,0,0]=4 6181 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,2,0,0,0,0|2,0,0]=4 6182 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,2,0,0,0,0|2,0,0]=4 6183 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|0,1,0]=3 6184 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,2,0,0,0,0|0,1,1]=4 6185 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,2,0,0,0,0|0,1,1]=4 6186 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,2,0,0,0,0|1,1,0]=4 6187 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,2,0,0,0,0|1,1,0]=4 6188 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,2,0,0,0,0|1,1,0]=4 6189 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,2,0,0,0,0|1,1,0]=4 6190 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,2,0,0,0,0|0,1,0]=3 6191 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,2,0,0,0,0|0,1,0]=3 6192 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [0,2,0,0,0,0|0,1,0]=3 6193 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,2,0,0,0,0|0,1,0]=3 6194 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,2,0,0,0,0|0,1,0]=3 6195 B10R0.108 CO[C@H](C)CNC(C)CSC 270004a_100020591295_100011216314 [0,2,0,0,0,0|1,0,1]=4 6196 B10R0.156 CCO[Si](C)(C)CCCSC 62a_100000070546_200000210301 [0,2,0,0,0,0|1,1,0]=4 6197 B10R0.156 CCO[Si](C)(C)CCCSC 62a_200000210301_100000070546 [0,2,0,0,0,0|1,1,0]=4 6198 B10R0.156 CCO[Si](C)(C)CCCS[13CH3] 62a_100000070546_200025704644 [0,2,0,0,0,0|1,1,0]=4 6199 B10R0.156 CCO[Si](C)(C)CCCS[13CH3] 62a_200025704644_100000070546 [0,2,0,0,0,0|1,1,0]=4 6200 B10R0.35 CCC(=O)C(C)C(=O)CSC 1458a_100000184570_100000742827 [0,2,0,0,0,0|1,0,1]=4 6201 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|1,0,1]=4 6202 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|1,0,1]=4 6203 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 6204 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 6205 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 6206 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 6207 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 6208 B10R0.35 CNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000209862 [0,2,0,0,0,0|1,0,1]=4 6209 B10R0.35 CNC(=O)C(F)C(=O)CSC 1458a_100000184570_100009813575 [0,2,0,0,0,0|1,0,1]=4 6210 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [0,2,0,0,0,0|0,0,1]=3 6211 B10R0.35 COC(=O)C(C)N(C)CSC 2230a_100000725243_100011218213 [0,2,0,0,0,0|1,0,0]=3 6212 B10R0.35 COC(=O)C(C)N(C)CSC 269982a_100000725243_100011218213 [0,2,0,0,0,0|1,0,0]=3 6213 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [0,2,0,0,0,0|0,1,1]=4 6214 B10R0.35 COCN(C)C(C)C(=O)OC 2230a_100000725243_100000766300 [0,2,0,0,0,0|1,1,0]=4 6215 B10R0.35 COCN(C)C(C)C(=O)OC 269982a_100000725243_100000766300 [0,2,0,0,0,0|1,1,0]=4 6216 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,2,0,0,0,0|1,0,1]=4 6217 B10R0.46 CCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747405 [0,2,0,0,0,0|1,0,1]=4 6218 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,2,0,0,0,0|1,0,1]=4 6219 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,2,0,0,0,0|1,0,1]=4 6220 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [0,2,0,0,0,0|2,0,0]=4 6221 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [0,2,0,0,0,0|2,0,0]=4 6223 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|2,0,0]=4 6224 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|2,0,0]=4 6225 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|2,0,0]=4 6226 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|2,0,0]=4 6227 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|2,0,0]=4 6228 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [0,2,0,0,0,0|1,0,1]=4 6229 B10R0.46 CCN(C)C(C)CC(=O)OC 2230a_100000225621_100009817358 [0,2,0,0,0,0|2,0,0]=4 6230 B10R0.46 CCN(C)C(C)CC(=O)OC 269982a_100000225621_100009817358 [0,2,0,0,0,0|2,0,0]=4 6231 B10R0.46 CCN(C)CC(C)C(=O)OC 269982a_100000225621_100000698445 [0,2,0,0,0,0|2,0,0]=4 6232 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,2,0,0,0,0|1,0,1]=4 6233 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,2,0,0,0,0|1,0,1]=4 6234 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,2,0,0,0,0|1,0,1]=4 6235 B10R0.46 CNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183359 [0,2,0,0,0,0|1,0,1]=4 6236 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100000211248_100009879195 [0,2,0,0,0,0|1,1,0]=4 6237 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100009879195_100000211248 [0,2,0,0,0,0|1,1,0]=4 6238 B10R0.46 COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747449 [0,2,0,0,0,0|0,1,1]=4 6239 B10R0.46 COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747449 [0,2,0,0,0,0|0,0,1]=3 6240 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_100009997173_200000210301 [0,2,0,0,0,0|0,0,1]=3 6241 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_200000210301_100009997173 [0,2,0,0,0,0|0,0,1]=3 6242 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_100009997173_200025704644 [0,2,0,0,0,0|0,0,1]=3 6243 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100009997173 [0,2,0,0,0,0|0,0,1]=3 6244 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|2,0,0]=4 6245 B10R0.81 C=C(C)C(=O)N(C)CCSC 11a_100000686725_100000185857 [0,2,0,0,0,0|2,0,0]=4 6246 B10R0.81 C=C(C)C(=O)N(C)CCSC 1626a_100000686725_100000185857 [0,2,0,0,0,0|2,0,0]=4 6247 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000210198_200011215066 [0,2,0,0,0,0|2,0,0]=4 6248 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000725509_100000210206 [0,2,0,0,0,0|2,0,0]=4 6249 B10R0.81 CCCCC(C)C(=O)C(C)F 1458a_100000062450_200011215066 [0,2,0,0,0,0|2,0,0]=4 6250 B10R0.81 CCCCC(C)C(=O)N(C)C 11a_100102631434_100000725509 [0,2,0,0,0,0|2,0,0]=4 6251 B10R0.81 CCCCC(C)C(=O)N(C)C 1626a_100102631434_100000725509 [0,2,0,0,0,0|2,0,0]=4 6252 B10R0.81 CCCCC(C)C(=O)N(C)C 240690a_100102631434_100000725509 [0,2,0,0,0,0|2,0,0]=4 6253 B10R0.81 CCCCC(C)C(=O)N(C)C 527a_100102631434_100000725509 [0,2,0,0,0,0|2,0,0]=4 6254 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,2,0,0,0,0|2,0,0]=4 6255 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,2,0,0,0,0|2,0,0]=4 6256 B10R0.81 CCCCC(O)C(=O)C(C)C 1458a_100000720857_100000210206 [0,2,0,0,0,0|2,0,0]=4 6257 B10R0.81 CCCCC(O)C(=O)N(C)C 240690a_100102631434_100000720857 [0,2,0,0,0,0|2,0,0]=4 6258 B10R0.81 CCCCC(O)C(=O)N(C)C 527a_100102631434_100000720857 [0,2,0,0,0,0|2,0,0]=4 6259 B10R0.81 CSCCC(=O)C(=O)N(C)C 1458a_100011218876_100000751147 [0,2,0,0,0,0|1,0,1]=4 6260 B10R0.81 CSCCC(O)C(=O)C(C)C 1458a_100000685904_100000210206 [0,2,0,0,0,0|1,0,0]=3 6261 B10R0.81 CSCCC(O)C(=O)N(C)C 240690a_100102631434_100000685904 [0,2,0,0,0,0|1,0,0]=3 6262 B10R0.81 CSCCN(C)C(=O)C(C)C 11a_100000686725_100000210198 [0,2,0,0,0,0|2,0,0]=4 6263 B10R0.81 CSCCN(C)C(=O)C(C)C 1626a_100000686725_100000210198 [0,2,0,0,0,0|2,0,0]=4 6264 B10R0.81 CSCCN(C)C(=O)C(C)C 240690a_100000686725_100000210198 [0,2,0,0,0,0|2,0,0]=4 6265 B10R0.81 CSCCN(C)C(=O)C(C)C 527a_100000686725_100000210198 [0,2,0,0,0,0|2,0,0]=4 6266 B10R0.81 CSCCN(C)C(=O)C(C)F 11a_100000686725_100000062450 [0,2,0,0,0,0|2,0,0]=4 6267 B10R0.81 CSCCN(C)C(=O)C(C)F 1626a_100000686725_100000062450 [0,2,0,0,0,0|2,0,0]=4 6268 B10R0.81 CSCCN(C)C(=O)C(C)F 240690a_100000686725_100000062450 [0,2,0,0,0,0|2,0,0]=4 6269 B10R0.81 CSCCN(C)C(=O)C(C)F 527a_100000686725_100000062450 [0,2,0,0,0,0|2,0,0]=4 6270 B10R0.81 CSCCN(C)C(=O)[C@@H](C)O 240690a_100000686725_100000717761 [0,2,0,0,0,0|2,0,0]=4 6271 B10R0.81 CSCCN(C)C(=O)[C@H](C)O 1626a_100000686725_217856618621 [0,2,0,0,0,0|2,0,0]=4 6272 B10R0.81 CSCCN(C)C(=O)[C@H](C)O 240690a_100000686725_217856618621 [0,2,0,0,0,0|2,0,0]=4 6273 B10R0.81 CSCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100011218213 [0,2,0,0,0,0|2,0,0]=4 6274 B10R0.81 CSCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100011218213 [0,2,0,0,0,0|2,0,0]=4 6275 B10R0.81 CSCSC(C)C(=O)C(C)C 62a_100009893295_100011218213 [0,2,0,0,0,0|2,0,0]=4 6276 B10R0.81 CSCSC(C)C(=O)C(C)C 62a_100011218213_100009893295 [0,2,0,0,0,0|2,0,0]=4 6277 B10R0.81 CSCSC(C)C(=O)N(C)C 62a_100000209910_100011218213 [0,2,0,0,0,0|2,0,0]=4 6278 B10R0.81 CSCSC(C)C(=O)N(C)C 62a_100011218213_100000209910 [0,2,0,0,0,0|2,0,0]=4 6279 B10R0.85 CCC(=O)C(CC)OCSC 34a_200011218131_100011218213 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.85 CCC(OCSC)C(=O)OC 34a_100000695916_100011218213 [0,2,0,0,0,0|1,0,0]=3 6281 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000235869_100000766300 [0,2,0,0,0,0|1,1,0]=4 6282 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000766300_100000235869 [0,2,0,0,0,0|1,1,0]=4 6283 B10R0.85 CCC(SCSC)C(=O)OC 62a_100000235869_100011218213 [0,2,0,0,0,0|1,0,0]=3 6284 B10R0.85 CCC(SCSC)C(=O)OC 62a_100011218213_100000235869 [0,2,0,0,0,0|1,0,0]=3 6285 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|2,0,0]=4 6286 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|2,0,0]=4 6287 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,2,0,0,0,0|2,0,0]=4 6288 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,2,0,0,0,0|2,0,0]=4 6289 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,2,0,0,0,0|2,0,0]=4 6290 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,2,0,0,0,0|2,0,0]=4 6291 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|1,0,0]=3 6292 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|1,0,0]=3 6293 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|1,0,0]=3 6294 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|1,0,0]=3 6295 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|1,0,0]=3 6296 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|1,0,0]=3 6297 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|1,0,0]=3 6298 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|1,0,0]=3 6299 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [0,2,0,0,0,0|2,0,0]=4 6300 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [0,2,0,0,0,0|2,0,0]=4 6301 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [0,2,0,0,0,0|2,0,0]=4 6302 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [0,2,0,0,0,0|2,0,0]=4 6303 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,2,0,0,0,0|2,0,0]=4 6304 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [0,2,0,0,0,0|2,0,0]=4 6305 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [0,2,0,0,0,0|2,0,0]=4 6306 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [0,2,0,0,0,0|2,0,0]=4 6307 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [0,2,0,0,0,0|2,0,0]=4 6308 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [0,2,0,0,0,0|2,0,0]=4 6309 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [0,2,0,0,0,0|2,0,0]=4 6310 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [0,2,0,0,0,0|2,0,0]=4 6311 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [0,2,0,0,0,0|2,0,0]=4 6312 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [0,2,0,0,0,0|2,0,0]=4 6313 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [0,2,0,0,0,0|2,0,0]=4 6314 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [0,2,0,0,0,0|2,0,0]=4 6315 B10R0.85 CC[C@H](NCSC)C(=O)NC 2230a_106657271573_100011218213 [0,2,0,0,0,0|2,0,0]=4 6316 B10R0.85 CC[C@H](NCSC)C(=O)NC 34a_106657271573_100011218213 [0,2,0,0,0,0|2,0,0]=4 6317 B10R0.85 COC(=O)C(C=O)SCSC 62a_100000046368_100011218213 [0,2,0,0,0,0|1,0,0]=3 6318 B10R0.85 COC(=O)C(C=O)SCSC 62a_100011218213_100000046368 [0,2,0,0,0,0|1,0,0]=3 6319 B10R0.85 COC(=O)C(CN)OCSC 34a_100000695228_100011218213 [0,2,0,0,0,0|1,0,0]=3 6320 B10R0.85 COC(=O)C(CO)SCSC 62a_100011218213_100012276630 [0,2,0,0,0,0|1,0,0]=3 6321 B10R0.85 COC(=O)C(CO)SCSC 62a_100012276630_100011218213 [0,2,0,0,0,0|1,0,0]=3 6322 B10R0.85 COC(=O)C(OC)OCSC 34a_100000036821_100011218213 [0,2,0,0,0,0|1,0,0]=3 6323 B10R0.85 COC(=O)C(OC)SCSC 62a_100000101307_100011218213 [0,2,0,0,0,0|1,0,0]=3 6324 B10R0.85 COC(=O)C(OC)SCSC 62a_100011218213_100000101307 [0,2,0,0,0,0|1,0,0]=3 6325 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000046368_100000766300 [0,2,0,0,0,0|1,1,0]=4 6326 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000766300_100000046368 [0,2,0,0,0,0|1,1,0]=4 6327 B10R0.85 COCSC(CO)C(=O)OC 62a_100000766300_100012276630 [0,2,0,0,0,0|1,1,0]=4 6328 B10R0.85 COCSC(CO)C(=O)OC 62a_100012276630_100000766300 [0,2,0,0,0,0|1,1,0]=4 6329 B10R0.85 COCSC(OC)C(=O)OC 62a_100000101307_100000766300 [0,2,0,0,0,0|1,1,0]=4 6330 B10R0.85 COCSC(OC)C(=O)OC 62a_100000766300_100000101307 [0,2,0,0,0,0|1,1,0]=4 6331 B10R0.124 CCCCC(C)(C)C(=O)CC 1458a_100011216040_100000210202 [0,2,0,0,0,0|2,0,0]=4 6332 B10R0.124 CCCCC(C)(C)C(=O)NC 11a_106832991635_100011216040 [0,2,0,0,0,0|2,0,0]=4 6333 B10R0.124 CCCCC(C)(C)C(=O)NC 1626a_100102657272_100011216040 [0,2,0,0,0,0|2,0,0]=4 6334 B10R0.124 CCCCC(C)(C)C(=O)NC 240690a_100102657272_100011216040 [0,2,0,0,0,0|2,0,0]=4 6335 B10R0.124 CCCCC(C)(C)C(=O)NC 527a_100102657272_100011216040 [0,2,0,0,0,0|2,0,0]=4 6336 B10R0.124 CCCCC(C)(O)C(=O)CC 1458a_100000137666_100000210202 [0,2,0,0,0,0|2,0,0]=4 6337 B10R0.124 CCCCC(C)(O)C(=O)NC 240690a_100102657272_100000137666 [0,2,0,0,0,0|2,0,0]=4 6338 B10R0.124 CCCCC(F)(F)C(=O)CC 1458a_100000100317_100000210202 [0,2,0,0,0,0|2,0,0]=4 6339 B10R0.124 CCCCC(F)(F)C(=O)NC 11a_106832991635_100000100317 [0,2,0,0,0,0|2,0,0]=4 6340 B10R0.124 CCCCC(F)(F)C(=O)NC 1626a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 6341 B10R0.124 CCCCC(F)(F)C(=O)NC 240690a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 6342 B10R0.124 CCCCC(F)(F)C(=O)NC 527a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 6343 B10R0.124 CCCOC(C)(C)C(=O)OC 34a_100011217581_100000210303 [0,2,0,0,0,0|2,0,0]=4 6344 B10R0.124 CCCOC(C)(C)C(=O)OC 7a_100011217581_100000210303 [0,2,0,0,0,0|2,0,0]=4 6345 B10R0.124 CCCOC(C)(F)C(=O)OC 34a_100000210258_200009867631 [0,2,0,0,0,0|2,0,0]=4 6346 B10R0.124 CCCOC(F)(F)C(=O)OC 34a_100000210258_100000211177 [0,2,0,0,0,0|2,0,0]=4 6347 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000210303_100000689032 [0,2,0,0,0,0|2,0,0]=4 6348 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000689032_100000210303 [0,2,0,0,0,0|2,0,0]=4 6349 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_100000210303_200009867631 [0,2,0,0,0,0|2,0,0]=4 6350 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_200009867631_100000210303 [0,2,0,0,0,0|2,0,0]=4 6351 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000210303_100000211177 [0,2,0,0,0,0|2,0,0]=4 6352 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000211177_100000210303 [0,2,0,0,0,0|2,0,0]=4 6353 B10R0.124 CCOCC(C)(C)C(=O)OC 34a_100000709632_100000210202 [0,2,0,0,0,0|2,0,0]=4 6354 B10R0.124 CCOCC(C)(C)C(=O)OC 7a_100000709632_100000210202 [0,2,0,0,0,0|2,0,0]=4 6355 B10R0.124 CCOCC(F)(F)C(=O)OC 34a_100121572206_100010295740 [0,2,0,0,0,0|2,0,0]=4 6356 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000210202_100000684552 [0,2,0,0,0,0|2,0,0]=4 6357 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000684552_100000210202 [0,2,0,0,0,0|2,0,0]=4 6358 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100000210202_100010295740 [0,2,0,0,0,0|2,0,0]=4 6359 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100010295740_100000210202 [0,2,0,0,0,0|2,0,0]=4 6360 B10R0.124 CNC(=O)C(C)(C)SCSC 62a_100000732697_100011218213 [0,2,0,0,0,0|2,0,0]=4 6361 B10R0.124 CNC(=O)C(C)(C)SCSC 62a_100011218213_100000732697 [0,2,0,0,0,0|2,0,0]=4 6362 B10R0.124 COC(=O)C(C)(C)OCSC 34a_100011217581_100011218213 [0,2,0,0,0,0|1,0,0]=3 6363 B10R0.124 COC(=O)C(C)(C)SCSC 62a_100000689032_100011218213 [0,2,0,0,0,0|1,0,0]=3 6364 B10R0.124 COC(=O)C(C)(C)SCSC 62a_100011218213_100000689032 [0,2,0,0,0,0|1,0,0]=3 6365 B10R0.124 COC(=O)C(C)(F)SCSC 62a_100011218213_200009867631 [0,2,0,0,0,0|1,0,0]=3 6366 B10R0.124 COC(=O)C(C)(F)SCSC 62a_200009867631_100011218213 [0,2,0,0,0,0|1,0,0]=3 6367 B10R0.124 COC(=O)C(F)(F)SCSC 62a_100000211177_100011218213 [0,2,0,0,0,0|1,0,0]=3 6368 B10R0.124 COC(=O)C(F)(F)SCSC 62a_100011218213_100000211177 [0,2,0,0,0,0|1,0,0]=3 6369 B10R0.124 COCSC(C)(C)C(=O)OC 62a_100000689032_100000766300 [0,2,0,0,0,0|1,1,0]=4 6370 B10R0.124 COCSC(C)(C)C(=O)OC 62a_100000766300_100000689032 [0,2,0,0,0,0|1,1,0]=4 6371 B10R0.124 COCSC(C)(F)C(=O)OC 62a_100000766300_200009867631 [0,2,0,0,0,0|1,1,0]=4 6372 B10R0.124 COCSC(C)(F)C(=O)OC 62a_200009867631_100000766300 [0,2,0,0,0,0|1,1,0]=4 6373 B10R0.124 COCSC(F)(F)C(=O)OC 62a_100000211177_100000766300 [0,2,0,0,0,0|1,1,0]=4 6374 B10R0.124 COCSC(F)(F)C(=O)OC 62a_100000766300_100000211177 [0,2,0,0,0,0|1,1,0]=4 6375 B10R0.42 CN(C)S(=O)(=O)CCCS[13CH3] 62a_100000750587_200025704644 [0,2,0,0,0,0|2,0,0]=4 6376 B10R0.42 CN(C)S(=O)(=O)CCCS[13CH3] 62a_200025704644_100000750587 [0,2,0,0,0,0|2,0,0]=4 6377 B10R0.42 CSCCCS(=O)(=O)N(C)C 62a_100000750587_200000210301 [0,2,0,0,0,0|2,0,0]=4 6378 B10R0.42 CSCCCS(=O)(=O)N(C)C 62a_200000210301_100000750587 [0,2,0,0,0,0|2,0,0]=4 6379 B10R0.62 CCS(=O)(=O)CCNCSC 2230a_100000751051_100011218213 [0,2,0,0,0,0|2,0,0]=4 6380 B10R0.62 CCS(=O)(=O)CCNCSC 34a_100000751051_100011218213 [0,2,0,0,0,0|2,0,0]=4 6381 B10R0.62 CCS(=O)(=O)CCOCSC 34a_200011216379_100011218213 [0,2,0,0,0,0|2,0,0]=4 6382 B10R0.62 CCS(=O)(=O)CCSCSC 62a_100000756660_100011218213 [0,2,0,0,0,0|2,0,0]=4 6383 B10R0.62 CCS(=O)(=O)CCSCSC 62a_100011218213_100000756660 [0,2,0,0,0,0|2,0,0]=4 6384 B10R0.62 CCS(=O)(=O)NCCCSC 270084a_100000749238_100000211323 [0,2,0,0,0,0|2,0,0]=4 6385 B10R0.62 CCS(=O)(=O)NCCCSC 274078a_100000749238_100000211323 [0,2,0,0,0,0|2,0,0]=4 6386 B10R0.62 CCS(=O)(=O)NCCCSC 40a_100000749238_100000053943 [0,2,0,0,0,0|2,0,0]=4 6387 B10R0.62 CNS(=O)(=O)CCNCSC 2230a_100000710037_100011218213 [0,2,0,0,0,0|2,0,0]=4 6388 B10R0.62 CNS(=O)(=O)CCNCSC 34a_100000710037_100011218213 [0,2,0,0,0,0|2,0,0]=4 6389 B10R0.62 COC(C)(C)CNCCSC 2230a_100000763424_100000751147 [0,2,0,0,0,0|1,0,1]=4 6390 B10R0.62 COC(C)(C)COCCSC 34a_100000230434_100000701081 [0,2,0,0,0,0|1,0,1]=4 6391 B10R0.62 COC(C)(C)CSCCSC 62a_100000212216_100000701081 [0,2,0,0,0,0|1,0,1]=4 6392 B10R0.62 COC(C)(C)CSCCSC 62a_100000701081_100000751147 [0,2,0,0,0,0|1,0,1]=4 6393 B10R0.115 CCC(C)(C)NCC(=O)OC 2230a_100000211385_100000747449 [0,2,0,0,0,0|2,0,0]=4 6394 B10R0.115 CCC(C)(C)OCC(=O)OC 7a_100000210230_100000747449 [0,2,0,0,0,0|2,0,0]=4 6395 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000032637_100000747449 [0,2,0,0,0,0|2,0,0]=4 6396 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000747449_100000032637 [0,2,0,0,0,0|2,0,0]=4 6397 B10R0.115 CNS(=O)(=O)CCC(=O)OC 270084a_100102657272_100000205946 [0,2,0,0,0,0|2,0,0]=4 6398 B10R0.115 CNS(=O)(=O)CCC(=O)OC 274078a_100102657272_100000205946 [0,2,0,0,0,0|2,0,0]=4 6399 B10R0.157 COP(=O)(COCSC)OC 34a_100000101693_100011218213 [0,2,0,0,0,0|2,0,0]=4 6400 B10R0.157 CO[Si](C)(CCCSC)OC 62a_100000031653_200000210301 [0,2,0,0,0,0|0,1,1]=4 6401 B10R0.157 CO[Si](C)(CCCSC)OC 62a_200000210301_100000031653 [0,2,0,0,0,0|0,1,1]=4 6402 B10R0.157 CO[Si](C)(CCCS[13CH3])OC 62a_100000031653_200025704644 [0,2,0,0,0,0|0,1,1]=4 6403 B10R0.157 CO[Si](C)(CCCS[13CH3])OC 62a_200025704644_100000031653 [0,2,0,0,0,0|0,1,1]=4 6404 B10R0.45 C#CC(CC)OCC(=O)OC 34a_100000758843_100000747449 [0,2,0,0,0,0|2,0,0]=4 6405 B10R0.45 C#CC(CC)OCC(=O)OC 7a_100000758843_100000747449 [0,2,0,0,0,0|2,0,0]=4 6406 B10R0.45 C=CC(CC)OCC(=O)OC 34a_100000766422_100000747449 [0,2,0,0,0,0|2,0,0]=4 6407 B10R0.45 C=CC(CC)OCC(=O)OC 7a_100000766422_100000747449 [0,2,0,0,0,0|2,0,0]=4 6408 B10R0.45 CCC(=O)CCC(OC)OC 1458a_100000210414_100000139399 [0,2,0,0,0,0|1,1,0]=4 6409 B10R0.45 CCC(=O)CCC(OC)OC 1458a_200000082759_100000210202 [0,2,0,0,0,0|1,1,0]=4 6410 B10R0.45 CCC(CC)NCC(=O)OC 2230a_100000199018_100000747449 [0,2,0,0,0,0|2,0,0]=4 6411 B10R0.45 CCC(CC)OCC(=O)OC 7a_100000688536_100000747449 [0,2,0,0,0,0|2,0,0]=4 6412 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000210505_100000747449 [0,2,0,0,0,0|2,0,0]=4 6413 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000747449_100000210505 [0,2,0,0,0,0|2,0,0]=4 6414 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000229097_100000210202 [0,2,0,0,0,0|2,0,0]=4 6415 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000724800_100000204255 [0,2,0,0,0,0|2,0,0]=4 6416 B10R0.45 CCN(CC)CCC(=O)OC 269956a_100000042499_100000204255 [0,2,0,0,0,0|2,0,0]=4 6417 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000229097_100000204670 [0,2,0,0,0,0|2,0,0]=4 6418 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000724800_100000204255 [0,2,0,0,0,0|2,0,0]=4 6419 B10R0.45 CCN(CF)CCC(=O)OC 269982a_100000229097_100015361967 [0,2,0,0,0,0|2,0,0]=4 6420 B10R0.45 CC[C@@H](CO)NCC(=O)OC 2230a_100000709445_100000747449 [0,2,0,0,0,0|2,0,0]=4 6421 B10R0.45 CNC(=O)CCC(OC)OC 11a_106832991635_200000082759 [0,2,0,0,0,0|1,1,0]=4 6422 B10R0.45 CNC(=O)CCC(OC)OC 1626a_100102657272_200000082759 [0,2,0,0,0,0|1,1,0]=4 6423 B10R0.45 CNC(=O)CCC(OC)OC 240690a_100102657272_200000082759 [0,2,0,0,0,0|1,1,0]=4 6424 B10R0.45 CNC(=O)CCC(OC)OC 527a_100102657272_200000082759 [0,2,0,0,0,0|1,1,0]=4 6425 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [0,2,0,0,0,0|1,0,1]=4 6426 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [0,2,0,0,0,0|1,0,1]=4 6427 B10R0.18 C#CCCN(C)CC(=O)OC 2230a_100000198492_100000688953 [0,2,0,0,0,0|1,0,1]=4 6428 B10R0.18 C#CCNC(C)CC(=O)OC 34a_100000212058_100009817358 [0,2,0,0,0,0|1,0,1]=4 6429 B10R0.18 C#CCOC(C)CC(=O)OC 34a_100000210247_100009817358 [0,2,0,0,0,0|1,0,1]=4 6430 B10R0.18 C#CCSC(C)CC(=O)OC 62a_100000038162_100009817358 [0,2,0,0,0,0|1,0,1]=4 6431 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,2,0,0,0,0|1,0,1]=4 6432 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,2,0,0,0,0|1,0,1]=4 6433 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,2,0,0,0,0|1,0,1]=4 6434 B10R0.18 C=CCCN(C)CC(=O)OC 2230a_100000198492_100000754431 [0,2,0,0,0,0|1,0,1]=4 6435 B10R0.18 C=CCCN(C)CC(=O)OC 2230a_100020639649_100000747449 [0,2,0,0,0,0|1,0,1]=4 6436 B10R0.18 C=CCCN(C)CC(=O)OC 269982a_100020639649_100000747449 [0,2,0,0,0,0|1,0,1]=4 6437 B10R0.18 C=CCNC(C)CC(=O)OC 2230a_100020586998_100009817358 [0,2,0,0,0,0|1,0,1]=4 6438 B10R0.18 C=CCOC(C)CC(=O)OC 34a_200000210373_100009817358 [0,2,0,0,0,0|1,0,1]=4 6439 B10R0.18 C=CCSC(C)CC(=O)OC 62a_100000210623_100009817358 [0,2,0,0,0,0|1,0,1]=4 6440 B10R0.18 C=CCSC(C)CC(=O)OC 62a_100009817358_100000210623 [0,2,0,0,0,0|1,0,1]=4 6441 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [0,2,0,0,0,0|1,0,1]=4 6442 B10R0.18 CC#CCN(C)CC(=O)OC 2230a_100000198492_100000748600 [0,2,0,0,0,0|1,0,1]=4 6443 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,2,0,0,0,0|1,0,1]=4 6444 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,2,0,0,0,0|1,0,1]=4 6445 B10R0.18 CC=CCN(C)CC(=O)OC 2230a_100000198492_100000070051 [0,2,0,0,0,0|1,0,1]=4 6446 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,1,0]=4 6447 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,0]=3 6448 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [0,2,0,0,0,0|1,1,0]=4 6449 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [0,2,0,0,0,0|1,0,0]=3 6450 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|2,0,0]=4 6451 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|2,0,0]=4 6452 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|1,0,0]=3 6453 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|1,0,0]=3 6454 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 6455 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 6456 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 6457 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 6458 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,0,0,0,0|2,0,0]=4 6459 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,0,0,0,0|2,0,0]=4 6460 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,0,0,0,0|2,0,0]=4 6461 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,0,0,0,0|2,0,0]=4 6462 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,0,0,0,0|2,0,0]=4 6463 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,0,0,0,0|2,0,0]=4 6464 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,2,0,0,0,0|2,0,0]=4 6465 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,2,0,0,0,0|2,0,0]=4 6466 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,2,0,0,0,0|2,0,0]=4 6467 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,2,0,0,0,0|2,0,0]=4 6468 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|1,0,0]=3 6469 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|1,0,0]=3 6470 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|1,0,0]=3 6471 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|1,0,1]=4 6472 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|1,0,0]=3 6473 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,2,0,0,0,0|1,0,0]=3 6474 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,2,0,0,0,0|1,0,0]=3 6475 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|0,1,1]=4 6476 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|0,1,0]=3 6477 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|1,0,1]=4 6478 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,2,0,0,0,0|1,0,1]=4 6479 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|0,0,1]=3 6480 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|0,0,1]=3 6481 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|0,0,1]=3 6482 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,2,0,0,0,0|1,0,1]=4 6483 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,2,0,0,0,0|0,0,0]=2 6484 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,2,0,0,0,0|0,0,0]=2 6485 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|1,1,0]=4 6486 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,0]=3 6487 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000189611_100011201679 [0,2,0,0,0,0|1,1,0]=4 6488 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000743101_100000183359 [0,2,0,0,0,0|1,1,0]=4 6489 B10R0.18 CNC(=O)CN(C)CCOC 240690a_100102657272_100015184299 [0,2,0,0,0,0|1,1,0]=4 6490 B10R0.18 CNC(=O)CN(C)CCOC 269982a_100000743101_100000183359 [0,2,0,0,0,0|1,1,0]=4 6491 B10R0.18 CNC(=O)CN(C)CCOC 527a_100102657272_100015184299 [0,2,0,0,0,0|1,1,0]=4 6492 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000189611_100000751147 [0,2,0,0,0,0|1,0,0]=3 6493 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000686725_100000183359 [0,2,0,0,0,0|1,0,0]=3 6494 B10R0.18 CNC(=O)CN(C)CCSC 269982a_100000686725_100000183359 [0,2,0,0,0,0|1,0,0]=3 6495 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [0,2,0,0,0,0|2,0,0]=4 6496 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [0,2,0,0,0,0|2,0,0]=4 6497 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|1,0,1]=4 6498 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|1,0,1]=4 6499 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|0,0,0]=2 6500 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|0,0,0]=2 6501 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [0,2,0,0,0,0|0,0,1]=3 6502 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [0,2,0,0,0,0|0,0,1]=3 6503 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [0,2,0,0,0,0|2,0,0]=4 6504 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,2,0,0,0,0|2,0,0]=4 6505 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,2,0,0,0,0|2,0,0]=4 6506 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 6507 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,2,0,0,0,0|2,0,0]=4 6508 B10R0.18 COC(=O)CC(C)SCC#N 62a_100009817358_100011215382 [0,2,0,0,0,0|2,0,0]=4 6509 B10R0.18 COC(=O)CC(C)SCC#N 62a_100011215382_100009817358 [0,2,0,0,0,0|2,0,0]=4 6510 B10R0.18 COC(=O)CC(C)SCC=O 62a_100009817358_200015260668 [0,2,0,0,0,0|2,0,0]=4 6511 B10R0.18 COC(=O)CC(C)SCC=O 62a_200015260668_100009817358 [0,2,0,0,0,0|2,0,0]=4 6512 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [0,2,0,0,0,0|2,0,0]=4 6513 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [0,2,0,0,0,0|2,0,0]=4 6514 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 6515 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,2,0,0,0,0|2,0,0]=4 6516 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [0,2,0,0,0,0|0,0,0]=2 6517 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [0,2,0,0,0,0|0,0,0]=2 6518 B10R0.18 COC(=O)CN(C)CCC#N 2230a_100000184479_100000747449 [0,2,0,0,0,0|2,0,0]=4 6519 B10R0.18 COC(=O)CN(C)CCC#N 2230a_100000198492_100011215226 [0,2,0,0,0,0|2,0,0]=4 6520 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,2,0,0,0,0|2,0,0]=4 6521 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,2,0,0,0,0|2,0,0]=4 6522 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 6523 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 6524 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,2,0,0,0,0|0,0,0]=2 6525 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,2,0,0,0,0|0,0,0]=2 6526 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,2,0,0,0,0|0,0,0]=2 6527 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [0,2,0,0,0,0|0,0,0]=2 6528 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [0,2,0,0,0,0|0,0,0]=2 6529 B10R0.18 COC(=O)NC(=O)CSCF 62a_100015361967_100000010850 [0,2,0,0,0,0|1,0,1]=4 6530 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|0,1,0]=3 6531 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|0,1,0]=3 6532 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,2,0,0,0,0|0,1,0]=3 6533 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,2,0,0,0,0|0,1,0]=3 6534 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,2,0,0,0,0|0,1,0]=3 6535 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [0,2,0,0,0,0|0,1,0]=3 6536 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [0,2,0,0,0,0|0,1,0]=3 6537 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|2,0,0]=4 6538 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,2,0,0,0,0|2,0,0]=4 6539 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,2,0,0,0,0|2,0,0]=4 6540 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,2,0,0,0,0|2,0,0]=4 6541 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,2,0,0,0,0|2,0,0]=4 6542 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,2,0,0,0,0|2,0,0]=4 6543 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,2,0,0,0,0|2,0,0]=4 6544 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,2,0,0,0,0|2,0,0]=4 6545 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|2,0,0]=4 6546 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|2,0,0]=4 6547 B10R0.26 CSCC(=O)CC(=O)C(=O)C 1458a_100000184570_100011261029 [0,2,0,0,0,0|1,0,1]=4 6548 B10R0.26 CSCC(=O)CC(=O)C(C)C 1458a_100000184570_100000753385 [0,2,0,0,0,0|1,0,1]=4 6549 B10R0.26 CSCC(=O)CC(=O)N(C)C 1458a_100000184570_100000185267 [0,2,0,0,0,0|1,0,1]=4 6550 B10R0.26 CSCN(C)CC(=O)N(C)C 2230a_100000185065_100011218213 [0,2,0,0,0,0|2,0,0]=4 6551 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [0,2,0,0,0,0|1,0,0]=3 6552 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [0,2,0,0,0,0|1,0,0]=3 6553 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [0,2,0,0,0,0|2,0,0]=4 6554 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [0,2,0,0,0,0|2,0,0]=4 6555 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [0,2,0,0,0,0|2,0,0]=4 6556 B10R0.29 CCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210202 [0,2,0,0,0,0|2,0,0]=4 6557 B10R0.29 COC(=O)/C=C(\CSC)/OC 62a_100016998490_200000210301 [0,2,0,0,0,0|0,0,2]=4 6558 B10R0.29 COC(=O)/C=C(\CSC)/OC 62a_200000210301_100016998490 [0,2,0,0,0,0|0,0,2]=4 6559 B10R0.29 COC(=O)/C=C(\CS[13CH3])/OC 62a_100016998490_200025704644 [0,2,0,0,0,0|0,0,2]=4 6560 B10R0.29 COC(=O)/C=C(\CS[13CH3])/OC 62a_200025704644_100016998490 [0,2,0,0,0,0|0,0,2]=4 6561 B10R0.148 CCC(=O)NC(C)(C)CSC 11a_100000759623_100000210414 [0,2,0,0,0,0|2,0,0]=4 6562 B10R0.148 CCC(=O)NC(C)(C)CSC 1626a_100000759623_100000210414 [0,2,0,0,0,0|2,0,0]=4 6563 B10R0.148 CCC(=O)NC(C)(C)CSC 240690a_100000759623_100000210414 [0,2,0,0,0,0|2,0,0]=4 6564 B10R0.148 CCC(=O)NC(C)(C)CSC 527a_100000759623_100000210414 [0,2,0,0,0,0|2,0,0]=4 6565 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [0,2,0,0,0,0|2,0,0]=4 6566 B10R0.148 CCCC(C)(O)CC(=O)NC 240690a_100102657272_100011667670 [0,2,0,0,0,0|2,0,0]=4 6567 B10R0.148 CCCC(C)(O)CC(=O)NC 527a_100102657272_100011667670 [0,2,0,0,0,0|2,0,0]=4 6568 B10R0.148 CCOC(C)(C)CC(=O)OC 7a_100015205050_100000210202 [0,2,0,0,0,0|2,0,0]=4 6569 B10R0.148 CNC(=O)NC(C)(C)CSC 2708a_100102657272_100000759623 [0,2,0,0,0,0|2,0,0]=4 6570 B10R0.148 CNC(=O)NC(C)(C)CSC 273464a_100000759623_100102657272 [0,2,0,0,0,0|2,0,0]=4 6571 B10R0.148 CNC(=O)NC(C)(C)CSC 273464a_100102657272_100000759623 [0,2,0,0,0,0|2,0,0]=4 6572 B10R0.148 CNC(=O)NC(C)(C)CSC 512a_100000759623_100102657272 [0,2,0,0,0,0|2,0,0]=4 6573 B10R0.148 CNC(=O)NC(C)(C)CSC 512a_106832991638_100000759623 [0,2,0,0,0,0|2,0,0]=4 6574 B10R0.41 CCC(COCCSC)OC 34a_100011934954_100000212216 [0,2,0,0,0,0|1,0,1]=4 6575 B10R0.41 CCC(COCCSC)OC 7a_100011934954_100000212216 [0,2,0,0,0,0|1,0,1]=4 6576 B10R0.41 CCSCCCC(OC)OC 62a_100000069011_100000210202 [0,2,0,0,0,0|0,0,2]=4 6577 B10R0.41 CCSCCCC(OC)OC 62a_100000210202_100000069011 [0,2,0,0,0,0|0,0,2]=4 6578 B10R0.41 COC(CCCSCF)OC 62a_100000069011_100015361967 [0,2,0,0,0,0|0,0,2]=4 6579 B10R0.41 COC(CCCSCF)OC 62a_100015361967_100000069011 [0,2,0,0,0,0|0,0,2]=4 6580 B10R0.41 COC(CCSCSC)OC 62a_100000139399_100011218213 [0,2,0,0,0,0|0,0,2]=4 6581 B10R0.41 COC(CCSCSC)OC 62a_100011218213_100000139399 [0,2,0,0,0,0|0,0,2]=4 6582 B10R0.41 COC(CNCCSC)OC 2230a_100020590264_100000751394 [0,2,0,0,0,0|0,0,2]=4 6583 B10R0.41 COC(CNCCSC)OC 270004a_100020590264_100000752162 [0,2,0,0,0,0|0,0,2]=4 6584 B10R0.41 COC(COCCSC)OC 34a_100000230434_100000211822 [0,2,0,0,0,0|0,0,2]=4 6585 B10R0.41 COC(COCCSC)OC 34a_100011216393_100000212216 [0,2,0,0,0,0|0,0,2]=4 6586 B10R0.41 COC(COCCSC)OC 7a_100000230434_100000751394 [0,2,0,0,0,0|0,0,2]=4 6587 B10R0.41 COC(CSCCSC)OC 62a_100000212216_100000751394 [0,2,0,0,0,0|0,0,2]=4 6588 B10R0.41 COC(CSCCSC)OC 62a_100000751394_100000751147 [0,2,0,0,0,0|0,0,2]=4 6589 B10R0.55 C#CC(=O)CCCSC(=O)C 1458a_100000211873_100000038929 [0,2,0,0,0,0|1,0,1]=4 6590 B10R0.55 C=C(Br)CCOCC(=O)OC 34a_100009813270_100000747449 [0,2,0,0,0,0|1,0,1]=4 6591 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [0,2,0,0,0,0|2,0,0]=4 6592 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,2,0,0,0,0|2,0,0]=4 6593 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,2,0,0,0,0|2,0,0]=4 6594 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,2,0,0,0,0|2,0,0]=4 6595 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,2,0,0,0,0|1,0,0]=3 6596 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,2,0,0,0,0|2,0,0]=4 6597 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,2,0,0,0,0|2,0,0]=4 6598 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,2,0,0,0,0|2,0,0]=4 6599 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,2,0,0,0,0|2,0,0]=4 6600 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,2,0,0,0,0|1,0,0]=3 6601 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,2,0,0,0,0|1,0,0]=3 6602 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [0,2,0,0,0,0|2,0,0]=4 6603 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [0,2,0,0,0,0|2,0,0]=4 6604 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [0,2,0,0,0,0|2,0,0]=4 6605 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [0,2,0,0,0,0|2,0,0]=4 6606 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,2,0,0,0,0|1,0,0]=3 6607 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [0,2,0,0,0,0|2,0,0]=4 6608 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [0,2,0,0,0,0|2,0,0]=4 6609 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,2,0,0,0,0|1,0,0]=3 6610 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,2,0,0,0,0|1,0,0]=3 6611 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [0,2,0,0,0,0|2,0,0]=4 6612 B10R0.55 C=C(F)COCCC(=O)OC 34a_200010262243_100000742370 [0,2,0,0,0,0|1,0,1]=4 6613 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000042424_100000204255 [0,2,0,0,0,0|1,0,1]=4 6614 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000204255_100000042424 [0,2,0,0,0,0|1,0,1]=4 6615 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,2,0,0,0,0|1,0,1]=4 6616 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,2,0,0,0,0|2,0,0]=4 6617 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|2,0,0]=4 6618 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|2,0,0]=4 6619 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|2,0,0]=4 6620 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|2,0,0]=4 6621 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|1,1,0]=4 6622 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,2,0,0,0,0|1,1,0]=4 6623 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|1,0,0]=3 6624 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,2,0,0,0,0|2,0,0]=4 6625 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|2,0,0]=4 6626 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|2,0,0]=4 6627 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|2,0,0]=4 6628 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,2,0,0,0,0|2,0,0]=4 6629 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,2,0,0,0,0|2,0,0]=4 6630 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|2,0,0]=4 6631 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|2,0,0]=4 6632 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|2,0,0]=4 6633 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|2,0,0]=4 6634 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,2,0,0,0,0|2,0,0]=4 6635 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 6636 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 6637 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 6638 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 6639 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,2,0,0,0,0|2,0,0]=4 6640 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,2,0,0,0,0|2,0,0]=4 6641 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 6642 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 6643 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,2,0,0,0,0|1,0,1]=4 6644 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,2,0,0,0,0|2,0,0]=4 6645 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,2,0,0,0,0|2,0,0]=4 6646 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,2,0,0,0,0|2,0,0]=4 6647 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 6648 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 6649 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 6650 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 6651 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|2,0,0]=4 6652 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 6653 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 6654 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|2,0,0]=4 6655 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,2,0,0,0,0|2,0,0]=4 6656 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,2,0,0,0,0|2,0,0]=4 6657 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,2,0,0,0,0|2,0,0]=4 6658 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,2,0,0,0,0|2,0,0]=4 6659 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,2,0,0,0,0|2,0,0]=4 6660 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,2,0,0,0,0|2,0,0]=4 6661 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,2,0,0,0,0|2,0,0]=4 6662 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,2,0,0,0,0|2,0,0]=4 6663 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,2,0,0,0,0|2,0,0]=4 6664 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,2,0,0,0,0|2,0,0]=4 6665 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,2,0,0,0,0|2,0,0]=4 6666 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,2,0,0,0,0|2,0,0]=4 6667 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,2,0,0,0,0|2,0,0]=4 6668 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,2,0,0,0,0|2,0,0]=4 6669 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,2,0,0,0,0|1,1,0]=4 6670 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,2,0,0,0,0|1,0,0]=3 6671 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,2,0,0,0,0|1,0,0]=3 6672 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,2,0,0,0,0|2,0,0]=4 6673 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,2,0,0,0,0|2,0,0]=4 6674 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,2,0,0,0,0|2,0,0]=4 6675 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,2,0,0,0,0|2,0,0]=4 6676 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,2,0,0,0,0|2,0,0]=4 6677 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,2,0,0,0,0|2,0,0]=4 6678 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,2,0,0,0,0|2,0,0]=4 6679 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,2,0,0,0,0|2,0,0]=4 6680 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,2,0,0,0,0|2,0,0]=4 6681 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,2,0,0,0,0|2,0,0]=4 6682 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,2,0,0,0,0|2,0,0]=4 6683 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,2,0,0,0,0|2,0,0]=4 6684 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,2,0,0,0,0|2,0,0]=4 6685 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,2,0,0,0,0|2,0,0]=4 6686 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,2,0,0,0,0|2,0,0]=4 6687 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,2,0,0,0,0|2,0,0]=4 6688 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,2,0,0,0,0|2,0,0]=4 6689 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,2,0,0,0,0|2,0,0]=4 6690 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,2,0,0,0,0|2,0,0]=4 6691 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,2,0,0,0,0|2,0,0]=4 6692 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,2,0,0,0,0|2,0,0]=4 6693 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,2,0,0,0,0|2,0,0]=4 6694 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,2,0,0,0,0|2,0,0]=4 6695 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,2,0,0,0,0|2,0,0]=4 6696 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,2,0,0,0,0|2,0,0]=4 6697 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,2,0,0,0,0|2,0,0]=4 6698 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,2,0,0,0,0|2,0,0]=4 6699 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,2,0,0,0,0|2,0,0]=4 6700 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,2,0,0,0,0|2,0,0]=4 6701 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,2,0,0,0,0|2,0,0]=4 6702 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,2,0,0,0,0|2,0,0]=4 6703 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,2,0,0,0,0|2,0,0]=4 6704 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,2,0,0,0,0|2,0,0]=4 6705 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,2,0,0,0,0|2,0,0]=4 6706 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,2,0,0,0,0|2,0,0]=4 6707 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,2,0,0,0,0|2,0,0]=4 6708 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,2,0,0,0,0|2,0,0]=4 6709 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 6710 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,2,0,0,0,0|2,0,0]=4 6711 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,2,0,0,0,0|2,0,0]=4 6712 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,2,0,0,0,0|2,0,0]=4 6713 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,2,0,0,0,0|2,0,0]=4 6714 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,2,0,0,0,0|2,0,0]=4 6715 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,2,0,0,0,0|2,0,0]=4 6716 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,2,0,0,0,0|2,0,0]=4 6717 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,2,0,0,0,0|2,0,0]=4 6718 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,2,0,0,0,0|2,0,0]=4 6719 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,2,0,0,0,0|2,0,0]=4 6720 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,2,0,0,0,0|2,0,0]=4 6721 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,2,0,0,0,0|2,0,0]=4 6722 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,2,0,0,0,0|2,0,0]=4 6723 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 6724 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 6725 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 6726 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 6727 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,2,0,0,0,0|2,0,0]=4 6728 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [0,2,0,0,0,0|1,0,1]=4 6729 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [0,2,0,0,0,0|1,0,1]=4 6730 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [0,2,0,0,0,0|1,0,1]=4 6731 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [0,2,0,0,0,0|1,0,1]=4 6732 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [0,2,0,0,0,0|1,0,1]=4 6733 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [0,2,0,0,0,0|1,0,1]=4 6734 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [0,2,0,0,0,0|2,0,0]=4 6735 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [0,2,0,0,0,0|2,0,0]=4 6736 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [0,2,0,0,0,0|2,0,0]=4 6737 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [0,2,0,0,0,0|2,0,0]=4 6738 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [0,2,0,0,0,0|2,0,0]=4 6739 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [0,2,0,0,0,0|2,0,0]=4 6740 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100000731138_106832991635 [0,2,0,0,0,0|2,0,0]=4 6741 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100102657272_100000731138 [0,2,0,0,0,0|2,0,0]=4 6742 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100000731138_100102657272 [0,2,0,0,0,0|2,0,0]=4 6743 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100102657272_100000731138 [0,2,0,0,0,0|2,0,0]=4 6744 B10R0.55 CNC(=O)NCCSC(C)C 512a_100000731138_100102657272 [0,2,0,0,0,0|2,0,0]=4 6745 B10R0.55 CNC(=O)NCCSC(C)C 512a_106832991638_100000731138 [0,2,0,0,0,0|2,0,0]=4 6746 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,2,0,0,0,0|2,0,0]=4 6747 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,2,0,0,0,0|2,0,0]=4 6748 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,2,0,0,0,0|0,0,2]=4 6749 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,2,0,0,0,0|0,0,2]=4 6750 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|1,0,0]=3 6751 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|1,0,0]=3 6752 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|1,0,0]=3 6753 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|1,0,0]=3 6754 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|1,0,0]=3 6755 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,2,0,0,0,0|1,0,0]=3 6756 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,2,0,0,0,0|1,0,0]=3 6757 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,2,0,0,0,0|1,0,0]=3 6758 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,2,0,0,0,0|0,1,0]=3 6759 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,2,0,0,0,0|0,0,0]=2 6760 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,2,0,0,0,0|0,0,0]=2 6761 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [0,2,0,0,0,0|2,0,0]=4 6762 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,2,0,0,0,0|2,0,0]=4 6763 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,2,0,0,0,0|1,0,0]=3 6764 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,2,0,0,0,0|1,0,0]=3 6765 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|1,0,0]=3 6766 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,0]=3 6767 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,2,0,0,0,0|2,0,0]=4 6768 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,2,0,0,0,0|1,0,0]=3 6769 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,2,0,0,0,0|1,0,0]=3 6770 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,2,0,0,0,0|1,0,0]=3 6771 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,2,0,0,0,0|1,0,0]=3 6772 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,2,0,0,0,0|2,0,0]=4 6773 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,2,0,0,0,0|1,0,0]=3 6774 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,2,0,0,0,0|1,0,0]=3 6775 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [0,2,0,0,0,0|2,0,0]=4 6776 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [0,2,0,0,0,0|2,0,0]=4 6777 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [0,2,0,0,0,0|2,0,0]=4 6778 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [0,2,0,0,0,0|2,0,0]=4 6779 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,2,0,0,0,0|1,0,0]=3 6780 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,2,0,0,0,0|1,0,0]=3 6781 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|1,0,0]=3 6782 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|1,0,0]=3 6783 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,2,0,0,0,0|2,0,0]=4 6784 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,2,0,0,0,0|2,0,0]=4 6785 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|1,0,0]=3 6786 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|1,0,0]=3 6787 B10R0.55 COC(=O)CCSC[N+](=O)[O-] 62a_100000204255_100000761209 [0,2,0,0,0,0|2,0,0]=4 6788 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,2,0,0,0,0|1,0,1]=4 6789 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|1,0,0]=3 6790 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,2,0,0,0,0|1,0,1]=4 6791 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,2,0,0,0,0|1,0,0]=3 6792 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,2,0,0,0,0|1,0,0]=3 6793 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,2,0,0,0,0|1,0,0]=3 6794 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [0,2,0,0,0,0|2,0,0]=4 6795 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [0,2,0,0,0,0|2,0,0]=4 6796 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|1,0,0]=3 6797 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|1,0,0]=3 6798 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|1,0,0]=3 6799 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,2,0,0,0,0|2,0,0]=4 6800 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,2,0,0,0,0|1,0,0]=3 6801 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,0]=3 6802 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,2,0,0,0,0|1,0,1]=4 6803 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,2,0,0,0,0|1,0,1]=4 6804 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,2,0,0,0,0|1,0,0]=3 6805 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,2,0,0,0,0|1,0,0]=3 6806 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [0,2,0,0,0,0|2,0,0]=4 6807 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [0,2,0,0,0,0|2,0,0]=4 6808 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|1,0,0]=3 6809 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|1,0,0]=3 6810 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|1,0,0]=3 6811 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|1,0,0]=3 6812 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,2,0,0,0,0|1,0,0]=3 6813 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,2,0,0,0,0|1,1,0]=4 6814 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,2,0,0,0,0|1,1,0]=4 6815 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,2,0,0,0,0|1,1,0]=4 6816 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,2,0,0,0,0|1,1,0]=4 6817 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,2,0,0,0,0|1,0,0]=3 6818 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,2,0,0,0,0|1,0,0]=3 6819 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,2,0,0,0,0|1,1,0]=4 6820 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,2,0,0,0,0|1,1,0]=4 6821 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,2,0,0,0,0|2,0,0]=4 6822 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,2,0,0,0,0|2,0,0]=4 6823 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,2,0,0,0,0|2,0,0]=4 6824 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|2,0,0]=4 6825 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|2,0,0]=4 6826 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,2,0,0,0,0|2,0,0]=4 6827 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,2,0,0,0,0|2,0,0]=4 6828 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,2,0,0,0,0|2,0,0]=4 6829 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,2,0,0,0,0|2,0,0]=4 6830 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,2,0,0,0,0|1,0,1]=4 6831 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 6832 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|1,0,1]=4 6833 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,2,0,0,0,0|1,0,1]=4 6834 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,2,0,0,0,0|1,0,1]=4 6835 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,2,0,0,0,0|1,0,1]=4 6836 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,2,0,0,0,0|1,0,1]=4 6837 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,2,0,0,0,0|1,0,1]=4 6838 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,2,0,0,0,0|1,0,1]=4 6839 B10R0.74 C#CCCSCOC(=O)OC 62a_100000688953_100000139417 [0,2,0,0,0,0|1,0,1]=4 6840 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,2,0,0,0,0|2,0,0]=4 6841 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,2,0,0,0,0|2,0,0]=4 6842 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,2,0,0,0,0|2,0,0]=4 6843 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,2,0,0,0,0|1,0,0]=3 6844 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,2,0,0,0,0|1,1,0]=4 6845 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,2,0,0,0,0|0,1,0]=3 6846 B10R0.74 C#CCOCCNC(=O)OC 34a_100000757965_100000184674 [0,2,0,0,0,0|1,0,1]=4 6847 B10R0.74 C#CCOCCOC(=O)OC 34a_100010262106_100000184674 [0,2,0,0,0,0|1,0,1]=4 6848 B10R0.74 C#CCSC/C=C/C(=O)OC 62a_100000038162_100000742655 [0,2,0,0,0,0|0,0,2]=4 6849 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,2,0,0,0,0|1,0,0]=3 6850 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,2,0,0,0,0|0,0,0]=2 6851 B10R0.74 C#CCSCCOC(=O)NC 62a_100000038162_200011997002 [0,2,0,0,0,0|2,0,0]=4 6852 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,2,0,0,0,0|2,0,0]=4 6853 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|1,0,0]=3 6854 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,2,0,0,0,0|2,0,0]=4 6855 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,2,0,0,0,0|2,0,0]=4 6856 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,2,0,0,0,0|2,0,0]=4 6857 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,2,0,0,0,0|1,0,0]=3 6858 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,2,0,0,0,0|2,0,0]=4 6859 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,2,0,0,0,0|2,0,0]=4 6860 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,2,0,0,0,0|1,0,0]=3 6861 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,2,0,0,0,0|1,0,0]=3 6862 B10R0.74 C/C=C/CSCOC(=O)OC 62a_100102629194_100000139417 [0,2,0,0,0,0|1,0,1]=4 6863 B10R0.74 C=CC(=O)NCCNCSC 2230a_114873766552_100011218213 [0,2,0,0,0,0|1,0,1]=4 6864 B10R0.74 C=CC(=O)NCCOCSC 34a_100011304386_100011218213 [0,2,0,0,0,0|1,0,1]=4 6865 B10R0.74 C=CC(=O)OCCSCSC 62a_100009813456_100011218213 [0,2,0,0,0,0|1,0,1]=4 6866 B10R0.74 C=CC(=O)OCCSCSC 62a_100011218213_100009813456 [0,2,0,0,0,0|1,0,1]=4 6867 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|2,0,0]=4 6868 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|2,0,0]=4 6869 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|2,0,0]=4 6870 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|2,0,0]=4 6871 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|2,0,0]=4 6872 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|2,0,0]=4 6873 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,2,0,0,0,0|1,0,1]=4 6874 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,2,0,0,0,0|1,0,1]=4 6875 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 6876 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|1,0,1]=4 6877 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,2,0,0,0,0|1,0,1]=4 6878 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,2,0,0,0,0|1,0,1]=4 6879 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,2,0,0,0,0|1,0,1]=4 6880 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,2,0,0,0,0|1,0,1]=4 6881 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,2,0,0,0,0|1,0,1]=4 6882 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,2,0,0,0,0|1,0,1]=4 6883 B10R0.74 C=CCCSCOC(=O)OC 62a_100000754431_100000139417 [0,2,0,0,0,0|1,0,1]=4 6884 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,2,0,0,0,0|2,0,0]=4 6885 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,2,0,0,0,0|2,0,0]=4 6886 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,2,0,0,0,0|2,0,0]=4 6887 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,2,0,0,0,0|1,0,0]=3 6888 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,2,0,0,0,0|1,1,0]=4 6889 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,2,0,0,0,0|0,1,0]=3 6890 B10R0.74 C=CCOCCNC(=O)OC 34a_100000757965_100015514636 [0,2,0,0,0,0|1,0,1]=4 6891 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,2,0,0,0,0|1,0,1]=4 6892 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,2,0,0,0,0|0,0,2]=4 6893 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [0,2,0,0,0,0|0,0,2]=4 6894 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,2,0,0,0,0|1,0,0]=3 6895 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,2,0,0,0,0|1,0,0]=3 6896 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,2,0,0,0,0|0,0,0]=2 6897 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,2,0,0,0,0|0,0,0]=2 6898 B10R0.74 C=CCSCCOC(=O)NC 62a_100000210623_200011997002 [0,2,0,0,0,0|2,0,0]=4 6899 B10R0.74 C=CCSCCOC(=O)NC 62a_200011997002_100000210623 [0,2,0,0,0,0|2,0,0]=4 6900 B10R0.74 C=COCCOCC(=O)OC 34a_100000033082_100000747449 [0,2,0,0,0,0|0,1,1]=4 6901 B10R0.74 C=COCCSCC(=O)OC 62a_100000039644_100000747449 [0,2,0,0,0,0|0,1,1]=4 6902 B10R0.74 C=COCCSCC(=O)OC 62a_100000747449_100000039644 [0,2,0,0,0,0|0,1,1]=4 6903 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,2,0,0,0,0|2,0,0]=4 6904 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,2,0,0,0,0|1,0,0]=3 6905 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000685387_100000737683 [0,2,0,0,0,0|2,0,0]=4 6906 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000738227_100000748600 [0,2,0,0,0,0|2,0,0]=4 6907 B10R0.74 CC#CCNCCC(=O)NC 34a_100000685387_100012179268 [0,2,0,0,0,0|2,0,0]=4 6908 B10R0.74 CC#CCNCCC(=O)NC 34a_100000738227_100000748600 [0,2,0,0,0,0|2,0,0]=4 6909 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,2,0,0,0,0|1,0,0]=3 6910 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,2,0,0,0,0|1,0,0]=3 6911 B10R0.74 CC#CCOCCC(=O)NC 34a_100000754576_100000748600 [0,2,0,0,0,0|2,0,0]=4 6912 B10R0.74 CC#CCOCCC(=O)NC 34a_100000761923_100012179268 [0,2,0,0,0,0|2,0,0]=4 6913 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,2,0,0,0,0|1,0,0]=3 6914 B10R0.74 CC#CCSCCC(=O)NC 62a_100000737683_100000748600 [0,2,0,0,0,0|2,0,0]=4 6915 B10R0.74 CC#CCSCCC(=O)NC 62a_100000748600_100000737683 [0,2,0,0,0,0|2,0,0]=4 6916 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,2,0,0,0,0|1,0,0]=3 6917 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,2,0,0,0,0|1,0,0]=3 6918 B10R0.74 CC#CCSCOC(=O)OC 62a_100000748600_100000139417 [0,2,0,0,0,0|1,0,1]=4 6919 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,2,0,0,0,0|1,0,1]=4 6920 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,2,0,0,0,0|1,0,1]=4 6921 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,2,0,0,0,0|1,0,1]=4 6922 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,2,0,0,0,0|2,0,0]=4 6923 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,2,0,0,0,0|2,0,0]=4 6924 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,2,0,0,0,0|2,0,0]=4 6925 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,2,0,0,0,0|2,0,0]=4 6926 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,2,0,0,0,0|2,0,0]=4 6927 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,2,0,0,0,0|1,0,0]=3 6928 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,2,0,0,0,0|1,0,0]=3 6929 B10R0.74 CC=CCSCOC(=O)OC 62a_100000070051_100000139417 [0,2,0,0,0,0|1,0,1]=4 6930 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,2,0,0,0,0|1,0,1]=4 6931 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,2,0,0,0,0|1,0,1]=4 6932 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,2,0,0,0,0|1,0,1]=4 6933 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|2,0,0]=4 6934 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|2,0,0]=4 6935 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|2,0,0]=4 6936 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|2,0,0]=4 6937 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|1,1,0]=4 6938 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|1,1,0]=4 6939 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|1,1,0]=4 6940 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 6941 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|2,0,0]=4 6942 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|2,0,0]=4 6943 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|2,0,0]=4 6944 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|1,1,0]=4 6945 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|1,0,0]=3 6946 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|2,0,0]=4 6947 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|2,0,0]=4 6948 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 6949 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|2,0,0]=4 6950 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|1,1,0]=4 6951 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|1,1,0]=4 6952 B10R0.74 CCC(=O)CSCCSC#N 62a_100000034367_100000747405 [0,2,0,0,0,0|1,0,1]=4 6953 B10R0.74 CCC(=O)CSCCSC#N 62a_100000747405_100000034367 [0,2,0,0,0,0|1,0,1]=4 6954 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|2,0,0]=4 6955 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,2,0,0,0,0|1,0,0]=3 6956 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,2,0,0,0,0|1,0,0]=3 6957 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,2,0,0,0,0|2,0,0]=4 6958 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,2,0,0,0,0|2,0,0]=4 6959 B10R0.74 CCC(=O)NN=CCCSC 4a_100000183195_100000210997 [0,2,0,0,0,0|1,0,1]=4 6960 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,2,0,0,0,0|1,1,0]=4 6961 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|2,0,0]=4 6962 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|2,0,0]=4 6963 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|2,0,0]=4 6964 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|2,0,0]=4 6965 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|2,0,0]=4 6966 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|2,0,0]=4 6967 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|2,0,0]=4 6968 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|2,0,0]=4 6969 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|2,0,0]=4 6970 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|2,0,0]=4 6971 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|2,0,0]=4 6972 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|2,0,0]=4 6973 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|2,0,0]=4 6974 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|2,0,0]=4 6975 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 6976 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 6977 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|2,0,0]=4 6978 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 6979 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 6980 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 6981 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|2,0,0]=4 6982 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|2,0,0]=4 6983 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|2,0,0]=4 6984 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|2,0,0]=4 6985 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|2,0,0]=4 6986 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|2,0,0]=4 6987 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|2,0,0]=4 6988 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|2,0,0]=4 6989 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|2,0,0]=4 6990 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|1,0,0]=3 6991 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|2,0,0]=4 6992 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|2,0,0]=4 6993 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|2,0,0]=4 6994 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|2,0,0]=4 6995 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|2,0,0]=4 6996 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|2,0,0]=4 6997 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|2,0,0]=4 6998 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|2,0,0]=4 6999 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|2,0,0]=4 7000 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 7001 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 7002 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|2,0,0]=4 7003 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|2,0,0]=4 7004 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|2,0,0]=4 7005 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|2,0,0]=4 7006 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|1,0,0]=3 7007 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|1,0,0]=3 7008 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|2,0,0]=4 7009 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|2,0,0]=4 7010 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|2,0,0]=4 7011 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|2,0,0]=4 7012 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|1,0,0]=3 7013 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|1,0,0]=3 7014 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,2,0,0,0,0|1,0,1]=4 7015 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|2,0,0]=4 7016 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|2,0,0]=4 7017 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|2,0,0]=4 7018 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|2,0,0]=4 7019 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|1,0,0]=3 7020 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|1,0,0]=3 7021 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|2,0,0]=4 7022 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|2,0,0]=4 7023 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|1,0,0]=3 7024 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|1,0,0]=3 7025 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|1,0,0]=3 7026 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|2,0,0]=4 7027 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|2,0,0]=4 7028 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|2,0,0]=4 7029 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|2,0,0]=4 7030 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,2,0,0,0,0|1,0,1]=4 7031 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,2,0,0,0,0|1,0,1]=4 7032 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|1,1,0]=4 7033 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|0,1,0]=3 7034 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 7035 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 7036 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 7037 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 7038 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 7039 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 7040 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|2,0,0]=4 7041 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 7042 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 7043 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 7044 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|2,0,0]=4 7045 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|1,0,0]=3 7046 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|2,0,0]=4 7047 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|2,0,0]=4 7048 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|1,0,0]=3 7049 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,2,0,0,0,0|0,0,2]=4 7050 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,2,0,0,0,0|0,0,2]=4 7051 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|1,0,0]=3 7052 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|1,0,0]=3 7053 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|0,0,0]=2 7054 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|0,0,0]=2 7055 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 7056 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 7057 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 7058 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|2,0,0]=4 7059 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 7060 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 7061 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 7062 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 7063 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|2,0,0]=4 7064 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|2,0,0]=4 7065 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|2,0,0]=4 7066 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|1,0,0]=3 7067 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|1,0,0]=3 7068 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,2,0,0,0,0|1,0,1]=4 7069 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|0,1,0]=3 7070 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|0,1,0]=3 7071 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|0,1,0]=3 7072 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|1,1,0]=4 7073 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|1,1,0]=4 7074 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|1,1,0]=4 7075 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|1,1,0]=4 7076 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|1,1,0]=4 7077 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|1,1,0]=4 7078 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|1,1,0]=4 7079 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|1,1,0]=4 7080 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|1,1,0]=4 7081 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|1,1,0]=4 7082 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,2,0,0,0,0|1,1,0]=4 7083 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,2,0,0,0,0|1,1,0]=4 7084 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,2,0,0,0,0|1,1,0]=4 7085 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|0,1,0]=3 7086 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|0,1,0]=3 7087 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|1,1,0]=4 7088 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|1,1,0]=4 7089 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|1,1,0]=4 7090 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|1,1,0]=4 7091 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|1,1,0]=4 7092 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|0,1,0]=3 7093 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|0,1,0]=3 7094 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|0,1,0]=3 7095 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|1,1,0]=4 7096 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|1,1,0]=4 7097 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,2,0,0,0,0|1,1,0]=4 7098 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,2,0,0,0,0|1,1,0]=4 7099 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|0,1,0]=3 7100 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|0,1,0]=3 7101 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,2,0,0,0,0|1,1,0]=4 7102 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,2,0,0,0,0|1,1,0]=4 7103 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|0,1,0]=3 7104 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|0,1,0]=3 7105 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,2,0,0,0,0|1,1,0]=4 7106 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|0,0,0]=2 7107 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|0,0,0]=2 7108 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|1,0,0]=3 7109 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|1,0,0]=3 7110 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|0,0,0]=2 7111 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,2,0,0,0,0|1,0,1]=4 7112 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|1,0,0]=3 7113 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|1,0,0]=3 7114 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|1,0,0]=3 7115 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|1,0,0]=3 7116 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|1,0,0]=3 7117 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|0,0,0]=2 7118 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|0,0,0]=2 7119 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|0,0,0]=2 7120 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|0,0,0]=2 7121 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,2,0,0,0,0|1,0,1]=4 7122 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|1,0,0]=3 7123 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|1,0,0]=3 7124 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|1,0,0]=3 7125 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|1,0,0]=3 7126 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|0,0,0]=2 7127 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|0,0,0]=2 7128 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|2,0,0]=4 7129 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|1,1,0]=4 7130 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|1,1,0]=4 7131 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|1,1,0]=4 7132 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|1,1,0]=4 7133 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,2,0,0,0,0|2,0,0]=4 7134 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,2,0,0,0,0|2,0,0]=4 7135 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,2,0,0,0,0|2,0,0]=4 7136 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,2,0,0,0,0|2,0,0]=4 7137 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,2,0,0,0,0|2,0,0]=4 7138 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,2,0,0,0,0|2,0,0]=4 7139 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|2,0,0]=4 7140 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|2,0,0]=4 7141 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|2,0,0]=4 7142 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|2,0,0]=4 7143 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,2,0,0,0,0|1,1,0]=4 7144 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 7145 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 7146 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,2,0,0,0,0|1,1,0]=4 7147 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,2,0,0,0,0|1,1,0]=4 7148 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,2,0,0,0,0|1,0,0]=3 7149 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,2,0,0,0,0|1,0,0]=3 7150 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,2,0,0,0,0|1,0,0]=3 7151 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,2,0,0,0,0|1,0,0]=3 7152 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,2,0,0,0,0|1,0,0]=3 7153 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,2,0,0,0,0|1,0,0]=3 7154 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|1,0,0]=3 7155 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|1,0,0]=3 7156 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,2,0,0,0,0|1,0,0]=3 7157 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,2,0,0,0,0|1,0,0]=3 7158 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,2,0,0,0,0|1,0,0]=3 7159 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,2,0,0,0,0|1,0,0]=3 7160 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,2,0,0,0,0|2,0,0]=4 7161 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,2,0,0,0,0|2,0,0]=4 7162 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,2,0,0,0,0|2,0,0]=4 7163 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,2,0,0,0,0|2,0,0]=4 7164 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|2,0,0]=4 7165 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|2,0,0]=4 7166 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|1,1,0]=4 7167 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|1,1,0]=4 7168 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|1,1,0]=4 7169 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,2,0,0,0,0|1,0,0]=3 7170 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,2,0,0,0,0|1,0,0]=3 7171 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,2,0,0,0,0|1,0,0]=3 7172 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,2,0,0,0,0|2,0,0]=4 7173 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,2,0,0,0,0|2,0,0]=4 7174 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,2,0,0,0,0|2,0,0]=4 7175 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,2,0,0,0,0|2,0,0]=4 7176 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,2,0,0,0,0|2,0,0]=4 7177 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|2,0,0]=4 7178 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|1,1,0]=4 7179 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|1,1,0]=4 7180 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|1,1,0]=4 7181 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|1,1,0]=4 7182 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|1,1,0]=4 7183 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|1,1,0]=4 7184 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|1,0,0]=3 7185 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|1,0,0]=3 7186 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|1,0,0]=3 7187 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,2,0,0,0,0|2,0,0]=4 7188 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,2,0,0,0,0|2,0,0]=4 7189 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|2,0,0]=4 7190 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|2,0,0]=4 7191 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|1,1,0]=4 7192 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|1,1,0]=4 7193 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,2,0,0,0,0|1,0,0]=3 7194 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,2,0,0,0,0|1,0,0]=3 7195 B10R0.74 CNC(=O)CCSCSC#N 62a_100000211825_100000737683 [0,2,0,0,0,0|1,0,1]=4 7196 B10R0.74 CNC(=O)CCSCSC#N 62a_100000737683_100000211825 [0,2,0,0,0,0|1,0,1]=4 7197 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|2,0,0]=4 7198 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|2,0,0]=4 7199 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 7200 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 7201 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|1,1,0]=4 7202 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|1,1,0]=4 7203 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|1,0,0]=3 7204 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|2,0,0]=4 7205 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 7206 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 7207 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|2,0,0]=4 7208 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 7209 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 7210 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|2,0,0]=4 7211 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 7212 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|2,0,0]=4 7213 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|1,1,0]=4 7214 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|1,1,0]=4 7215 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|1,0,0]=3 7216 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|1,0,0]=3 7217 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|2,0,0]=4 7218 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|2,0,0]=4 7219 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|2,0,0]=4 7220 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 7221 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|1,1,0]=4 7222 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|1,1,0]=4 7223 B10R0.74 CNC(=O)CSCCSC#N 62a_100000034367_100000183359 [0,2,0,0,0,0|1,0,1]=4 7224 B10R0.74 CNC(=O)CSCCSC#N 62a_100000183359_100000034367 [0,2,0,0,0,0|1,0,1]=4 7225 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 7226 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 7227 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 7228 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 7229 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|2,0,0]=4 7230 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,2,0,0,0,0|1,0,0]=3 7231 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,2,0,0,0,0|2,0,0]=4 7232 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,2,0,0,0,0|2,0,0]=4 7233 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,2,0,0,0,0|2,0,0]=4 7234 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,2,0,0,0,0|2,0,0]=4 7235 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,2,0,0,0,0|2,0,0]=4 7236 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,2,0,0,0,0|1,1,0]=4 7237 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,2,0,0,0,0|1,1,0]=4 7238 B10R0.74 CNC(=O)OCCSCC#N 62a_100011215382_200011997002 [0,2,0,0,0,0|2,0,0]=4 7239 B10R0.74 CNC(=O)OCCSCC#N 62a_200011997002_100011215382 [0,2,0,0,0,0|2,0,0]=4 7240 B10R0.74 CNC(=O)OCCSCC=O 62a_200011997002_200015260668 [0,2,0,0,0,0|2,0,0]=4 7241 B10R0.74 CNC(=O)OCCSCC=O 62a_200015260668_200011997002 [0,2,0,0,0,0|2,0,0]=4 7242 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,2,0,0,0,0|2,0,0]=4 7243 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,2,0,0,0,0|2,0,0]=4 7244 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 7245 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,2,0,0,0,0|2,0,0]=4 7246 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,2,0,0,0,0|1,1,0]=4 7247 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,2,0,0,0,0|1,1,0]=4 7248 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,2,0,0,0,0|1,0,0]=3 7249 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,2,0,0,0,0|1,0,0]=3 7250 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|1,0,0]=3 7251 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|1,0,0]=3 7252 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|1,0,0]=3 7253 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 7254 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,0]=3 7255 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100000742655_100011215382 [0,2,0,0,0,0|0,0,2]=4 7256 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100011215382_100000742655 [0,2,0,0,0,0|0,0,2]=4 7257 B10R0.74 COC(=O)/C=C/CSCC=O 62a_100000742655_200015260668 [0,2,0,0,0,0|0,0,2]=4 7258 B10R0.74 COC(=O)/C=C/CSCC=O 62a_200015260668_100000742655 [0,2,0,0,0,0|0,0,2]=4 7259 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [0,2,0,0,0,0|0,0,2]=4 7260 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [0,2,0,0,0,0|0,0,2]=4 7261 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [0,2,0,0,0,0|0,0,2]=4 7262 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [0,2,0,0,0,0|0,0,2]=4 7263 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [0,2,0,0,0,0|0,0,1]=3 7264 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [0,2,0,0,0,0|0,0,1]=3 7265 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|0,1,0]=3 7266 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|0,1,0]=3 7267 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|0,0,0]=2 7268 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|0,0,0]=2 7269 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|0,0,0]=2 7270 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|0,0,0]=2 7271 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|0,1,0]=3 7272 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|0,1,0]=3 7273 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|0,0,0]=2 7274 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|0,0,0]=2 7275 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|1,0,0]=3 7276 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|1,0,0]=3 7277 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|1,0,0]=3 7278 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|0,1,0]=3 7279 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|0,1,0]=3 7280 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,2,0,0,0,0|0,0,0]=2 7281 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,2,0,0,0,0|0,0,0]=2 7282 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,2,0,0,0,0|0,0,0]=2 7283 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,2,0,0,0,0|0,0,0]=2 7284 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|0,0,0]=2 7285 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|0,0,0]=2 7286 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|0,0,0]=2 7287 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|0,0,0]=2 7288 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|0,0,0]=2 7289 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|0,0,0]=2 7290 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|1,0,0]=3 7291 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|1,0,0]=3 7292 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|0,0,0]=2 7293 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|1,0,0]=3 7294 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|1,0,0]=3 7295 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|1,0,0]=3 7296 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|1,0,0]=3 7297 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,2,0,0,0,0|1,1,0]=4 7298 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|0,0,0]=2 7299 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|0,0,0]=2 7300 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,2,0,0,0,0|1,0,1]=4 7301 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,2,0,0,0,0|1,0,1]=4 7302 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|1,0,0]=3 7303 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|1,0,0]=3 7304 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|1,0,0]=3 7305 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|1,0,0]=3 7306 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|0,0,0]=2 7307 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|0,0,0]=2 7308 B10R0.74 COC(=O)CCSCSC#N 62a_100000204255_100000211825 [0,2,0,0,0,0|0,0,1]=3 7309 B10R0.74 COC(=O)CCSCSC#N 62a_100000211825_100000204255 [0,2,0,0,0,0|0,0,1]=3 7310 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 7311 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 7312 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|0,0,0]=2 7313 B10R0.74 COC(=O)COCC#CCCl 34a_200000047223_100000747449 [0,2,0,0,0,0|1,0,1]=4 7314 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,0]=3 7315 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 7316 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 7317 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 7318 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 7319 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,0]=3 7320 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 7321 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|0,0,0]=2 7322 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|0,0,0]=2 7323 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|0,0,0]=2 7324 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|0,0,0]=2 7325 B10R0.74 COC(=O)CSCC#CCO 62a_100000747449_200000047223 [0,2,0,0,0,0|1,0,1]=4 7326 B10R0.74 COC(=O)CSCC#CCO 62a_200000047223_100000747449 [0,2,0,0,0,0|1,0,1]=4 7327 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,2,0,0,0,0|1,0,1]=4 7328 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,2,0,0,0,0|1,0,1]=4 7329 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|1,0,1]=4 7330 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|1,0,1]=4 7331 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|1,0,0]=3 7332 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|1,0,0]=3 7333 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 7334 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|1,0,0]=3 7335 B10R0.74 COC(=O)CSCCSC#N 62a_100000034367_100000747449 [0,2,0,0,0,0|0,0,1]=3 7336 B10R0.74 COC(=O)CSCCSC#N 62a_100000747449_100000034367 [0,2,0,0,0,0|0,0,1]=3 7337 B10R0.74 COC(=O)NCCOCC=O 34a_100000757965_200009817547 [0,2,0,0,0,0|1,1,0]=4 7338 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,2,0,0,0,0|1,1,0]=4 7339 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,2,0,0,0,0|1,1,0]=4 7340 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,2,0,0,0,0|0,0,0]=2 7341 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,2,0,0,0,0|1,1,0]=4 7342 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|1,1,0]=4 7343 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|1,1,0]=4 7344 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|0,0,0]=2 7345 B10R0.74 COC(=O)OCSCCC#N 62a_100011215226_100000139417 [0,2,0,0,0,0|2,0,0]=4 7346 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|2,0,0]=4 7347 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|2,0,0]=4 7348 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|0,0,0]=2 7349 B10R0.74 COC(=O)OCSCSC#N 62a_100000211825_100000139417 [0,2,0,0,0,0|1,0,1]=4 7350 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,2,0,0,0,0|1,0,1]=4 7351 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|0,1,0]=3 7352 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|0,1,0]=3 7353 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|0,1,0]=3 7354 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|0,1,0]=3 7355 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|0,1,0]=3 7356 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|0,1,0]=3 7357 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|0,1,0]=3 7358 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|0,1,0]=3 7359 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|0,1,0]=3 7360 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|0,1,0]=3 7361 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|0,1,0]=3 7362 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|0,1,0]=3 7363 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [0,2,0,0,0,0|0,0,2]=4 7364 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [0,2,0,0,0,0|0,0,2]=4 7365 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|0,0,0]=2 7366 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|0,0,0]=2 7367 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,2,0,0,0,0|2,0,0]=4 7368 B10R0.75 C=C(Br)C(=O)NCCCSC 11a_100000749238_100009813364 [0,2,0,0,0,0|1,0,1]=4 7369 B10R0.75 C=C(Br)C(=O)NCCCSC 1626a_100000749238_100009813364 [0,2,0,0,0,0|1,0,1]=4 7370 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|2,0,0]=4 7371 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|2,0,0]=4 7372 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|2,0,0]=4 7373 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|1,1,0]=4 7374 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|1,1,0]=4 7375 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|2,0,0]=4 7376 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|2,0,0]=4 7377 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|2,0,0]=4 7378 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|2,0,0]=4 7379 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|2,0,0]=4 7380 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|2,0,0]=4 7381 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|1,1,0]=4 7382 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|1,0,0]=3 7383 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|1,0,0]=3 7384 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 7385 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 7386 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|1,1,0]=4 7387 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|1,1,0]=4 7388 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|2,0,0]=4 7389 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|2,0,0]=4 7390 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100009816335_100015361967 [0,2,0,0,0,0|2,0,0]=4 7391 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100015361967_100009816335 [0,2,0,0,0,0|2,0,0]=4 7392 B10R0.75 C=C(Cl)C(=O)NCCCSC 11a_100000749238_100000039160 [0,2,0,0,0,0|1,0,1]=4 7393 B10R0.75 C=C(Cl)C(=O)NCCCSC 1626a_100000749238_100000039160 [0,2,0,0,0,0|1,0,1]=4 7394 B10R0.75 C=C(F)C(=O)NCCCSC 11a_100000749238_100000036797 [0,2,0,0,0,0|1,0,1]=4 7395 B10R0.75 C=C(F)C(=O)NCCCSC 1626a_100000749238_100000036797 [0,2,0,0,0,0|1,0,1]=4 7396 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|2,0,0]=4 7397 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|2,0,0]=4 7398 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|2,0,0]=4 7399 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|2,0,0]=4 7400 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|2,0,0]=4 7401 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|2,0,0]=4 7402 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|2,0,0]=4 7403 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|2,0,0]=4 7404 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 7405 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 7406 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 7407 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 7408 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|2,0,0]=4 7409 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|2,0,0]=4 7410 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 7411 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 7412 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 7415 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 7416 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 7417 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 7418 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|2,0,0]=4 7419 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|2,0,0]=4 7420 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|2,0,0]=4 7421 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|2,0,0]=4 7422 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|2,0,0]=4 7423 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|2,0,0]=4 7424 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|2,0,0]=4 7425 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|2,0,0]=4 7426 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|2,0,0]=4 7427 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|2,0,0]=4 7428 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|2,0,0]=4 7429 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|2,0,0]=4 7430 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|2,0,0]=4 7431 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|2,0,0]=4 7432 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|2,0,0]=4 7433 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 7434 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 7435 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 7436 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|2,0,0]=4 7437 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 7438 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|2,0,0]=4 7439 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|2,0,0]=4 7440 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|2,0,0]=4 7441 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|2,0,0]=4 7442 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|2,0,0]=4 7443 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|2,0,0]=4 7444 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|2,0,0]=4 7445 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|2,0,0]=4 7446 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 7447 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 7448 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 7449 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 7450 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|2,0,0]=4 7451 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|2,0,0]=4 7452 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,2,0,0,0,0|2,0,0]=4 7453 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|2,0,0]=4 7454 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|2,0,0]=4 7455 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,2,0,0,0,0|2,0,0]=4 7456 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|2,0,0]=4 7457 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|2,0,0]=4 7458 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,2,0,0,0,0|2,0,0]=4 7459 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,2,0,0,0,0|2,0,0]=4 7460 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,2,0,0,0,0|2,0,0]=4 7461 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,2,0,0,0,0|2,0,0]=4 7462 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|1,1,0]=4 7463 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|1,1,0]=4 7464 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|1,1,0]=4 7465 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|1,1,0]=4 7466 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,2,0,0,0,0|1,0,0]=3 7467 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,2,0,0,0,0|1,0,0]=3 7468 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 7469 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 7470 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 7471 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 7472 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 7473 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 7474 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 7475 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 7476 B10R0.75 CCSCCNC(=O)N(C)C 2708a_100000106463_100102631434 [0,2,0,0,0,0|2,0,0]=4 7477 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|2,0,0]=4 7478 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 7479 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 7480 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|2,0,0]=4 7481 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|1,0,0]=3 7482 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|1,0,0]=3 7483 B10R0.75 CN(C)C(=O)CCCSCF 62a_100000737642_100015361967 [0,2,0,0,0,0|1,0,0]=3 7484 B10R0.75 CN(C)C(=O)CCCSCF 62a_100015361967_100000737642 [0,2,0,0,0,0|1,0,0]=3 7485 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|2,0,0]=4 7486 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|2,0,0]=4 7487 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|1,1,0]=4 7488 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|1,1,0]=4 7489 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|1,1,0]=4 7490 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,1,0]=4 7491 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,1,0]=4 7492 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,2,0,0,0,0|1,1,0]=4 7493 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,2,0,0,0,0|1,1,0]=4 7494 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,2,0,0,0,0|1,1,0]=4 7495 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,2,0,0,0,0|1,1,0]=4 7496 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,2,0,0,0,0|1,1,0]=4 7497 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,2,0,0,0,0|1,1,0]=4 7498 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,2,0,0,0,0|1,1,0]=4 7499 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|1,1,0]=4 7500 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|1,1,0]=4 7501 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|1,1,0]=4 7502 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,2,0,0,0,0|1,1,0]=4 7503 B10R0.75 COCCNCC(=O)N(C)C 2230a_100000209980_100000185267 [0,2,0,0,0,0|1,1,0]=4 7504 B10R0.75 COCCNCC(=O)N(C)C 2230a_100015183351_100011201679 [0,2,0,0,0,0|1,1,0]=4 7505 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,1,0]=4 7506 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,2,0,0,0,0|1,1,0]=4 7507 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,2,0,0,0,0|1,1,0]=4 7508 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,2,0,0,0,0|1,1,0]=4 7509 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,2,0,0,0,0|1,1,0]=4 7510 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,2,0,0,0,0|1,1,0]=4 7511 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,2,0,0,0,0|1,1,0]=4 7512 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,2,0,0,0,0|1,1,0]=4 7513 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|1,1,0]=4 7514 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|1,1,0]=4 7515 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,2,0,0,0,0|1,1,0]=4 7516 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,2,0,0,0,0|1,1,0]=4 7517 B10R0.75 COCCSCC(=O)N(C)C 62a_100000233755_100000692301 [0,2,0,0,0,0|1,1,0]=4 7518 B10R0.75 COCCSCC(=O)N(C)C 62a_100000692301_100000233755 [0,2,0,0,0,0|1,1,0]=4 7519 B10R0.75 COCNCCC(=O)N(C)C 2230a_100000738053_100000766300 [0,2,0,0,0,0|1,1,0]=4 7520 B10R0.75 COCSCCC(=O)N(C)C 62a_100000737620_100000766300 [0,2,0,0,0,0|1,1,0]=4 7521 B10R0.75 COCSCCC(=O)N(C)C 62a_100000766300_100000737620 [0,2,0,0,0,0|1,1,0]=4 7522 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|1,0,0]=3 7523 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|1,0,0]=3 7524 B10R0.75 CSCCCNC(=O)C(=O)N 240690a_100000749238_100011215815 [0,2,0,0,0,0|2,0,0]=4 7525 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 7526 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 7527 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 7528 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,2,0,0,0,0|1,0,0]=3 7529 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 7530 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 7531 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 7532 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 7533 B10R0.75 CSCCCNC(=O)C(F)F 11a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 7534 B10R0.75 CSCCCNC(=O)C(F)F 1626a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 7535 B10R0.75 CSCCCNC(=O)C(F)F 240690a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 7536 B10R0.75 CSCCCNC(=O)C(F)F 527a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 7537 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|2,0,0]=4 7538 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,2,0,0,0,0|1,0,0]=3 7539 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|1,0,0]=3 7540 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|1,0,0]=3 7541 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|1,0,0]=3 7542 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,2,0,0,0,0|1,0,0]=3 7543 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100015183351_100000751147 [0,2,0,0,0,0|1,0,0]=3 7544 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100020590264_100000185267 [0,2,0,0,0,0|1,0,0]=3 7545 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|1,0,0]=3 7546 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,2,0,0,0,0|1,0,0]=3 7547 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,2,0,0,0,0|1,0,0]=3 7548 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,2,0,0,0,0|1,0,0]=3 7549 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,2,0,0,0,0|1,0,0]=3 7550 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|1,0,0]=3 7551 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|1,0,0]=3 7552 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,2,0,0,0,0|1,0,0]=3 7553 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,2,0,0,0,0|1,0,0]=3 7554 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000212216_100000692301 [0,2,0,0,0,0|1,0,0]=3 7555 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000692301_100000751147 [0,2,0,0,0,0|1,0,0]=3 7556 B10R0.75 CSCNCCC(=O)N(C)C 2230a_100000738053_100011218213 [0,2,0,0,0,0|1,0,0]=3 7557 B10R0.75 CSCOCCC(=O)N(C)C 34a_200000747469_100011218213 [0,2,0,0,0,0|1,0,0]=3 7558 B10R0.75 CSCSCCC(=O)N(C)C 62a_100000737620_100011218213 [0,2,0,0,0,0|1,0,0]=3 7559 B10R0.75 CSCSCCC(=O)N(C)C 62a_100011218213_100000737620 [0,2,0,0,0,0|1,0,0]=3 7560 B10R0.75 CSCSCOC(=O)C(C)C 62a_100000139345_100011218213 [0,2,0,0,0,0|2,0,0]=4 7561 B10R0.75 CSCSCOC(=O)C(C)C 62a_100011218213_100000139345 [0,2,0,0,0,0|2,0,0]=4 7562 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|2,0,0]=4 7563 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|2,0,0]=4 7564 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|2,0,0]=4 7565 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|2,0,0]=4 7566 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,2,0,0,0,0|2,0,0]=4 7567 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,2,0,0,0,0|2,0,0]=4 7568 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|2,0,0]=4 7569 B10R0.5 COCCCC(=O)C(C)(C)C 1458a_106744555173_100000740836 [0,2,0,0,0,0|1,1,0]=4 7570 B10R0.5 COCCCC(=O)C(C)(C)F 1458a_100000765255_100000740836 [0,2,0,0,0,0|1,1,0]=4 7571 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,2,0,0,0,0|1,1,0]=4 7572 B10R0.5 CSCCCC(=O)C(F)(F)F 1458a_100000173376_200000243211 [0,2,0,0,0,0|2,0,0]=4 7573 B10R0.5 CSCCNC(=O)C(C)(C)C 11a_100020590264_106744555173 [0,2,0,0,0,0|2,0,0]=4 7574 B10R0.5 CSCCNC(=O)C(C)(C)C 1626a_100020590264_106744555173 [0,2,0,0,0,0|2,0,0]=4 7575 B10R0.5 CSCCNC(=O)C(C)(C)C 240690a_100020590264_106744555173 [0,2,0,0,0,0|2,0,0]=4 7576 B10R0.5 CSCCNC(=O)C(C)(C)C 527a_100020590264_106744555173 [0,2,0,0,0,0|2,0,0]=4 7577 B10R0.5 CSCCNC(=O)C(C)(C)F 11a_100020590264_100000765255 [0,2,0,0,0,0|2,0,0]=4 7578 B10R0.5 CSCCNC(=O)C(C)(C)F 1626a_100020590264_100000765255 [0,2,0,0,0,0|2,0,0]=4 7579 B10R0.5 CSCCNC(=O)C(C)(C)F 240690a_100020590264_100000765255 [0,2,0,0,0,0|2,0,0]=4 7580 B10R0.5 CSCCNC(=O)C(C)(C)F 527a_100020590264_100000765255 [0,2,0,0,0,0|2,0,0]=4 7581 B10R0.5 CSCCNC(=O)C(C)(C)O 240690a_100020590264_100000242741 [0,2,0,0,0,0|2,0,0]=4 7582 B10R0.5 CSCCNC(=O)C(C)(F)F 11a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 7583 B10R0.5 CSCCNC(=O)C(C)(F)F 1626a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 7584 B10R0.5 CSCCNC(=O)C(C)(F)F 240690a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 7585 B10R0.5 CSCCNC(=O)C(C)(F)F 527a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 7586 B10R0.5 CSCOCC(=O)C(C)(C)C 34a_200011592769_100011218213 [0,2,0,0,0,0|2,0,0]=4 7587 B10R0.5 CSCSCC(=O)C(C)(C)C 62a_100000210923_100011218213 [0,2,0,0,0,0|2,0,0]=4 7588 B10R0.5 CSCSCC(=O)C(C)(C)C 62a_100011218213_100000210923 [0,2,0,0,0,0|2,0,0]=4 7589 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 7590 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|1,0,1]=4 7591 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 7592 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|1,0,1]=4 7593 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|1,0,1]=4 7594 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,1,0,0|1,0,1]=4 7595 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,1,0]=4 7596 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 7597 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,1]=4 7598 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 7599 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|0,1,1]=4 7600 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|0,1,1]=4 7601 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|0,0,1]=3 7602 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,1]=4 7603 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,1]=4 7604 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|0,0,1]=3 7605 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,1,0,0|2,0,0]=4 7606 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,1,0,0|2,0,0]=4 7607 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 7608 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 7609 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,1,0]=4 7610 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 7611 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 7612 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|0,1,1]=4 7613 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|0,0,1]=3 7614 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,1]=4 7615 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,1]=4 7616 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|0,0,1]=3 7617 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,1,0,0|2,0,0]=4 7618 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,1,0,0|2,0,0]=4 7619 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,1,0,0|2,0,0]=4 7620 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,1,0,0|2,0,0]=4 7621 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 7622 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 7623 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 7624 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|1,0,1]=4 7625 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 7626 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,1,0]=4 7627 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 7628 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,1]=4 7629 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 7630 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 7631 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|0,1,1]=4 7632 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|0,1,1]=4 7633 B8R1.8 COCN1CCSC1 2230a_100011215254_100000766300 [1,0,0,1,0,0|1,0,1]=4 7634 B8R1.8 COCN1CCSC1 269982a_100011215254_100000766300 [1,0,0,1,0,0|1,0,1]=4 7635 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,1]=4 7636 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,1]=4 7637 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|0,0,1]=3 7638 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|0,0,1]=3 7639 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [1,0,0,1,0,0|2,0,0]=4 7640 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 7641 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 7642 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,1,0]=4 7643 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 7644 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 7645 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 7646 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|0,1,1]=4 7647 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,1]=4 7648 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,1]=4 7649 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|0,0,1]=3 7650 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|0,0,1]=3 7651 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|0,1,1]=4 7652 B8R1.10 CSCNC1COC1 2230a_100016991112_100011218213 [1,0,0,1,0,0|1,0,1]=4 7653 B8R1.10 CSCSC1COC1 62a_100011218213_100009818527 [1,0,0,1,0,0|1,0,1]=4 7654 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|0,1,1]=4 7655 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 7656 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 7657 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 7658 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 7659 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 7660 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 7661 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 7662 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 7663 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 7664 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 7665 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 7666 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,1]=4 7667 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 7668 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|0,1,1]=4 7669 B8R1.36 COCSCC1CS1 62a_100000031435_100000766300 [1,0,0,1,0,0|1,0,1]=4 7670 B8R1.36 COCSCC1CS1 62a_100000766300_100000031435 [1,0,0,1,0,0|1,0,1]=4 7671 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|0,0,1]=3 7672 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|0,0,1]=3 7673 B8R1.36 CSCOC[C@@H]1CO1 34a_100000757423_100011218213 [1,0,0,1,0,0|1,0,1]=4 7674 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [1,0,0,1,0,0|1,0,1]=4 7675 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [1,0,0,1,0,0|1,0,1]=4 7676 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [1,0,0,1,0,0|1,0,1]=4 7677 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [1,0,0,1,0,0|1,0,1]=4 7678 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|0,0,1]=3 7679 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|0,0,1]=3 7680 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|1,0,1]=4 7681 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 7682 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 7683 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 7684 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,1,0]=4 7685 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|1,0,1]=4 7686 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|1,1,0]=4 7687 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|1,1,0]=4 7688 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|1,0,0]=3 7689 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 7690 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,1,0]=4 7691 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|1,1,0]=4 7692 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|1,0,0]=3 7693 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,0,0,1,0,0|1,0,1]=4 7694 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|1,0,1]=4 7695 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [1,0,0,1,0,0|1,0,1]=4 7696 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [1,0,0,1,0,0|1,0,1]=4 7697 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|1,0,0]=3 7698 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|1,0,0]=3 7699 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,1,0]=4 7700 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|1,1,0]=4 7701 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|1,1,0]=4 7702 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 7703 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 7704 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 7705 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,0]=3 7706 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 7707 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 7708 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 7709 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [1,0,0,1,0,0|1,1,0]=4 7710 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [1,0,0,1,0,0|1,1,0]=4 7711 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [1,0,0,1,0,0|1,1,0]=4 7712 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [1,0,0,1,0,0|1,1,0]=4 7713 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|1,1,0]=4 7714 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|1,1,0]=4 7715 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|1,1,0]=4 7716 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|1,1,0]=4 7717 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 7718 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 7719 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [1,0,0,1,0,0|1,0,1]=4 7720 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [1,0,0,1,0,0|1,0,1]=4 7721 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|2,0,0]=4 7722 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|2,0,0]=4 7723 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|1,0,1]=4 7724 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [1,0,0,1,0,0|1,0,1]=4 7725 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|1,0,1]=4 7726 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [1,0,0,1,0,0|1,0,1]=4 7727 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,0]=3 7728 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,0]=3 7729 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,1,0]=4 7730 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,0]=3 7731 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,1,0]=4 7732 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 7733 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 7734 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 7735 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,0]=3 7736 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 7737 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 7738 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 7739 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 7740 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 7741 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 7742 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 7743 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 7744 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|2,0,0]=4 7745 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|2,0,0]=4 7746 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|2,0,0]=4 7747 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [1,0,0,1,0,0|1,0,1]=4 7748 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [1,0,0,1,0,0|1,0,1]=4 7749 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [1,0,0,1,0,0|1,0,1]=4 7750 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [1,0,0,1,0,0|1,0,1]=4 7751 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|2,0,0]=4 7752 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,0]=3 7753 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|2,0,0]=4 7754 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,0]=3 7755 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 7756 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 7757 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [1,0,0,1,0,0|2,0,0]=4 7758 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 7759 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 7760 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|1,0,0]=3 7761 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|1,0,0]=3 7762 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 7763 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 7764 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 7765 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 7766 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 7767 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 7768 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 7769 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 7770 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [1,0,0,1,0,0|1,1,0]=4 7771 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [1,0,0,1,0,0|1,1,0]=4 7772 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 7773 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 7774 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 7775 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|0,1,0]=3 7776 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|0,0,0]=2 7777 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|0,0,0]=2 7778 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|0,1,0]=3 7779 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|0,0,0]=2 7780 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|0,0,0]=2 7781 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|1,0,1]=4 7782 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 7783 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 7784 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 7785 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|0,1,0]=3 7786 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|0,1,0]=3 7787 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|2,0,0]=4 7788 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|2,0,0]=4 7789 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|1,0,0]=3 7790 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|1,0,0]=3 7791 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|1,0,0]=3 7792 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 7793 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [1,0,0,1,0,0|2,0,0]=4 7794 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|1,0,1]=4 7795 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 7796 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 7797 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|0,1,0]=3 7798 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 7799 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|2,0,0]=4 7800 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 7801 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 7802 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 7803 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 7804 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 7805 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 7806 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 7807 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 7808 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|0,1,0]=3 7809 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|0,1,0]=3 7810 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 7811 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 7812 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 7813 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 7814 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|1,1,0]=4 7815 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|1,1,0]=4 7816 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|1,1,0]=4 7817 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|1,1,0]=4 7818 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|1,0,0]=3 7819 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|1,0,0]=3 7820 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|1,0,0]=3 7821 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|1,0,0]=3 7822 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 7823 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|0,1,0]=3 7824 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 7825 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 7826 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|0,1,0]=3 7827 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 7828 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 7829 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 7830 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 7831 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 7832 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|2,0,0]=4 7833 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 7834 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [1,0,0,1,0,0|2,0,0]=4 7835 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 7836 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 7837 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [1,0,0,1,0,0|2,0,0]=4 7838 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,1,0,1,0,0|2,0,0]=4 7839 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,1,0,1,0,0|2,0,0]=4 7840 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|2,0,0]=4 7841 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,1,0,1,0,0|2,0,0]=4 7842 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 7843 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 7844 B10R1.14 CNC(=O)C1CCN(C1)C 2230a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 7845 B10R1.14 CNC(=O)C1CCN(C1)C 240690a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 7846 B10R1.14 CNC(=O)C1CCN(C1)C 269982a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 7847 B10R1.14 CNC(=O)C1CCN(C1)C 34a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 7848 B10R1.14 CNC(=O)C1CCN(C1)C 527a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 7849 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 2230a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 7850 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 269982a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 7851 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 34a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 7852 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,1,0,0|1,0,0]=3 7853 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,1,0,0|1,0,0]=3 7854 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,1,0,0|1,0,0]=3 7855 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,1,0,0|1,0,0]=3 7856 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,1,0,0|2,0,0]=4 7857 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,1,0,1,0,0|2,0,0]=4 7858 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,1,0,1,0,0|2,0,0]=4 7859 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,1,0,1,0,0|2,0,0]=4 7860 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,1,0,1,0,0|2,0,0]=4 7861 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|2,0,0]=4 7862 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 7863 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 7864 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,1,0,1,0,0|2,0,0]=4 7865 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [0,1,0,1,0,0|1,0,0]=3 7866 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [0,1,0,1,0,0|1,0,0]=3 7867 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 7868 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 7869 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 7870 B10R1.150 COC(=O)CN1CC(C1)F 2230a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 7871 B10R1.150 COC(=O)CN1CC(C1)F 269982a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 7872 B10R1.150 COC(=O)CN1CC(C1)F 34a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 7873 B10R1.150 COC(=O)CN1CC(C1)O 269982a_100000749847_100000747449 [0,1,0,1,0,0|2,0,0]=4 7874 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|1,1,0]=4 7875 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|2,0,0]=4 7876 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,1,0,1,0,0|1,1,0]=4 7877 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|2,0,0]=4 7878 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|2,0,0]=4 7879 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|2,0,0]=4 7880 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [0,1,0,1,0,0|1,1,0]=4 7881 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [0,1,0,1,0,0|1,1,0]=4 7882 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [0,1,0,1,0,0|1,0,0]=3 7883 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [0,1,0,1,0,0|1,0,0]=3 7884 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [0,1,0,1,0,0|1,1,0]=4 7885 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [0,1,0,1,0,0|1,1,0]=4 7886 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 7887 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 7888 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 7889 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,1,0,1,0,0|2,0,0]=4 7890 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,1,0,1,0,0|2,0,0]=4 7891 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,1,0,1,0,0|2,0,0]=4 7892 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,1,0,1,0,0|2,0,0]=4 7893 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|2,0,0]=4 7894 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|2,0,0]=4 7895 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|2,0,0]=4 7896 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|2,0,0]=4 7897 B10R1.153 CNC(=O)CNCC1CO1 2230a_100000693194_100011216344 [0,1,0,1,0,0|1,1,0]=4 7898 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|2,0,0]=4 7899 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|2,0,0]=4 7900 B10R1.153 CNC(=O)COCC1CO1 34a_100000750040_102125554688 [0,1,0,1,0,0|1,1,0]=4 7901 B10R1.153 CNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183359 [0,1,0,1,0,0|1,1,0]=4 7902 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|2,0,0]=4 7903 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 7904 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 7905 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 7906 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|2,0,0]=4 7907 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|2,0,0]=4 7908 B10R1.153 CNC(=O)CSCC1CO1 62a_100000183359_102125554688 [0,1,0,1,0,0|1,1,0]=4 7909 B10R1.153 CNC(=O)CSCC1CO1 62a_102125554688_100000183359 [0,1,0,1,0,0|1,1,0]=4 7910 B10R1.153 CNC(=O)CSCC1CS1 62a_100000031435_100000183359 [0,1,0,1,0,0|1,0,0]=3 7911 B10R1.153 CNC(=O)CSCC1CS1 62a_100000183359_100000031435 [0,1,0,1,0,0|1,0,0]=3 7912 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000183359_100000745022 [0,1,0,1,0,0|1,1,0]=4 7913 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183359 [0,1,0,1,0,0|1,1,0]=4 7914 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|2,0,0]=4 7915 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|2,0,0]=4 7916 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|2,0,0]=4 7917 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|2,0,0]=4 7918 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|2,0,0]=4 7919 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|2,0,0]=4 7920 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|1,0,0]=3 7921 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|1,0,0]=3 7922 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 7923 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 7924 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|1,0,0]=3 7925 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|0,1,0]=3 7926 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|1,0,0]=3 7927 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|1,0,0]=3 7928 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|0,1,0]=3 7929 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|0,1,0]=3 7930 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|0,0,0]=2 7931 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|0,0,0]=2 7932 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|0,1,0]=3 7933 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|0,1,0]=3 7934 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,1,0,1,0,0|2,0,0]=4 7935 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,1,0,1,0,0|2,0,0]=4 7936 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,1,0,1,0,0|2,0,0]=4 7937 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 7938 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 7939 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,1,0,1,0,0|1,0,0]=3 7940 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,1,0,1,0,0|1,0,0]=3 7941 B10R1.408 COC(=O)C1CN1C(=O)C 240690a_200009830135_100015343762 [0,1,0,1,0,0|2,0,0]=4 7942 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,1,0,1,0,0|2,0,0]=4 7943 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|2,0,0]=4 7944 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|1,1,0]=4 7945 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|1,1,0]=4 7946 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|1,1,0]=4 7947 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,1,0,1,0,0|2,0,0]=4 7948 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|1,0,0]=3 7949 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|1,1,0]=4 7950 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|1,1,0]=4 7951 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,1,0,1,0,0|2,0,0]=4 7952 B10R1.11 CC#CC(=O)C1CCOC1 1458a_100000763181_100000690089 [0,1,0,1,0,0|1,1,0]=4 7953 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,1,0,0|2,0,0]=4 7954 B10R1.11 CC=CC(=O)C1CCOC1 1458a_100000210699_100000690089 [0,1,0,1,0,0|1,1,0]=4 7955 B10R1.11 CC=CC(=O)N1CCSC1 11a_100011215254_100000210699 [0,1,0,1,0,0|2,0,0]=4 7956 B10R1.11 CC=CC(=O)N1CCSC1 240690a_100011215254_100000210699 [0,1,0,1,0,0|2,0,0]=4 7957 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|2,0,0]=4 7958 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|2,0,0]=4 7959 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,1,0,1,0,0|1,1,0]=4 7960 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,1,0,1,0,0|1,1,0]=4 7961 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 7962 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 7963 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 7964 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 7965 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 7966 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 7967 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,1,0,1,0,0|1,1,0]=4 7968 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,1,0,1,0,0|1,1,0]=4 7969 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,1,0,1,0,0|1,1,0]=4 7970 B10R1.11 CCNC(=O)N1CCSC1 2708a_100015525214_100011215254 [0,1,0,1,0,0|2,0,0]=4 7971 B10R1.11 CCNC(=O)N1CCSC1 273464a_100015525214_100011215254 [0,1,0,1,0,0|2,0,0]=4 7972 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,1,0,1,0,0|2,0,0]=4 7973 B10R1.11 CNNC(=O)C1CCOC1 22a_100016993582_100011219752 [0,1,0,1,0,0|1,1,0]=4 7974 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|1,0,0]=3 7975 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,1,0,1,0,0|0,1,0]=3 7976 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,1,0,1,0,0|2,0,0]=4 7977 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,1,0,1,0,0|2,0,0]=4 7978 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,1,0,1,0,0|2,0,0]=4 7979 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,1,0,1,0,0|2,0,0]=4 7980 B10R1.11 COCC(=O)N1CCSC1 11a_100011215254_100000210968 [0,1,0,1,0,0|1,0,0]=3 7981 B10R1.11 COCC(=O)N1CCSC1 240690a_100011215254_100000210968 [0,1,0,1,0,0|1,0,0]=3 7982 B10R1.11 COCC(=O)N1CCSC1 527a_100011215254_100000210968 [0,1,0,1,0,0|1,0,0]=3 7983 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,1,0,0|1,1,0]=4 7984 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,1,0,1,0,0|0,2,0]=4 7985 B10R1.11 CSCC(=O)N1CCSC1 11a_100011215254_100000184570 [0,1,0,1,0,0|1,1,0]=4 7986 B10R1.11 CSCC(=O)N1CCSC1 240690a_100011215254_100000184570 [0,1,0,1,0,0|1,1,0]=4 7987 B10R1.11 CSCC(=O)N1CCSC1 527a_100011215254_100000184570 [0,1,0,1,0,0|1,1,0]=4 7988 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|2,0,0]=4 7989 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,1,0,1,0,0|1,1,0]=4 7990 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|2,0,0]=4 7991 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|2,0,0]=4 7992 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,1,0,1,0,0|1,1,0]=4 7993 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,1,0,1,0,0|1,1,0]=4 7994 B10R1.11 O=C(CCO)N1CCSC1 240690a_100011215254_100011216618 [0,1,0,1,0,0|2,0,0]=4 7995 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,1,0,1,0,0|2,0,0]=4 7996 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|2,0,0]=4 7997 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|1,1,0]=4 7998 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|1,1,0]=4 7999 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|1,1,0]=4 8000 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|1,1,0]=4 8001 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,1,0,1,0,0|0,0,2]=4 8002 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,1,0,1,0,0|0,0,2]=4 8003 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,1,0,1,0,0|1,0,1]=4 8004 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,1,0,1,0,0|1,0,1]=4 8005 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,1,0,1,0,0|1,0,1]=4 8006 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,1,0,1,0,0|1,0,1]=4 8007 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 8008 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 8009 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|2,0,0]=4 8010 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|2,0,0]=4 8011 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|2,0,0]=4 8012 B10R1.29 COCN[C@@H]1CONC1=O 2230a_100000765999_100000766300 [0,1,0,1,0,0|1,1,0]=4 8013 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,1,0,0|1,1,0]=4 8014 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,1,0,0|1,1,0]=4 8015 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,1,0,1,0,0|2,0,0]=4 8016 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,1,0,1,0,0|2,0,0]=4 8017 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,1,0,1,0,0|2,0,0]=4 8018 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,1,0,1,0,0|2,0,0]=4 8019 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,1,0,1,0,0|2,0,0]=4 8020 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,1,0,1,0,0|2,0,0]=4 8021 B10R1.29 CSCN[C@@H]1CONC1=O 2230a_100000765999_100011218213 [0,1,0,1,0,0|1,0,0]=3 8022 B10R1.29 CSCN[C@@H]1CONC1=O 34a_100000765999_100011218213 [0,1,0,1,0,0|1,0,0]=3 8023 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,1,0,1,0,0|2,0,0]=4 8024 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,1,0,1,0,0|2,0,0]=4 8025 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,1,0,1,0,0|2,0,0]=4 8026 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,1,0,1,0,0|2,0,0]=4 8027 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|1,0,0]=3 8028 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|1,0,0]=3 8029 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,1,0,1,0,0|2,0,0]=4 8030 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,1,0,1,0,0|2,0,0]=4 8031 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,1,0,1,0,0|2,0,0]=4 8032 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,1,0,1,0,0|2,0,0]=4 8033 B10R1.96 CCC1=NOC(C1)CSC 62a_200000210301_200009817039 [0,1,0,1,0,0|1,0,1]=4 8034 B10R1.96 CCC1=NOC(C1)CSC 62a_200009817039_200000210301 [0,1,0,1,0,0|1,0,1]=4 8035 B10R1.96 CCC1=NOC(C1)CS[13CH3] 62a_200009817039_200025704644 [0,1,0,1,0,0|1,0,1]=4 8036 B10R1.96 CCC1=NOC(C1)CS[13CH3] 62a_200025704644_200009817039 [0,1,0,1,0,0|1,0,1]=4 8037 B10R1.96 CO[C@@H]1CCN(C1)CSC 2230a_100000766984_100011218213 [0,1,0,1,0,0|1,0,1]=4 8038 B10R1.96 CO[C@@H]1CCN(C1)CSC 269982a_100000766984_100011218213 [0,1,0,1,0,0|1,0,1]=4 8039 B10R1.130 CSCc1oc(=O)oc1C 62a_200000210301_100000068490 [0,1,0,1,0,0|1,0,1]=4 8040 B10R1.130 Cc1oc(=O)oc1CS[13CH3] 62a_200025704644_100000068490 [0,1,0,1,0,0|1,0,1]=4 8041 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|2,0,0]=4 8042 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|2,0,0]=4 8043 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,1,0,1,0,0|2,0,0]=4 8044 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|2,0,0]=4 8045 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 8046 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 8047 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 8048 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,1,0,1,0,0|2,0,0]=4 8049 B10R1.137 CC#CC(=O)CC1COC1 1458a_100000763181_100010264016 [0,1,0,1,0,0|1,1,0]=4 8050 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,1,0,1,0,0|2,0,0]=4 8051 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,1,0,1,0,0|1,1,0]=4 8052 B10R1.137 CC=CC(=O)NC1CSC1 11a_100016994217_100000210699 [0,1,0,1,0,0|2,0,0]=4 8053 B10R1.137 CC=CC(=O)NC1CSC1 1626a_100016994217_100000210699 [0,1,0,1,0,0|2,0,0]=4 8054 B10R1.137 CC=CC(=O)NC1CSC1 240690a_100016994217_100000210699 [0,1,0,1,0,0|2,0,0]=4 8055 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|2,0,0]=4 8056 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|2,0,0]=4 8057 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,1,0,1,0,0|1,1,0]=4 8058 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,1,0,1,0,0|1,1,0]=4 8059 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 8060 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 8061 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 8062 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,1,0,1,0,0|2,0,0]=4 8063 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 8064 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 8065 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 8066 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,1,0,1,0,0|1,1,0]=4 8067 B10R1.137 CCNC(=O)NC1CSC1 2708a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 8068 B10R1.137 CCNC(=O)NC1CSC1 2708a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 8069 B10R1.137 CCNC(=O)NC1CSC1 273464a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 8070 B10R1.137 CCNC(=O)NC1CSC1 273464a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 8071 B10R1.137 CCNC(=O)NC1CSC1 512a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 8072 B10R1.137 CCNC(=O)NC1CSC1 512a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 8073 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|2,0,0]=4 8074 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,1,0,1,0,0|2,0,0]=4 8075 B10R1.137 CNNC(=O)CC1COC1 22a_100016993582_100000687760 [0,1,0,1,0,0|1,1,0]=4 8076 B10R1.137 CNNC(=O)NC1CSC1 273464a_100016994217_100016993582 [0,1,0,1,0,0|2,0,0]=4 8077 B10R1.137 CNNC(=O)NC1CSC1 512a_100016993582_100016994217 [0,1,0,1,0,0|2,0,0]=4 8078 B10R1.137 CNNC(=O)NC1CSC1 512a_100016994217_100016993582 [0,1,0,1,0,0|2,0,0]=4 8079 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|1,0,0]=3 8080 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|2,0,0]=4 8081 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,1,0,1,0,0|0,1,0]=3 8082 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,1,0,1,0,0|2,0,0]=4 8083 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,1,0,1,0,0|2,0,0]=4 8084 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,1,0,1,0,0|2,0,0]=4 8085 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,1,0,1,0,0|2,0,0]=4 8086 B10R1.137 COCC(=O)NC1COC1 11a_100016991112_100000210968 [0,1,0,1,0,0|1,1,0]=4 8087 B10R1.137 COCC(=O)NC1COC1 1626a_100016991112_100000210968 [0,1,0,1,0,0|1,1,0]=4 8088 B10R1.137 COCC(=O)NC1COC1 240690a_100016991112_100000210968 [0,1,0,1,0,0|1,1,0]=4 8089 B10R1.137 COCC(=O)NC1COC1 527a_100016991112_100000210968 [0,1,0,1,0,0|1,1,0]=4 8090 B10R1.137 COCC(=O)NC1CSC1 11a_100016994217_100000210968 [0,1,0,1,0,0|1,0,0]=3 8091 B10R1.137 COCC(=O)NC1CSC1 1626a_100016994217_100000210968 [0,1,0,1,0,0|1,0,0]=3 8092 B10R1.137 COCC(=O)NC1CSC1 240690a_100016994217_100000210968 [0,1,0,1,0,0|1,0,0]=3 8093 B10R1.137 COCC(=O)NC1CSC1 527a_100016994217_100000210968 [0,1,0,1,0,0|1,0,0]=3 8094 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,1,0,1,0,0|1,1,0]=4 8095 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,1,0,1,0,0|0,2,0]=4 8096 B10R1.137 CSCC(=O)NC1CSC1 11a_100016994217_100000184570 [0,1,0,1,0,0|1,1,0]=4 8097 B10R1.137 CSCC(=O)NC1CSC1 1626a_100016994217_100000184570 [0,1,0,1,0,0|1,1,0]=4 8098 B10R1.137 CSCC(=O)NC1CSC1 240690a_100016994217_100000184570 [0,1,0,1,0,0|1,1,0]=4 8099 B10R1.137 CSCC(=O)NC1CSC1 527a_100016994217_100000184570 [0,1,0,1,0,0|1,1,0]=4 8100 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|2,0,0]=4 8101 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [0,1,0,1,0,0|1,1,0]=4 8102 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|2,0,0]=4 8103 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|2,0,0]=4 8104 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,1,0,1,0,0|1,1,0]=4 8105 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,1,0,1,0,0|1,1,0]=4 8106 B10R1.137 O=C(CCO)NC1CSC1 240690a_100016994217_100011216618 [0,1,0,1,0,0|2,0,0]=4 8107 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [0,1,0,1,0,0|2,0,0]=4 8108 B10R1.138 CC#CC(=O)CCC1CO1 1458a_100000763181_100000732470 [0,1,0,1,0,0|1,1,0]=4 8109 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,1,0,1,0,0|2,0,0]=4 8110 B10R1.138 CC=CC(=O)CCC1CO1 1458a_100000210699_100000732470 [0,1,0,1,0,0|1,1,0]=4 8111 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|2,0,0]=4 8112 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|2,0,0]=4 8113 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,1,0,1,0,0|1,1,0]=4 8114 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 8115 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 8116 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 8117 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,1,0,1,0,0|2,0,0]=4 8118 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,1,0,1,0,0|2,0,0]=4 8119 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [0,1,0,1,0,0|2,0,0]=4 8120 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|1,0,0]=3 8121 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|0,1,0]=3 8122 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,1,0,1,0,0|2,0,0]=4 8123 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,1,0,1,0,0|2,0,0]=4 8124 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,1,0,1,0,0|2,0,0]=4 8125 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,1,0,1,0,0|2,0,0]=4 8126 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,1,0,1,0,0|1,1,0]=4 8127 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,1,0,1,0,0|0,2,0]=4 8128 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,1,0,1,0,0|2,0,0]=4 8129 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,1,0,1,0,0|2,0,0]=4 8130 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,1,0,1,0,0|2,0,0]=4 8131 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,1,0,1,0,0|1,1,0]=4 8132 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,1,0,0|2,0,0]=4 8133 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,1,0,1,0,0|2,0,0]=4 8134 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,1,0,1,0,0|2,0,0]=4 8135 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,1,0,1,0,0|2,0,0]=4 8136 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [0,1,0,1,0,0|1,0,1]=4 8137 B10R1.186 C#CCCCC(=O)C1CO1 1458a_100000701028_100000731252 [0,1,0,1,0,0|1,0,1]=4 8138 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [0,1,0,1,0,0|1,0,1]=4 8139 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|2,0,0]=4 8140 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|1,0,0]=3 8141 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|2,0,0]=4 8142 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|2,0,0]=4 8143 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|2,0,0]=4 8144 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|2,0,0]=4 8145 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|2,0,0]=4 8146 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|2,0,0]=4 8147 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|1,1,0]=4 8148 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|0,1,0]=3 8149 B10R1.186 COCCNC(=O)C1CO1 1626a_100000209980_100000701028 [0,1,0,1,0,0|1,1,0]=4 8150 B10R1.186 COCCNC(=O)C1CO1 240690a_100000209980_100000701028 [0,1,0,1,0,0|1,1,0]=4 8151 B10R1.186 COCCNC(=O)C1CO1 527a_100000209980_100000701028 [0,1,0,1,0,0|1,1,0]=4 8152 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,1,0,1,0,0|2,0,0]=4 8153 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,1,0,1,0,0|2,0,0]=4 8154 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,1,0,1,0,0|2,0,0]=4 8155 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,1,0,1,0,0|2,0,0]=4 8156 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,1,0,1,0,0|1,0,0]=3 8157 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,1,0,1,0,0|1,0,0]=3 8158 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,1,0,1,0,0|1,0,0]=3 8159 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,1,0,1,0,0|1,0,0]=3 8160 B10R1.186 CSCOCC(=O)C1CC1 34a_100000686663_100011218213 [0,1,0,1,0,0|2,0,0]=4 8161 B10R1.186 CSCSCC(=O)C1CC1 62a_100000746382_100011218213 [0,1,0,1,0,0|2,0,0]=4 8162 B10R1.186 CSCSCC(=O)C1CC1 62a_100011218213_100000746382 [0,1,0,1,0,0|2,0,0]=4 8163 B10R1.186 N#CCCCC(=O)C1CO1 1458a_100000701028_100000211468 [0,1,0,1,0,0|2,0,0]=4 8164 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|2,0,0]=4 8165 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|2,0,0]=4 8166 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|2,0,0]=4 8167 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|2,0,0]=4 8168 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|2,0,0]=4 8169 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|1,1,0]=4 8170 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|1,1,0]=4 8171 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,1,0,0|1,1,0]=4 8172 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,1,0,0|1,1,0]=4 8173 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,1,0,0|1,0,0]=3 8174 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,1,0,0|1,1,0]=4 8175 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,1,0,1,0,0|1,1,0]=4 8176 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,1,0,1,0,0|1,1,0]=4 8177 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 8178 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 8179 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 8180 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,1,0,1,0,0|2,0,0]=4 8181 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|2,0,0]=4 8182 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 8183 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 8184 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 8185 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|2,0,0]=4 8186 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 8187 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 8188 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 8189 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|1,1,0]=4 8190 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|1,1,0]=4 8191 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|1,1,0]=4 8192 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|1,1,0]=4 8193 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,1,0,0|1,1,0]=4 8194 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,1,0,0|1,1,0]=4 8195 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,1,0,0|1,1,0]=4 8196 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,1,0,0|1,1,0]=4 8197 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,1,0,0|1,0,0]=3 8198 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 8199 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 8200 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 8201 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,1,0,0|1,1,0]=4 8202 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,1,0,0|1,1,0]=4 8203 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,1,0,0|1,1,0]=4 8204 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,1,0,0|1,1,0]=4 8205 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,1,0,1,0,0|1,1,0]=4 8206 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,1,0,1,0,0|1,1,0]=4 8207 B10R1.15 CNC(=O)N1CCSCC1 2708a_100102657272_100000737611 [0,1,0,1,0,0|2,0,0]=4 8208 B10R1.15 CNC(=O)N1CCSCC1 273464a_100102657272_100000737611 [0,1,0,1,0,0|2,0,0]=4 8209 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [0,1,0,1,0,0|2,0,0]=4 8210 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [0,1,0,1,0,0|2,0,0]=4 8211 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [0,1,0,1,0,0|2,0,0]=4 8212 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [0,1,0,1,0,0|2,0,0]=4 8213 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,1,0,0|2,0,0]=4 8214 B10R1.99 C#CCN1CC1C(=O)OC 2230a_200009830135_100000038162 [0,1,0,1,0,0|1,0,1]=4 8215 B10R1.99 C=CCN1CC1C(=O)OC 2230a_200009830135_100000210623 [0,1,0,1,0,0|1,0,1]=4 8216 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|1,0,0]=3 8217 B10R1.99 COC(=O)C1CN1CC#N 2230a_200009830135_100011215382 [0,1,0,1,0,0|2,0,0]=4 8218 B10R1.99 COC(=O)C1CN1CC=O 2230a_200009830135_200015260668 [0,1,0,1,0,0|2,0,0]=4 8219 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [0,1,0,1,0,0|2,0,0]=4 8220 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,1,0,1,0,0|2,0,0]=4 8221 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [0,1,0,1,0,0|0,0,0]=2 8222 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [0,1,0,1,0,0|0,1,0]=3 8223 B10R1.169 CCC(=O)C1CC(C1)OC 1458a_100011999411_100000210202 [0,1,0,1,0,0|1,1,0]=4 8224 B10R1.169 CCC(=O)N1CC(C1)SC 11a_100016990038_100000210414 [0,1,0,1,0,0|2,0,0]=4 8225 B10R1.169 CCC(=O)N1CC(C1)SC 1626a_100016990038_100000210414 [0,1,0,1,0,0|2,0,0]=4 8226 B10R1.169 CCC(=O)N1CC(C1)SC 240690a_100016990038_100000210414 [0,1,0,1,0,0|2,0,0]=4 8227 B10R1.169 CCC(=O)N1CC(C1)SC 527a_100016990038_100000210414 [0,1,0,1,0,0|2,0,0]=4 8228 B10R1.169 CCN1CC(C1)C(=O)OC 269982a_100015188540_100000204670 [0,1,0,1,0,0|2,0,0]=4 8229 B10R1.169 CNC(=O)C1CC(C1)OC 11a_106832991635_100011999411 [0,1,0,1,0,0|1,1,0]=4 8230 B10R1.169 CNC(=O)C1CC(C1)OC 1626a_100102657272_100011999411 [0,1,0,1,0,0|1,1,0]=4 8231 B10R1.169 CNC(=O)C1CC(C1)OC 240690a_100102657272_100011999411 [0,1,0,1,0,0|1,1,0]=4 8232 B10R1.169 CNC(=O)C1CC(C1)OC 527a_100102657272_100011999411 [0,1,0,1,0,0|1,1,0]=4 8233 B10R1.169 CNC(=O)N1CC(C1)SC 2708a_100102657272_100016990038 [0,1,0,1,0,0|2,0,0]=4 8234 B10R1.169 CNC(=O)N1CC(C1)SC 273464a_100102657272_100016990038 [0,1,0,1,0,0|2,0,0]=4 8235 B10R1.169 CNC1CC(C1)C(=O)OC 34a_100102657272_100009897219 [0,1,0,1,0,0|1,0,0]=3 8236 B10R1.169 CNC1CC(C1)C(=O)OC 7a_106832991635_100009897219 [0,1,0,1,0,0|1,0,0]=3 8237 B10R1.169 COC(=O)C1CC(C1)OC 34a_100138415774_100009897219 [0,1,0,1,0,0|0,1,0]=3 8238 B10R1.169 COC(=O)C1CC(C1)OC 7a_100000076263_200000210301 [0,1,0,1,0,0|0,1,0]=3 8239 B10R1.169 COC(=O)C1CC(C1)O[13CH3] 7a_100000076263_200025704644 [0,1,0,1,0,0|0,1,0]=3 8240 B10R1.169 COC(=O)C1CC(C1)SC 62a_100009897219_200000210301 [0,1,0,1,0,0|0,0,0]=2 8241 B10R1.169 COC(=O)C1CC(C1)SC 62a_200000210301_100009897219 [0,1,0,1,0,0|0,0,0]=2 8242 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_100009897219_200025704644 [0,1,0,1,0,0|0,0,0]=2 8243 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_200025704644_100009897219 [0,1,0,1,0,0|0,0,0]=2 8244 B10R1.176 CN1CC(CCC1=O)N[13CH3] 2230a_100011935005_200025704644 [0,1,0,1,0,0|2,0,0]=4 8245 B10R1.176 CN1CC(CCC1=O)N[13CH3] 34a_100011935005_200025704644 [0,1,0,1,0,0|2,0,0]=4 8246 B10R1.176 CNC1CCC(=O)N(C1)C 2230a_100011935005_200000210301 [0,1,0,1,0,0|2,0,0]=4 8247 B10R1.176 CNC1CCC(=O)N(C1)C 34a_100011935005_200000210301 [0,1,0,1,0,0|2,0,0]=4 8248 B10R1.182 COC(=O)C(C)N1CCC1 269982a_100000754969_100000211248 [0,1,0,1,0,0|2,0,0]=4 8249 B10R1.184 CNC(=O)C(=O)CC1CS1 1458a_100011218921_100000031435 [0,1,0,1,0,0|1,0,1]=4 8250 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|2,0,0]=4 8251 B10R1.184 COC(=O)C(C)OC1CC1 34a_100011215400_100000211595 [0,1,0,1,0,0|2,0,0]=4 8252 B10R1.184 COC(=O)C(C)SC1CC1 62a_100000211248_100000211595 [0,1,0,1,0,0|2,0,0]=4 8253 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,1,0,0|2,0,0]=4 8254 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,1,0,0|2,0,0]=4 8255 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,1,0,0|2,0,0]=4 8256 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,1,0,0|2,0,0]=4 8257 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,1,0,0|2,0,0]=4 8258 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,1,0,0|2,0,0]=4 8259 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,1,0,0|2,0,0]=4 8260 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,1,0,0|2,0,0]=4 8261 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,1,0,0|2,0,0]=4 8262 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [0,1,0,1,0,0|1,1,0]=4 8263 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [0,1,0,1,0,0|1,0,0]=3 8264 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,1,0,0|2,0,0]=4 8265 B10R1.151 CCC(=O)CSC1COC1 62a_100000747405_100009818527 [0,1,0,1,0,0|1,1,0]=4 8266 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 8267 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 8268 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 8269 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 8270 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,1,0,1,0,0|1,1,0]=4 8271 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,1,0,1,0,0|1,1,0]=4 8272 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,1,0,1,0,0|1,1,0]=4 8273 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,1,0,1,0,0|1,1,0]=4 8274 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,1,0,1,0,0|2,0,0]=4 8275 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,1,0,1,0,0|2,0,0]=4 8276 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,1,0,1,0,0|2,0,0]=4 8277 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,1,0,1,0,0|2,0,0]=4 8278 B10R1.151 CNC(=O)CNC1COC1 2230a_100016991112_100000183359 [0,1,0,1,0,0|1,1,0]=4 8279 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,1,0,1,0,0|2,0,0]=4 8280 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,1,0,1,0,0|2,0,0]=4 8281 B10R1.151 CNC(=O)COC1COC1 34a_100000750040_100009818527 [0,1,0,1,0,0|1,1,0]=4 8282 B10R1.151 CNC(=O)COC1CSC1 7a_100000072292_100000183359 [0,1,0,1,0,0|1,0,0]=3 8283 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,1,0,1,0,0|2,0,0]=4 8284 B10R1.151 CNC(=O)CSC1COC1 62a_100000183359_100009818527 [0,1,0,1,0,0|1,1,0]=4 8285 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,1,0,0|2,0,0]=4 8286 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,1,0,0|2,0,0]=4 8287 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,1,0,0|2,0,0]=4 8288 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,1,0,0|2,0,0]=4 8289 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,1,0,0|2,0,0]=4 8290 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,1,0,0|2,0,0]=4 8291 B10R1.151 CNC(=O)NCC1COC1 2708a_100015281925_106832991635 [0,1,0,1,0,0|1,1,0]=4 8292 B10R1.151 CNC(=O)NCC1COC1 2708a_100102657272_100015281925 [0,1,0,1,0,0|1,1,0]=4 8293 B10R1.151 CNC(=O)NCC1COC1 273464a_100015281925_100102657272 [0,1,0,1,0,0|1,1,0]=4 8294 B10R1.151 CNC(=O)NCC1COC1 273464a_100102657272_100015281925 [0,1,0,1,0,0|1,1,0]=4 8295 B10R1.151 CNC(=O)NCC1COC1 512a_100015281925_100102657272 [0,1,0,1,0,0|1,1,0]=4 8296 B10R1.151 CNC(=O)NCC1COC1 512a_106832991638_100015281925 [0,1,0,1,0,0|1,1,0]=4 8297 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|1,0,0]=3 8298 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|1,0,0]=3 8299 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|1,0,0]=3 8300 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [0,1,0,1,0,0|0,1,0]=3 8301 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|1,0,0]=3 8302 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,1,0,1,0,0|0,0,0]=2 8303 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|1,0,0]=3 8304 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [0,1,0,1,0,0|0,1,0]=3 8305 B10R1.152 COC(=O)CNC1(CC1)C 2230a_100000757604_100000747449 [0,1,0,1,0,0|2,0,0]=4 8306 B10R1.152 COC(=O)COC1(CC1)C 7a_100011725673_100000747449 [0,1,0,1,0,0|2,0,0]=4 8307 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,1,0,1,0,0|2,0,0]=4 8308 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [0,1,0,1,0,0|2,0,0]=4 8309 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [0,1,0,1,0,0|2,0,0]=4 8310 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|1,0,0]=3 8311 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|1,0,0]=3 8312 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 34a_100012184276_200025704644 [0,1,0,1,0,0|1,1,0]=4 8313 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 7a_100012184276_200025704644 [0,1,0,1,0,0|1,1,0]=4 8314 B10R1.473 COC1(CCC(=O)CC1)C 34a_100012184276_200000210301 [0,1,0,1,0,0|1,1,0]=4 8315 B10R1.473 COC1(CCC(=O)CC1)C 7a_100012184276_200000210301 [0,1,0,1,0,0|1,1,0]=4 8316 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,1,0,1,0,0|2,0,0]=4 8317 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|2,0,0]=4 8318 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|2,0,0]=4 8319 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|2,0,0]=4 8320 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,1,0,1,0,0|1,1,0]=4 8321 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,1,0,1,0,0|1,1,0]=4 8322 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,1,0,1,0,0|2,0,0]=4 8323 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,1,0,1,0,0|2,0,0]=4 8324 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [0,1,0,1,0,0|1,0,0]=3 8325 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 8326 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 8327 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 8328 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 8329 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,1,0,1,0,0|1,1,0]=4 8330 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,1,0,1,0,0|1,1,0]=4 8331 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,1,0,1,0,0|1,1,0]=4 8332 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,1,0,1,0,0|1,1,0]=4 8333 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,1,0,1,0,0|1,1,0]=4 8334 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,1,0,1,0,0|1,1,0]=4 8335 B10R1.27 CNC(=O)CC1CC=CC1 11a_106832991635_200000137526 [0,1,0,1,0,0|2,0,0]=4 8336 B10R1.27 CNC(=O)CC1CC=CC1 1626a_100102657272_200000137526 [0,1,0,1,0,0|2,0,0]=4 8337 B10R1.27 CNC(=O)CC1CC=CC1 240690a_100102657272_200000137526 [0,1,0,1,0,0|2,0,0]=4 8338 B10R1.27 CNC(=O)CC1CC=CC1 527a_100102657272_200000137526 [0,1,0,1,0,0|2,0,0]=4 8339 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|2,0,0]=4 8340 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 8341 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 8342 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 8343 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,1,0,1,0,0|1,1,0]=4 8344 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,1,0,1,0,0|1,1,0]=4 8345 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,1,0,1,0,0|1,1,0]=4 8346 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,1,0,1,0,0|1,1,0]=4 8347 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,1,0,1,0,0|2,0,0]=4 8348 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,1,0,1,0,0|2,0,0]=4 8349 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,1,0,1,0,0|2,0,0]=4 8350 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,1,0,1,0,0|2,0,0]=4 8351 B10R1.27 CNC(=O)CN1CCSC1 2230a_100011215254_100000183359 [0,1,0,1,0,0|1,0,0]=3 8352 B10R1.27 CNC(=O)CN1CCSC1 269982a_100011215254_100000183359 [0,1,0,1,0,0|1,0,0]=3 8353 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,1,0,0|2,0,0]=4 8354 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,1,0,0|2,0,0]=4 8355 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,1,0,0|2,0,0]=4 8356 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,1,0,0|2,0,0]=4 8357 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,1,0,0|2,0,0]=4 8358 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,1,0,0|2,0,0]=4 8359 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_100102657272_200015188469 [0,1,0,1,0,0|1,1,0]=4 8360 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_200015188469_106832991635 [0,1,0,1,0,0|1,1,0]=4 8361 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_100102657272_200015188469 [0,1,0,1,0,0|1,1,0]=4 8362 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100102657272 [0,1,0,1,0,0|1,1,0]=4 8363 B10R1.27 CNC(=O)N[C@@H]1CCOC1 512a_106832991638_200015188469 [0,1,0,1,0,0|1,1,0]=4 8364 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100015188467_106832991635 [0,1,0,1,0,0|1,1,0]=4 8365 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100102657272_100015188467 [0,1,0,1,0,0|1,1,0]=4 8366 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100015188467_100102657272 [0,1,0,1,0,0|1,1,0]=4 8367 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100102657272_100015188467 [0,1,0,1,0,0|1,1,0]=4 8368 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_100015188467_100102657272 [0,1,0,1,0,0|1,1,0]=4 8369 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_106832991638_100015188467 [0,1,0,1,0,0|1,1,0]=4 8370 B10R1.27 COC(=O)CN1CC=CC1 269982a_100015195280_100000747449 [0,1,0,1,0,0|1,0,1]=4 8371 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|1,0,0]=3 8372 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|1,0,0]=3 8373 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,1,0,1,0,0|0,0,0]=2 8374 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,1,0,1,0,0|0,0,0]=2 8375 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,1,0,0|1,1,0]=4 8376 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,1,0,0|1,1,0]=4 8377 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [0,1,0,1,0,0|1,0,1]=4 8378 B10R1.134 COC(=O)CC(=O)C1CO1 1458a_100000701028_100000747449 [0,1,0,1,0,0|0,1,1]=4 8379 B10R1.134 COC(=O)CN(C)C1CC1 2230a_100000226674_100000747449 [0,1,0,1,0,0|2,0,0]=4 8380 B10R1.134 COC(=O)CN(C)C1CC1 269982a_100000226674_100000747449 [0,1,0,1,0,0|2,0,0]=4 8381 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|2,0,0]=4 8382 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|2,0,0]=4 8383 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|2,0,0]=4 8384 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 8385 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 8386 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 8387 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 8388 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 8389 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 8390 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 8391 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,1,0,0|2,0,0]=4 8392 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|2,0,0]=4 8393 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 8394 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 8395 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 8396 B10R1.149 CNC(=O)C1CSCN1C 240690a_100102657272_100020666735 [0,1,0,1,0,0|2,0,0]=4 8397 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,1,0,0|2,0,0]=4 8398 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,1,0,0|2,0,0]=4 8399 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,1,0,0|2,0,0]=4 8400 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,1,0,0|2,0,0]=4 8401 B10R1.149 CNC(=O)N1CCSC1C 2708a_100102657272_200011216479 [0,1,0,1,0,0|2,0,0]=4 8402 B10R1.149 CNC(=O)N1CCSC1C 273464a_100102657272_200011216479 [0,1,0,1,0,0|2,0,0]=4 8403 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,1,0,1,0,0|2,0,0]=4 8404 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 8405 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,1,0,1,0,0|2,0,0]=4 8406 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 8407 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 8408 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,1,0,1,0,0|2,0,0]=4 8409 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 8410 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 8411 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 8412 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,1,0,1,0,0|1,0,0]=3 8413 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,1,0,1,0,0|1,0,0]=3 8414 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,1,0,1,0,0|1,0,0]=3 8415 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,1,0,1,0,0|1,0,0]=3 8416 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,1,0,1,0,0|1,0,0]=3 8417 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,1,0,1,0,0|1,0,0]=3 8418 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|1,0,0]=3 8419 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|1,0,0]=3 8420 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|1,0,0]=3 8421 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|1,0,0]=3 8422 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [0,1,0,1,0,0|2,0,0]=4 8423 B10R1.429 CCC(=O)CC1(COC1)C 1458a_100000210414_100000066812 [0,1,0,1,0,0|1,1,0]=4 8424 B10R1.1 C=C1CCN(CC1)CSC 2230a_100000752442_100011218213 [0,1,0,1,0,0|2,0,0]=4 8425 B10R1.1 C=C1CCN(CC1)CSC 269982a_100000752442_100011218213 [0,1,0,1,0,0|2,0,0]=4 8426 B10R1.1 C=C1CCN(CC1)CSC 34a_100000752442_100011218213 [0,1,0,1,0,0|2,0,0]=4 8427 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,1,0,1,0,0|2,0,0]=4 8428 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,1,0,1,0,0|2,0,0]=4 8429 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|1,1,0]=4 8430 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|1,1,0]=4 8431 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,1,0,1,0,0|1,1,0]=4 8432 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|1,1,0]=4 8433 B10R1.1 CSCN1CC=C(CC1)C 2230a_100000693516_100011218213 [0,1,0,1,0,0|2,0,0]=4 8434 B10R1.1 CSCN1CC=C(CC1)C 269982a_100000693516_100011218213 [0,1,0,1,0,0|2,0,0]=4 8435 B10R1.1 CSCN1CC=C(CC1)C 34a_100000693516_100011218213 [0,1,0,1,0,0|2,0,0]=4 8436 B10R1.1 CSCN1CCS(=O)CC1 2230a_100000752083_100011218213 [0,1,0,1,0,0|2,0,0]=4 8437 B10R1.1 CSCN1CCS(=O)CC1 269982a_100000752083_100011218213 [0,1,0,1,0,0|2,0,0]=4 8438 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,1,0,1,0,0|1,1,0]=4 8439 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,1,0,1,0,0|1,1,0]=4 8440 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [0,1,0,1,0,0|2,0,0]=4 8441 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,1,0,1,0,0|1,1,0]=4 8442 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|1,1,0]=4 8443 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|2,0,0]=4 8444 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|2,0,0]=4 8445 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|2,0,0]=4 8446 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|2,0,0]=4 8447 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|2,0,0]=4 8448 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|2,0,0]=4 8449 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 8450 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 8451 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|2,0,0]=4 8452 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|1,1,0]=4 8453 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|1,1,0]=4 8454 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|1,1,0]=4 8455 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,1,0,0|0,0,2]=4 8456 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,1,0,0|0,0,2]=4 8457 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|2,0,0]=4 8458 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|2,0,0]=4 8459 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|1,0,0]=3 8460 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|1,0,0]=3 8461 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|2,0,0]=4 8462 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|2,0,0]=4 8463 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|1,0,0]=3 8464 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|1,0,0]=3 8465 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,1,0,1,0,0|2,0,0]=4 8466 B10R1.16 COCCN1CNC(=O)C1 2230a_200000708111_100011201679 [0,1,0,1,0,0|1,1,0]=4 8467 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,1,0,1,0,0|1,1,0]=4 8468 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,1,0,1,0,0|1,1,0]=4 8469 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,1,0,1,0,0|1,0,0]=3 8470 B10R1.16 CSCCN1CNC(=O)C1 2230a_200000708111_100000751147 [0,1,0,1,0,0|1,0,0]=3 8471 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,1,0,1,0,0|1,0,0]=3 8472 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,1,0,0|1,0,0]=3 8473 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,1,0,1,0,0|1,0,0]=3 8474 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,1,0,1,0,0|1,0,0]=3 8475 B10R1.16 O=C1C=C(CO1)CSCF 62a_100000716558_100015361967 [0,1,0,1,0,0|0,0,2]=4 8476 B10R1.16 O=C1C=C(CO1)CSCF 62a_100015361967_100000716558 [0,1,0,1,0,0|0,0,2]=4 8477 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,1,0,1,0,0|2,0,0]=4 8478 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,1,0,1,0,0|1,1,0]=4 8479 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,1,0,0|2,0,0]=4 8480 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,1,0,0|2,0,0]=4 8481 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,1,0,1,0,0|2,0,0]=4 8482 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,1,0,1,0,0|2,0,0]=4 8483 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015307671_100015361967 [0,1,0,1,0,0|1,0,0]=3 8484 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015361967_100015307671 [0,1,0,1,0,0|1,0,0]=3 8485 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,1,0,1,0,0|1,0,0]=3 8486 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,1,0,1,0,0|1,0,0]=3 8487 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,1,0,1,0,0|1,0,0]=3 8488 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|2,0,0]=4 8489 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|2,0,0]=4 8490 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|2,0,0]=4 8491 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|2,0,0]=4 8492 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|2,0,0]=4 8493 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|2,0,0]=4 8494 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|1,0,0]=3 8495 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|1,0,0]=3 8496 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|1,1,0]=4 8497 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,1,0,0|1,1,0]=4 8498 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,1,0,0|1,1,0]=4 8499 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|1,0,0]=3 8500 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|1,0,0]=3 8501 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|1,0,0]=3 8502 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|1,0,0]=3 8503 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,1,0,1,0,0|1,0,0]=3 8504 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,1,0,1,0,0|1,0,0]=3 8505 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [0,1,0,1,0,0|1,0,1]=4 8506 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [0,1,0,1,0,0|1,0,1]=4 8507 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [0,1,0,1,0,0|1,0,1]=4 8508 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [0,1,0,1,0,0|1,0,1]=4 8509 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [0,1,0,1,0,0|1,0,1]=4 8510 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [0,1,0,1,0,0|1,0,1]=4 8511 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [0,1,0,1,0,0|1,0,1]=4 8512 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [0,1,0,1,0,0|1,0,1]=4 8513 B10R1.70 CSCCOCC1(CO1)C 34a_100000230434_100000760498 [0,1,0,1,0,0|1,0,1]=4 8514 B10R1.70 CSCCSCC1(CO1)C 62a_100000212216_100000760498 [0,1,0,1,0,0|1,0,1]=4 8515 B10R1.70 CSCCSCC1(CO1)C 62a_100000760498_100000751147 [0,1,0,1,0,0|1,0,1]=4 8516 B10R1.143 COC1CN(C1)CCSC 269982a_100000755009_100000212216 [0,1,0,1,0,0|1,0,1]=4 8517 B10R1.143 CO[C@H]1C[C@@H](C1)NCSC 2230a_100121570643_100011218213 [0,1,0,1,0,0|1,0,1]=4 8518 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|1,0,0]=3 8519 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|1,0,0]=3 8520 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [0,1,0,1,0,0|1,0,0]=3 8521 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|2,0,0]=4 8522 B10R1.23 C=C(C)C(=O)C1CCOC1 1458a_100000185857_100000690089 [0,1,0,1,0,0|1,1,0]=4 8523 B10R1.23 C=C(C)C(=O)N1CCSC1 11a_100011215254_100000185857 [0,1,0,1,0,0|2,0,0]=4 8524 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,1,0,0|2,0,0]=4 8525 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,1,0,0|2,0,0]=4 8526 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,1,0,1,0,0|1,1,0]=4 8527 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,1,0,1,0,0|1,1,0]=4 8528 B10R1.23 CC(C)C(=O)N1CCSC1 11a_100011215254_100000210198 [0,1,0,1,0,0|2,0,0]=4 8529 B10R1.23 CC(C)C(=O)N1CCSC1 240690a_100011215254_100000210198 [0,1,0,1,0,0|2,0,0]=4 8530 B10R1.23 CC(C)C(=O)N1CCSC1 527a_100011215254_100000210198 [0,1,0,1,0,0|2,0,0]=4 8531 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,1,0,0|2,0,0]=4 8532 B10R1.23 CC(F)C(=O)C1CCOC1 1458a_100000062450_100000690089 [0,1,0,1,0,0|1,1,0]=4 8533 B10R1.23 CC(F)C(=O)N1CCSC1 11a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 8534 B10R1.23 CC(F)C(=O)N1CCSC1 240690a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 8535 B10R1.23 CC(F)C(=O)N1CCSC1 527a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 8536 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,1,0,1,0,0|2,0,0]=4 8537 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,1,0,1,0,0|2,0,0]=4 8538 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,1,0,1,0,0|2,0,0]=4 8539 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,1,0,1,0,0|2,0,0]=4 8540 B10R1.23 CN(C)C(=O)C1CCOC1 11a_100102631434_100011219752 [0,1,0,1,0,0|1,1,0]=4 8541 B10R1.23 CN(C)C(=O)C1CCOC1 1626a_100102631434_100011219752 [0,1,0,1,0,0|1,1,0]=4 8542 B10R1.23 CN(C)C(=O)C1CCOC1 240690a_100102631434_100011219752 [0,1,0,1,0,0|1,1,0]=4 8543 B10R1.23 CN(C)C(=O)C1CCOC1 527a_100102631434_100011219752 [0,1,0,1,0,0|1,1,0]=4 8544 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|2,0,0]=4 8545 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,1,0,0|1,1,0]=4 8546 B10R1.23 C[C@@H](O)C(=O)N1CCSC1 240690a_100011215254_100000717761 [0,1,0,1,0,0|2,0,0]=4 8547 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|2,0,0]=4 8548 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,1,0,0|1,1,0]=4 8549 B10R1.23 C[C@H](O)C(=O)N1CCSC1 240690a_100011215254_217856618621 [0,1,0,1,0,0|2,0,0]=4 8550 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,1,0,1,0,0|2,0,0]=4 8551 B10R1.155 CCC1CC1C(=O)N(C)C 11a_100102631434_200011661523 [0,1,0,1,0,0|2,0,0]=4 8552 B10R1.155 CCC1CC1C(=O)N(C)C 1626a_100102631434_200011661523 [0,1,0,1,0,0|2,0,0]=4 8553 B10R1.155 CCC1CC1C(=O)N(C)C 240690a_100102631434_200011661523 [0,1,0,1,0,0|2,0,0]=4 8554 B10R1.155 CCC1CC1C(=O)N(C)C 527a_100102631434_200011661523 [0,1,0,1,0,0|2,0,0]=4 8555 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|2,0,0]=4 8556 B10R1.204 C=C(C)C(=O)CC1COC1 1458a_100000185857_100010264016 [0,1,0,1,0,0|1,1,0]=4 8557 B10R1.204 C=C(C)C(=O)NC1CSC1 11a_100016994217_100000185857 [0,1,0,1,0,0|2,0,0]=4 8558 B10R1.204 C=C(C)C(=O)NC1CSC1 1626a_100016994217_100000185857 [0,1,0,1,0,0|2,0,0]=4 8559 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,1,0,1,0,0|2,0,0]=4 8560 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,1,0,1,0,0|2,0,0]=4 8561 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000210198_100010264016 [0,1,0,1,0,0|1,1,0]=4 8562 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000687760_100000210206 [0,1,0,1,0,0|1,1,0]=4 8563 B10R1.204 CC(C)C(=O)NC1CSC1 11a_100016994217_100000210198 [0,1,0,1,0,0|2,0,0]=4 8564 B10R1.204 CC(C)C(=O)NC1CSC1 1626a_100016994217_100000210198 [0,1,0,1,0,0|2,0,0]=4 8565 B10R1.204 CC(C)C(=O)NC1CSC1 240690a_100016994217_100000210198 [0,1,0,1,0,0|2,0,0]=4 8566 B10R1.204 CC(C)C(=O)NC1CSC1 527a_100016994217_100000210198 [0,1,0,1,0,0|2,0,0]=4 8567 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,1,0,1,0,0|2,0,0]=4 8568 B10R1.204 CC(F)C(=O)CC1COC1 1458a_100000062450_100010264016 [0,1,0,1,0,0|1,1,0]=4 8569 B10R1.204 CC(F)C(=O)NC1CSC1 11a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 8570 B10R1.204 CC(F)C(=O)NC1CSC1 1626a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 8571 B10R1.204 CC(F)C(=O)NC1CSC1 240690a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 8572 B10R1.204 CC(F)C(=O)NC1CSC1 527a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 8573 B10R1.204 CN(C)C(=O)CC1CCC1 11a_100102631434_100000763092 [0,1,0,1,0,0|2,0,0]=4 8574 B10R1.204 CN(C)C(=O)CC1CCC1 1626a_100102631434_100000763092 [0,1,0,1,0,0|2,0,0]=4 8575 B10R1.204 CN(C)C(=O)CC1CCC1 240690a_100102631434_100000763092 [0,1,0,1,0,0|2,0,0]=4 8576 B10R1.204 CN(C)C(=O)CC1CCC1 527a_100102631434_100000763092 [0,1,0,1,0,0|2,0,0]=4 8577 B10R1.204 CN(C)C(=O)CC1COC1 11a_100102631434_100000687760 [0,1,0,1,0,0|1,1,0]=4 8578 B10R1.204 CN(C)C(=O)CC1COC1 1626a_100102631434_100000687760 [0,1,0,1,0,0|1,1,0]=4 8579 B10R1.204 CN(C)C(=O)NC1CSC1 2708a_100016994217_100102631434 [0,1,0,1,0,0|2,0,0]=4 8580 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|2,0,0]=4 8581 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,1,0,1,0,0|1,1,0]=4 8582 B10R1.204 C[C@@H](O)C(=O)NC1CSC1 240690a_100016994217_100000717761 [0,1,0,1,0,0|2,0,0]=4 8583 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|2,0,0]=4 8584 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,1,0,1,0,0|1,1,0]=4 8585 B10R1.204 C[C@H](O)C(=O)NC1CSC1 1626a_100016994217_217856618621 [0,1,0,1,0,0|2,0,0]=4 8586 B10R1.204 C[C@H](O)C(=O)NC1CSC1 240690a_100016994217_217856618621 [0,1,0,1,0,0|2,0,0]=4 8587 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|2,0,0]=4 8588 B10R1.205 C=C(C)C(=O)CCC1CO1 1458a_100000185857_100000732470 [0,1,0,1,0,0|1,1,0]=4 8589 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|2,0,0]=4 8590 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|2,0,0]=4 8591 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,1,0,1,0,0|1,1,0]=4 8592 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,1,0,1,0,0|2,0,0]=4 8593 B10R1.205 CC(F)C(=O)CCC1CO1 1458a_100000062450_100000732470 [0,1,0,1,0,0|1,1,0]=4 8594 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 8595 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 8596 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 8597 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 8598 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|2,0,0]=4 8599 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,1,0,1,0,0|1,1,0]=4 8600 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|2,0,0]=4 8601 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,1,0,1,0,0|1,1,0]=4