0 B12R0.206 C/C=C/C=C/COC(C)CCCC 34a_100016283227_200011215066 [0,0,0,0,0,0|1,0,3]=4 1 B12R0.206 C/C=C/COCOC(=O)OCCC 34a_100016270725_200000139673 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.206 C/C=C/CSCOC(=O)OCCC 62a_100102629194_200000139673 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.206 C=CCCC(C)OCC/C=C\CC 34a_100000765329_100015370543 [0,0,0,0,0,0|1,0,3]=4 4 B12R0.206 C=CCCC(C)OCC/C=C\CC 7a_100000765329_100015370543 [0,0,0,0,0,0|1,0,3]=4 5 B12R0.206 CC/C=C\CCNC(C)CCCC 2230a_100000126638_100015370543 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100000687866_100015370543 [0,0,0,0,0,0|1,0,1]=2 7 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100016288707_200011215066 [0,0,0,0,0,0|1,0,1]=2 8 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100000687866_100015370543 [0,0,0,0,0,0|1,0,1]=2 9 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100016288707_200011215066 [0,0,0,0,0,0|1,0,1]=2 10 B12R0.206 CC/C=C\CCOC(C)CCCCl 34a_200000718107_100015370543 [0,0,0,0,0,0|2,0,1]=3 11 B12R0.206 CC/C=C\CCOC(C)CCCCl 7a_200000718107_100015370543 [0,0,0,0,0,0|2,0,1]=3 12 B12R0.206 CC/C=C\CCOC(C)COCC 34a_100000718985_100015370543 [0,0,0,0,0,0|2,0,1]=3 13 B12R0.206 CC/C=C\CCOC(C)COCC 7a_100000718985_100015370543 [0,0,0,0,0,0|2,0,1]=3 14 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_100015370543_200011215066 [0,0,0,0,0,0|1,1,1]=3 15 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_200011215066_100015370543 [0,0,0,0,0,0|1,1,1]=3 16 B12R0.206 CC/C=C\CNCC(=O)NCCC 2230a_100000174927_100103147603 [0,0,0,0,0,0|3,0,0]=3 17 B12R0.206 CC/C=C\CNCC(=O)NCCF 2230a_100000725713_100103147603 [0,0,0,0,0,0|4,0,0]=4 18 B12R0.206 CC/C=C\COCC(=O)NCCC 34a_100016268518_100000183358 [0,0,0,0,0,0|3,0,0]=3 19 B12R0.206 CC/C=C\COCC(=O)OCCC 34a_100016268518_200011215008 [0,0,0,0,0,0|3,0,0]=3 20 B12R0.206 CC/C=C\COCC(C)CCCC 34a_100011995851_100103147603 [0,0,0,0,0,0|3,0,1]=4 21 B12R0.206 CC/C=C\COCC(C)CCCC 7a_100011995851_100103147603 [0,0,0,0,0,0|3,0,1]=4 22 B12R0.206 CC/C=C\COC[C@@H](N)CCCC 34a_100011934283_100103147603 [0,0,0,0,0,0|3,0,1]=4 23 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100000183358_100103147603 [0,0,0,0,0,0|3,0,0]=3 24 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100103147603_100000183358 [0,0,0,0,0,0|3,0,0]=3 25 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_100103147603_200011215008 [0,0,0,0,0,0|3,0,0]=3 26 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_200011215008_100103147603 [0,0,0,0,0,0|3,0,0]=3 27 B12R0.206 CC=C=CCCOC(C)CCCC 34a_100011020354_200011215066 [0,0,0,0,0,0|1,0,3]=4 28 B12R0.206 CC=CCCCOC(C)CCCC 34a_100020645299_200011215066 [0,0,0,0,0,0|1,0,3]=4 29 B12R0.206 CC=CCSCOC(=O)OCCC 62a_100000070051_200000139673 [0,0,0,0,0,0|2,0,2]=4 30 B12R0.206 CCC#CC(C)OCC/C=C\CC 34a_100000033903_100015370543 [0,0,0,0,0,0|1,0,3]=4 31 B12R0.206 CCC#CC(C)OCC/C=C\CC 7a_100000033903_100015370543 [0,0,0,0,0,0|1,0,3]=4 32 B12R0.206 CCC#CCCOC(C)CCCC 34a_100000036655_200011215066 [0,0,0,0,0,0|1,0,3]=4 33 B12R0.206 CCC#CCCOC(C)CCCC 7a_100000036655_200011215066 [0,0,0,0,0,0|1,0,3]=4 34 B12R0.206 CCC/C=C/C=CC(=O)CCCC 1458a_200016258893_100000210211 [0,0,0,0,0,0|1,0,3]=4 35 B12R0.206 CCC/C=C/COC(C)CCCC 34a_100016278788_200011215066 [0,0,0,0,0,0|1,0,3]=4 36 B12R0.206 CCC/C=C/COC(C)CCCC 7a_100016278788_200011215066 [0,0,0,0,0,0|1,0,3]=4 37 B12R0.206 CCC=CC=NNC(=O)CCCC 4a_100000189769_100011216943 [0,0,0,0,0,0|2,0,1]=3 38 B12R0.206 CCC=CC=NNC(=O)CCOC 4a_100011260505_100011216943 [0,0,0,0,0,0|3,0,1]=4 39 B12R0.206 CCC=CC=NNC(=O)COCC 4a_100000216846_100011216943 [0,0,0,0,0,0|3,0,1]=4 40 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,0,0,0,0,0|2,0,2]=4 41 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,0,0,0,0,0|2,0,2]=4 42 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,0,0,0,0,0|2,0,2]=4 43 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,0,0,0,0,0|2,0,2]=4 44 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,0,0,0,0,0|2,0,2]=4 45 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,0,0,0,0,0|2,0,1]=3 46 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,0,0,0,0,0|2,0,1]=3 47 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,0,0,0,0,0|2,0,1]=3 48 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,0,0,0,0,0|2,0,1]=3 49 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,0,0,0,0,0|2,0,1]=3 50 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,0,0,0,0,0|2,0,1]=3 51 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,0,0,0,0,0|2,0,1]=3 52 B12R0.206 CCCCC(=O)NCCOCCO 240690a_100000211614_100000210183 [0,0,0,0,0,0|3,0,1]=4 53 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,0,0,0,0,0|2,0,1]=3 54 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,0,0,0,0,0|2,0,1]=3 55 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,0,0,0,0,0|2,0,1]=3 56 B12R0.206 CCCCC(=O)NCCSCCO 240690a_100011219999_100000210183 [0,0,0,0,0,0|3,0,1]=4 57 B12R0.206 CCCCC(=O)NCCSCCO 527a_100011219999_100000210183 [0,0,0,0,0,0|3,0,1]=4 58 B12R0.206 CCCCC(=O)NNCCOCC 22a_100000732670_100000210183 [0,0,0,0,0,0|3,0,1]=4 59 B12R0.206 CCCCC(C)OCCCOCC 34a_100000687866_100012232248 [0,0,0,0,0,0|2,0,2]=4 60 B12R0.206 CCCCC(C)OCCCOCC 34a_100000757476_200011215066 [0,0,0,0,0,0|2,0,2]=4 61 B12R0.206 CCCCC(C)OCCCOCC 7a_100000687866_100012232248 [0,0,0,0,0,0|2,0,2]=4 62 B12R0.206 CCCCC(C)OCCCOCC 7a_100000757476_200011215066 [0,0,0,0,0,0|2,0,2]=4 63 B12R0.206 CCCCC(C)OCCCSCC 34a_100011216438_200011215066 [0,0,0,0,0,0|2,0,2]=4 64 B12R0.206 CCCCC(C)OCCCSCC 7a_100011216438_200011215066 [0,0,0,0,0,0|2,0,2]=4 65 B12R0.206 CCCCC(C)OCCOCCC 34a_100000687866_100011215938 [0,0,0,0,0,0|2,0,2]=4 66 B12R0.206 CCCCC(C)OCCOCCC 34a_100000752267_200011215066 [0,0,0,0,0,0|2,0,2]=4 67 B12R0.206 CCCCC(C)OCCOCCC 7a_100000687866_100011215938 [0,0,0,0,0,0|2,0,2]=4 68 B12R0.206 CCCCC(C)OCCOCCC 7a_100000752267_200011215066 [0,0,0,0,0,0|2,0,2]=4 69 B12R0.206 CCCCC(C)OCCSCCC 34a_200000230433_200011215066 [0,0,0,0,0,0|2,0,2]=4 70 B12R0.206 CCCCC(C)OCCSCCC 7a_200000230433_200011215066 [0,0,0,0,0,0|2,0,2]=4 71 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,0,0,0,0,0|1,0,3]=4 72 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,0,0,0,0,0|1,0,3]=4 73 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,0,0,0,0,0|1,0,2]=3 74 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,0,0,0,0,0|1,0,2]=3 75 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,0,0,0,0,0|2,0,2]=4 76 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,0,0,0,0,0|2,0,2]=4 77 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,0,0,0,0,0|2,0,2]=4 78 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,0,0,0,0,0|2,0,2]=4 79 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,0,0,0,0,0|2,0,2]=4 80 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,0,0,0,0,0|2,0,2]=4 81 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,0,0,0,0,0|2,0,2]=4 82 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,0,0,0,0,0|2,0,2]=4 83 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,0,0,0,0,0|2,0,2]=4 84 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,0,0,0,0,0|2,0,2]=4 85 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,0,0,0,0,0|2,0,2]=4 86 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,0,0,0,0,0|2,0,2]=4 87 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,0,0,0,0,0|1,0,2]=3 88 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,0,0,0,0,0|1,0,2]=3 89 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,0,0,0,0,0|1,0,2]=3 90 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,0,0,0,0,0|1,0,2]=3 91 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,0,0,0,0,0|2,0,2]=4 92 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,0,0,0,0,0|2,0,2]=4 93 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,0,0,0,0,0|2,0,2]=4 94 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,0,0,0,0,0|2,0,2]=4 95 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,0,0,0,0,0|2,0,2]=4 96 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,0,0,0,0,0|2,0,2]=4 97 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,0,0,0,0,0|2,0,2]=4 98 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,0,0,0,0,0|2,0,2]=4 99 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,0,0,0,0,0|2,0,2]=4 100 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,0,0,0,0,0|2,0,2]=4 101 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,0,0,0,0,0|2,0,2]=4 102 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,0,0,0,0,0|2,0,2]=4 103 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,0,0,0,0,0|2,0,2]=4 104 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,0,0,0,0,0|2,0,2]=4 105 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,0,0,0,0,0|2,0,2]=4 106 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,0,0,0,0,0|2,0,2]=4 107 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,0,0,0,0,0|2,0,2]=4 108 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,0,0,0,0,0|2,0,2]=4 109 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,0,0,0,0,0|2,0,2]=4 110 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,0,0,0,0,0|2,0,2]=4 111 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,0,0,0,0,0|2,0,2]=4 112 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,0,0,0,0,0|2,0,2]=4 113 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,0,0,0,0,0|2,0,2]=4 114 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,0,0,0,0,0|2,0,2]=4 115 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,0,0,0,0,0|2,0,2]=4 116 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,0,0,0,0,0|1,0,3]=4 117 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,0,0,0,0,0|1,0,3]=4 118 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,0,0,0,0,0|1,0,3]=4 119 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,0,0,0,0,0|1,0,3]=4 120 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,0,0,0,0,0|2,0,2]=4 121 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,0,0,0,0,0|2,0,2]=4 122 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,0,0,0,0,0|2,0,2]=4 123 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,0,0,0,0,0|2,0,2]=4 124 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,0,0,0,0,0|2,0,2]=4 125 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,0,0,0,0,0|2,0,2]=4 126 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,0,0,0,0,0|3,0,1]=4 127 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,0,0,0,0,0|3,0,1]=4 128 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100000210961_100020643023 [0,0,0,0,0,0|3,0,1]=4 129 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100020643023_100000210961 [0,0,0,0,0,0|3,0,1]=4 130 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100000210961_100020643023 [0,0,0,0,0,0|3,0,1]=4 131 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100020643023_100000210961 [0,0,0,0,0,0|3,0,1]=4 132 B12R0.206 CCCNC(=O)NCCCOCC 512a_100000210961_100020643023 [0,0,0,0,0,0|3,0,1]=4 133 B12R0.206 CCCNC(=O)NCCCOCC 512a_100020643023_100000210961 [0,0,0,0,0,0|3,0,1]=4 134 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100020643023_100161115042 [0,0,0,0,0,0|3,0,1]=4 135 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100161115042_100020643023 [0,0,0,0,0,0|3,0,1]=4 136 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100020643023_100161115042 [0,0,0,0,0,0|3,0,1]=4 137 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100161115042_100020643023 [0,0,0,0,0,0|3,0,1]=4 138 B12R0.206 CCCNC(=O)NCCOCCC 512a_100020643023_100161115042 [0,0,0,0,0,0|3,0,1]=4 139 B12R0.206 CCCNC(=O)NCCOCCC 512a_100161115042_100020643023 [0,0,0,0,0,0|3,0,1]=4 140 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020603323_100020643023 [0,0,0,0,0,0|3,0,1]=4 141 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020643023_100020603323 [0,0,0,0,0,0|3,0,1]=4 142 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020603323_100020643023 [0,0,0,0,0,0|3,0,1]=4 143 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020643023_100020603323 [0,0,0,0,0,0|3,0,1]=4 144 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020603323_100020643023 [0,0,0,0,0,0|3,0,1]=4 145 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020643023_100020603323 [0,0,0,0,0,0|3,0,1]=4 146 B12R0.206 CCCOC(=O)OCSCOCC 62a_100000739092_200000139673 [0,0,0,0,0,0|3,0,1]=4 147 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,0,0,0,0,0|3,0,1]=4 148 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,0,0,0,0,0|3,0,1]=4 149 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,0,0,0,0,0|3,0,1]=4 150 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,0,0,0,0,0|3,0,1]=4 151 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,0,0,0,0,0|3,0,1]=4 152 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,0,0,0,0,0|3,0,1]=4 153 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,0,0,0,0,0|3,0,1]=4 154 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,0,0,0,0,0|3,0,1]=4 155 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,0,0,0,0,0|3,0,1]=4 156 B12R0.206 CCCOCCNC(=O)CSCC 1626a_100161115042_100000230394 [0,0,0,0,0,0|3,0,1]=4 157 B12R0.206 CCCOCCNC(=O)CSCC 240690a_100161115042_100000230394 [0,0,0,0,0,0|3,0,1]=4 158 B12R0.206 CCCOCCNC(=O)CSCC 527a_100161115042_100000230394 [0,0,0,0,0,0|3,0,1]=4 159 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,0,0,0,0,0|3,0,1]=4 160 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,0,0,0,0,0|3,0,1]=4 161 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,0,0,0,0,0|3,0,1]=4 162 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,0,0,0,0,0|3,0,1]=4 163 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,0,0,0,0,0|3,0,1]=4 164 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,0,0,0,0,0|3,0,1]=4 165 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,0,0,0,0,0|3,0,1]=4 166 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,0,0,0,0,0|3,0,1]=4 167 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,0,0,0,0,0|3,0,1]=4 168 B12R0.206 CCCSCCNC(=O)CSCC 11a_100020603323_100000230394 [0,0,0,0,0,0|3,0,1]=4 169 B12R0.206 CCCSCCNC(=O)CSCC 240690a_100020603323_100000230394 [0,0,0,0,0,0|3,0,1]=4 170 B12R0.206 CCCSCCNC(=O)CSCC 527a_100020603323_100000230394 [0,0,0,0,0,0|3,0,1]=4 171 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,0,0,0,0,0|3,0,1]=4 172 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,0,0,0,0,0|3,0,1]=4 173 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,0,0,0,0,0|3,0,1]=4 174 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,0,0,0,0,0|3,0,1]=4 175 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,0,0,0,0,0|3,0,1]=4 176 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,0,0,0,0,0|3,0,1]=4 177 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,0,0,0,0,0|3,0,1]=4 178 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,0,0,0,0,0|3,0,1]=4 179 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,0,0,0,0,0|3,0,1]=4 180 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,0,0,0,0,0|3,0,1]=4 181 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,0,0,0,0,0|3,0,1]=4 182 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,0,0,0,0,0|3,0,1]=4 183 B12R0.206 CCOCCCNC(=O)CSCC 11a_100000210961_100000230394 [0,0,0,0,0,0|3,0,1]=4 184 B12R0.206 CCOCCCNC(=O)CSCC 1626a_100000210961_100000230394 [0,0,0,0,0,0|3,0,1]=4 185 B12R0.206 CCOCCCNC(=O)CSCC 240690a_100000210961_100000230394 [0,0,0,0,0,0|3,0,1]=4 186 B12R0.206 CCOCCCNC(=O)CSCC 527a_100000210961_100000230394 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.3 C#CCCCOCC/C=C\CC 34a_100000215630_100015370543 [1,0,0,0,0,0|0,0,3]=4 188 B11R0.3 C#CCCCOCC/C=C\CC 34a_100016288707_100000695029 [1,0,0,0,0,0|0,0,3]=4 189 B11R0.3 C#CCCCOCC/C=C\CC 7a_100000215630_100015370543 [1,0,0,0,0,0|0,0,3]=4 190 B11R0.3 C#CCCCOCC/C=C\CC 7a_100016288707_100011215417 [1,0,0,0,0,0|0,0,3]=4 191 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [1,0,0,0,0,0|0,0,3]=4 192 B11R0.3 C/C=C/CCOCC/C=C\CC 34a_100016278192_100015370543 [1,0,0,0,0,0|0,0,3]=4 193 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [1,0,0,0,0,0|0,0,3]=4 194 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [1,0,0,0,0,0|0,0,3]=4 195 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [1,0,0,0,0,0|0,0,3]=4 196 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [1,0,0,0,0,0|0,0,3]=4 197 B11R0.3 CC#CCCOCC/C=C\CC 34a_100000750427_100015370543 [1,0,0,0,0,0|0,0,3]=4 198 B11R0.3 CC/C=C/CC/C=C/COCC 34a_100016264143_100000210202 [1,0,0,0,0,0|2,0,0]=3 199 B11R0.3 CC/C=C/CC/C=C/COCC 7a_100016264143_100000210202 [1,0,0,0,0,0|2,0,0]=3 200 B11R0.3 CC/C=C/CC/C=C/COCF 34a_100016264143_100015361967 [1,0,0,0,0,0|3,0,0]=4 201 B11R0.3 CC/C=C/CC/C=C/COCF 7a_100016264143_100015361967 [1,0,0,0,0,0|3,0,0]=4 202 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,0,0,0,0,0|2,0,0]=3 203 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,0,0,0,0,0|2,0,0]=3 204 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [1,0,0,0,0,0|3,0,0]=4 205 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [1,0,0,0,0,0|3,0,0]=4 206 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [1,0,0,0,0,0|3,0,0]=4 207 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [1,0,0,0,0,0|3,0,0]=4 208 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [1,0,0,0,0,0|3,0,0]=4 209 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [1,0,0,0,0,0|3,0,0]=4 210 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [1,0,0,0,0,0|3,0,0]=4 211 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [1,0,0,0,0,0|3,0,0]=4 212 B11R0.3 CC/C=C\CCC=NNCCC 4a_100000740057_100016279218 [1,0,0,0,0,0|3,0,0]=4 213 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,0,0,0,0,0|2,0,1]=4 214 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,0,0,0,0,0|2,0,1]=4 215 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,0,0,0,0,0|2,0,1]=4 216 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,0,0,0,0,0|2,0,1]=4 217 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,0,0,0,0,0|2,0,1]=4 218 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,0,0,0,0,0|1,0,1]=3 219 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [1,0,0,0,0,0|2,0,1]=4 220 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [1,0,0,0,0,0|2,0,1]=4 221 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [1,0,0,0,0,0|2,0,1]=4 222 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [1,0,0,0,0,0|2,0,1]=4 223 B11R0.3 CC/C=C\CCNCCOCC 2230a_102516460346_100015370543 [1,0,0,0,0,0|2,0,1]=4 224 B11R0.3 CC/C=C\CCNCCOCC 34a_102516460346_100015370543 [1,0,0,0,0,0|2,0,1]=4 225 B11R0.3 CC/C=C\CCNCCSCC 2230a_100000106463_100015370543 [1,0,0,0,0,0|2,0,1]=4 226 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016268518_100015370543 [1,0,0,0,0,0|0,0,3]=4 227 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016288707_100103147603 [1,0,0,0,0,0|0,0,3]=4 228 B11R0.3 CC/C=C\CCOC/C=C\CC 7a_100016288707_100103147603 [1,0,0,0,0,0|0,0,3]=4 229 B11R0.3 CC/C=C\CCOCCCC#N 7a_100016288707_100000687738 [1,0,0,0,0,0|1,0,2]=4 230 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [1,0,0,0,0,0|1,0,2]=4 231 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [1,0,0,0,0,0|1,0,1]=3 232 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,0,0,0,0,0|0,0,1]=2 233 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,0,0,0,0,0|0,0,1]=2 234 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,0,0,0,0,0|0,0,1]=2 235 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,0,0,0,0,0|0,0,1]=2 236 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [1,0,0,0,0,0|1,0,1]=3 237 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [1,0,0,0,0,0|1,0,1]=3 238 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [1,0,0,0,0,0|1,0,1]=3 239 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [1,0,0,0,0,0|1,0,1]=3 240 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [1,0,0,0,0,0|1,0,1]=3 241 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [1,0,0,0,0,0|1,0,1]=3 242 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [1,0,0,0,0,0|1,0,1]=3 243 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [1,0,0,0,0,0|1,0,1]=3 244 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [1,0,0,0,0,0|1,0,1]=3 245 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [1,0,0,0,0,0|1,0,1]=3 246 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [1,0,0,0,0,0|1,0,1]=3 247 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [1,0,0,0,0,0|1,0,1]=3 248 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [1,0,0,0,0,0|1,0,1]=3 249 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [1,0,0,0,0,0|1,0,1]=3 250 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [1,0,0,0,0,0|1,0,1]=3 251 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [1,0,0,0,0,0|1,0,1]=3 252 B11R0.3 CC/C=C\CCOCCOCC 34a_100000210136_100015370543 [1,0,0,0,0,0|1,0,1]=3 253 B11R0.3 CC/C=C\CCOCCOCC 34a_100016288707_100000210147 [1,0,0,0,0,0|1,0,1]=3 254 B11R0.3 CC/C=C\CCOCCOCC 7a_100000210136_100015370543 [1,0,0,0,0,0|1,0,1]=3 255 B11R0.3 CC/C=C\CCOCCOCC 7a_100016288707_100011215890 [1,0,0,0,0,0|1,0,1]=3 256 B11R0.3 CC/C=C\CCOCCSCC 34a_100000212035_100015370543 [1,0,0,0,0,0|1,0,1]=3 257 B11R0.3 CC/C=C\CCOCCSCC 34a_100016288707_100000757381 [1,0,0,0,0,0|1,0,1]=3 258 B11R0.3 CC/C=C\CCOCCSCC 7a_100000212035_100015370543 [1,0,0,0,0,0|1,0,1]=3 259 B11R0.3 CC/C=C\CCOCCSCC 7a_100016288707_100000757381 [1,0,0,0,0,0|1,0,1]=3 260 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,0,0,0,0,0|0,1,1]=3 261 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,0,0,0,0,0|0,1,1]=3 262 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [1,0,0,0,0,0|1,1,1]=4 263 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [1,0,0,0,0,0|1,1,1]=4 264 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [1,0,0,0,0,0|1,1,1]=4 265 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [1,0,0,0,0,0|1,1,1]=4 266 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [1,0,0,0,0,0|1,1,1]=4 267 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [1,0,0,0,0,0|1,1,1]=4 268 B11R0.3 CC/C=C\CCSCCOCC 62a_100000210147_100015370543 [1,0,0,0,0,0|1,1,1]=4 269 B11R0.3 CC/C=C\CCSCCOCC 62a_100015370543_100011215890 [1,0,0,0,0,0|1,1,1]=4 270 B11R0.3 CC/C=C\CCSCCSCC 62a_100000757381_100015370543 [1,0,0,0,0,0|1,1,1]=4 271 B11R0.3 CC/C=C\CCSCCSCC 62a_100015370543_100000757381 [1,0,0,0,0,0|1,1,1]=4 272 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,0,0,0,0,0|2,0,1]=4 273 B11R0.3 CC/C=C\COC/C=C/CCC 34a_100016278788_100103147603 [1,0,0,0,0,0|2,0,1]=4 274 B11R0.3 CC/C=C\COC/C=C/CCC 7a_100016278788_100103147603 [1,0,0,0,0,0|2,0,1]=4 275 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,0,0,0,0,0|2,0,1]=4 276 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,0,0,0,0,0|2,0,1]=4 277 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,0,0,0,0,0|2,0,1]=4 278 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [1,0,0,0,0,0|3,0,0]=4 279 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,0,0,0,0,0|2,0,1]=4 280 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,0,0,0,0,0|2,0,1]=4 281 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [1,0,0,0,0,0|3,0,0]=4 282 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [1,0,0,0,0,0|3,0,0]=4 283 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [1,0,0,0,0,0|0,0,3]=4 284 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,0,0,0,0,0|0,0,3]=4 285 B11R0.3 CCC#CCCOCCCCC 34a_100000036655_100000718602 [1,0,0,0,0,0|0,0,3]=4 286 B11R0.3 CCC#CCCOCCCCC 7a_100000036655_100000210326 [1,0,0,0,0,0|0,0,3]=4 287 B11R0.3 CCC#CCOCC/C=C\CC 34a_100000032950_100015370543 [1,0,0,0,0,0|0,0,3]=4 288 B11R0.3 CCC#CCOCC/C=C\CC 34a_100016288707_100009813939 [1,0,0,0,0,0|0,0,3]=4 289 B11R0.3 CCC#CCOCC/C=C\CC 7a_100016288707_100009813939 [1,0,0,0,0,0|0,0,3]=4 290 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [1,0,0,0,0,0|0,0,3]=4 291 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [1,0,0,0,0,0|0,0,3]=4 292 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [1,0,0,0,0,0|2,0,1]=4 293 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [1,0,0,0,0,0|2,0,1]=4 294 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,0,0,0,0,0|0,0,3]=4 295 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,0,0,0,0,0|0,0,3]=4 296 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,0,0,0,0,0|0,0,3]=4 297 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,0,0,0,0,0|0,0,3]=4 298 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,0,0,0,0,0|1,0,2]=4 299 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,0,0,0,0,0|1,0,2]=4 300 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,0,0,0,0,0|1,0,2]=4 301 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,0,0,0,0,0|1,0,2]=4 302 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,0,0,0,0,0|1,0,2]=4 303 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,0,0,0,0,0|1,0,2]=4 304 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,0,0,0,0,0|1,0,2]=4 305 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,0,0,0,0,0|1,0,2]=4 306 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,0,0,0,0,0|1,0,2]=4 307 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,0,0,0,0,0|1,0,2]=4 308 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,0,0,0,0,0|1,0,2]=4 309 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,0,0,0,0,0|1,0,2]=4 310 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [1,0,0,0,0,0|1,0,2]=4 311 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [1,0,0,0,0,0|1,0,2]=4 312 B11R0.4 C/C=C/COCOC(=O)CCC 34a_100016270725_100000034017 [1,0,0,0,0,0|1,0,2]=4 313 B11R0.4 C/C=C/CSCOC(=O)CCC 62a_100102629194_100000034017 [1,0,0,0,0,0|1,0,2]=4 314 B11R0.4 CC/C=C\CCNC(C)CCC 2230a_100000741246_100015370543 [1,0,0,0,0,0|2,0,1]=4 315 B11R0.4 CC/C=C\CCOC(C)CCBr 34a_100012276601_100015370543 [1,0,0,0,0,0|2,0,1]=4 316 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [1,0,0,0,0,0|1,0,1]=3 317 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [1,0,0,0,0,0|1,0,1]=3 318 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [1,0,0,0,0,0|1,0,1]=3 319 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [1,0,0,0,0,0|1,0,1]=3 320 B11R0.4 CC/C=C\CCOC(C)CCO 34a_100016288707_100009893172 [1,0,0,0,0,0|2,0,1]=4 321 B11R0.4 CC/C=C\CCOC(C)CCO 7a_100016288707_100009893172 [1,0,0,0,0,0|2,0,1]=4 322 B11R0.4 CC/C=C\CCOC(C)COC 34a_100016288707_100000765312 [1,0,0,0,0,0|2,0,1]=4 323 B11R0.4 CC/C=C\CCOC(C)COC 7a_100016288707_100000765312 [1,0,0,0,0,0|2,0,1]=4 324 B11R0.4 CC/C=C\CCO[C@H](C)COC 34a_100011934205_100015370543 [1,0,0,0,0,0|2,0,1]=4 325 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100000766640_100015370543 [1,0,0,0,0,0|1,1,1]=4 326 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100015370543_100000766640 [1,0,0,0,0,0|1,1,1]=4 327 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [1,0,0,0,0,0|3,0,0]=4 328 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [1,0,0,0,0,0|3,0,0]=4 329 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [1,0,0,0,0,0|3,0,0]=4 330 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [1,0,0,0,0,0|2,0,0]=3 331 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [1,0,0,0,0,0|2,0,0]=3 332 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [1,0,0,0,0,0|3,0,0]=4 333 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [1,0,0,0,0,0|3,0,0]=4 334 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [1,0,0,0,0,0|3,0,0]=4 335 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [1,0,0,0,0,0|3,0,0]=4 336 B11R0.4 CC=CCSCOC(=O)CCC 62a_100000070051_100000034017 [1,0,0,0,0,0|1,0,2]=4 337 B11R0.4 CCC=CC=NNC(=O)CCC 4a_100000189770_100011216943 [1,0,0,0,0,0|2,0,1]=4 338 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [1,0,0,0,0,0|2,0,1]=4 339 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [1,0,0,0,0,0|2,0,1]=4 340 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [1,0,0,0,0,0|2,0,1]=4 341 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [1,0,0,0,0,0|2,0,1]=4 342 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [1,0,0,0,0,0|2,0,1]=4 343 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,0,0,0,0,0|1,0,2]=4 344 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,0,0,0,0,0|1,0,2]=4 345 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [1,0,0,0,0,0|1,0,2]=4 346 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [1,0,0,0,0,0|1,0,2]=4 347 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [1,0,0,0,0,0|1,0,2]=4 348 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [1,0,0,0,0,0|1,0,2]=4 349 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [1,0,0,0,0,0|1,0,2]=4 350 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [1,0,0,0,0,0|1,0,2]=4 351 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [1,0,0,0,0,0|1,0,2]=4 352 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [1,0,0,0,0,0|2,0,1]=4 353 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [1,0,0,0,0,0|2,0,1]=4 354 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [1,0,0,0,0,0|2,0,1]=4 355 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [1,0,0,0,0,0|2,0,1]=4 356 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [1,0,0,0,0,0|2,0,1]=4 357 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [1,0,0,0,0,0|2,0,1]=4 358 B11R0.81 C#CCCC(=O)CC/C=C\CC 1458a_100000692101_100015370543 [1,0,0,0,0,0|0,0,2]=3 359 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [1,0,0,0,0,0|1,0,1]=3 360 B11R0.81 C/C=C/COCC(=O)NCCC 34a_100016270725_100000183358 [1,0,0,0,0,0|3,0,0]=4 361 B11R0.81 C/C=C/COCC(=O)OCCC 34a_100016270725_200011215008 [1,0,0,0,0,0|3,0,0]=4 362 B11R0.81 C/C=C/CSCC(=O)NCCC 62a_100000183358_100102629194 [1,0,0,0,0,0|3,0,0]=4 363 B11R0.81 C/C=C/CSCC(=O)NCCC 62a_100102629194_100000183358 [1,0,0,0,0,0|3,0,0]=4 364 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_100102629194_200011215008 [1,0,0,0,0,0|3,0,0]=4 365 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_200011215008_100102629194 [1,0,0,0,0,0|3,0,0]=4 366 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [1,0,0,0,0,0|0,0,2]=3 367 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [1,0,0,0,0,0|1,0,2]=4 368 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [1,0,0,0,0,0|1,0,2]=4 369 B11R0.81 C=CCCCNC(=O)CCCC 11a_100000700776_100000210183 [1,0,0,0,0,0|1,0,2]=4 370 B11R0.81 C=CCCCNC(=O)CCCC 1626a_100000700776_100000210183 [1,0,0,0,0,0|1,0,2]=4 371 B11R0.81 C=CCCCNC(=O)CCCC 240690a_100000700776_100000210183 [1,0,0,0,0,0|1,0,2]=4 372 B11R0.81 C=CCCCNC(=O)CCCC 527a_100000700776_100000210183 [1,0,0,0,0,0|1,0,2]=4 373 B11R0.81 CC/C=C\CCC(=O)C#CCO 1458a_100000049017_100015370543 [1,0,0,0,0,0|1,0,2]=4 374 B11R0.81 CC/C=C\CCC(=O)C=COC 1458a_100016268678_100015370543 [1,0,0,0,0,0|1,0,2]=4 375 B11R0.81 CC/C=C\CCC(=O)CCC#N 1458a_100011934036_100015370543 [1,0,0,0,0,0|1,0,1]=3 376 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [1,0,0,0,0,0|0,0,0]=1 377 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [1,0,0,0,0,0|1,0,0]=2 378 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [1,0,0,0,0,0|1,0,0]=2 379 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [1,0,0,0,0,0|1,0,0]=2 380 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [1,0,0,0,0,0|1,0,0]=2 381 B11R0.81 CC/C=C\CCN(C)CCCC 2230a_100000207549_100015370543 [1,0,0,0,0,0|2,0,0]=3 382 B11R0.81 CC/C=C\CCN(C)CCCC 269982a_100000207549_100015370543 [1,0,0,0,0,0|2,0,0]=3 383 B11R0.81 CC/C=C\CCN(C)CCCO 2230a_100000213112_100015370543 [1,0,0,0,0,0|3,0,0]=4 384 B11R0.81 CC/C=C\CCN(C)CCCO 269982a_100000213112_100015370543 [1,0,0,0,0,0|3,0,0]=4 385 B11R0.81 CC/C=C\CCN(C)CCOC 2230a_100000743101_100015370543 [1,0,0,0,0,0|3,0,0]=4 386 B11R0.81 CC/C=C\CCN(C)CCOC 269982a_100000743101_100015370543 [1,0,0,0,0,0|3,0,0]=4 387 B11R0.81 CC/C=C\CCN(C)CCSC 2230a_100000686725_100015370543 [1,0,0,0,0,0|3,0,0]=4 388 B11R0.81 CC/C=C\CCN(C)CCSC 269982a_100000686725_100015370543 [1,0,0,0,0,0|3,0,0]=4 389 B11R0.81 CC/C=C\CNC(C)CCCC 2230a_100000126638_100103147603 [1,0,0,0,0,0|2,0,1]=4 390 B11R0.81 CC/C=C\COC(C)CCCC 34a_100000687866_100103147603 [1,0,0,0,0,0|1,0,1]=3 391 B11R0.81 CC/C=C\COC(C)CCCC 34a_100016268518_200011215066 [1,0,0,0,0,0|1,0,1]=3 392 B11R0.81 CC/C=C\COC(C)CCCC 7a_100000687866_100103147603 [1,0,0,0,0,0|1,0,1]=3 393 B11R0.81 CC/C=C\COC(C)CCCCl 34a_200000718107_100103147603 [1,0,0,0,0,0|2,0,1]=4 394 B11R0.81 CC/C=C\COC(C)CCCCl 7a_200000718107_100103147603 [1,0,0,0,0,0|2,0,1]=4 395 B11R0.81 CC/C=C\COC(C)COCC 34a_100000718985_100103147603 [1,0,0,0,0,0|2,0,1]=4 396 B11R0.81 CC/C=C\COC(C)COCC 7a_100000718985_100103147603 [1,0,0,0,0,0|2,0,1]=4 397 B11R0.81 CC/C=C\CSC(C)CCCC 62a_100103147603_200011215066 [1,0,0,0,0,0|1,1,1]=4 398 B11R0.81 CC/C=C\CSC(C)CCCC 62a_200011215066_100103147603 [1,0,0,0,0,0|1,1,1]=4 399 B11R0.81 CC=CCC(=O)CC/C=C\CC 1458a_100121576822_100015370543 [1,0,0,0,0,0|0,0,2]=3 400 B11R0.81 CC=CCNCC(=O)NCCC 2230a_100000174927_100000070051 [1,0,0,0,0,0|3,0,0]=4 401 B11R0.81 CC=CCSCC(=O)NCCC 62a_100000070051_100000183358 [1,0,0,0,0,0|3,0,0]=4 402 B11R0.81 CC=CCSCC(=O)NCCC 62a_100000183358_100000070051 [1,0,0,0,0,0|3,0,0]=4 403 B11R0.81 CC=CCSCC(=O)OCCC 62a_100000070051_200011215008 [1,0,0,0,0,0|3,0,0]=4 404 B11R0.81 CC=CCSCC(=O)OCCC 62a_200011215008_100000070051 [1,0,0,0,0,0|3,0,0]=4 405 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [1,0,0,0,0,0|0,0,2]=3 406 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [1,0,0,0,0,0|0,0,2]=3 407 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [1,0,0,0,0,0|1,0,2]=4 408 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [1,0,0,0,0,0|1,0,2]=4 409 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [1,0,0,0,0,0|1,0,2]=4 410 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [1,0,0,0,0,0|1,0,2]=4 411 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [1,0,0,0,0,0|1,0,2]=4 412 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [1,0,0,0,0,0|1,0,2]=4 413 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [1,0,0,0,0,0|1,0,2]=4 414 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [1,0,0,0,0,0|1,0,2]=4 415 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [1,0,0,0,0,0|0,0,2]=3 416 B11R0.81 CCCC=NNC(=O)CCCC 4a_100000189769_100000185831 [1,0,0,0,0,0|2,0,1]=4 417 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [1,0,0,0,0,0|1,0,2]=4 418 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,0,0,0,0,0|1,0,2]=4 419 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,0,0,0,0,0|1,0,2]=4 420 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [1,0,0,0,0,0|1,0,2]=4 421 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [1,0,0,0,0,0|1,0,1]=3 422 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [1,0,0,0,0,0|1,0,1]=3 423 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [1,0,0,0,0,0|2,0,1]=4 424 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [1,0,0,0,0,0|2,0,1]=4 425 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [1,0,0,0,0,0|2,0,1]=4 426 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [1,0,0,0,0,0|2,0,1]=4 427 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [1,0,0,0,0,0|2,0,1]=4 428 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [1,0,0,0,0,0|2,0,1]=4 429 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [1,0,0,0,0,0|2,0,1]=4 430 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [1,0,0,0,0,0|2,0,1]=4 431 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [1,0,0,0,0,0|2,0,1]=4 432 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [1,0,0,0,0,0|2,0,1]=4 433 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [1,0,0,0,0,0|2,0,1]=4 434 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [1,0,0,0,0,0|2,0,0]=3 435 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [1,0,0,0,0,0|2,0,0]=3 436 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [1,0,0,0,0,0|2,0,0]=3 437 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [1,0,0,0,0,0|2,0,0]=3 438 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [1,0,0,0,0,0|2,0,0]=3 439 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [1,0,0,0,0,0|2,0,0]=3 440 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [1,0,0,0,0,0|2,0,0]=3 441 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [1,0,0,0,0,0|2,0,0]=3 442 B11R0.81 CCCCC(C)OCCOCC 34a_100000210136_200011215066 [1,0,0,0,0,0|2,0,1]=4 443 B11R0.81 CCCCC(C)OCCOCC 34a_100000687866_100000210147 [1,0,0,0,0,0|2,0,1]=4 444 B11R0.81 CCCCC(C)OCCOCC 7a_100000210136_200011215066 [1,0,0,0,0,0|2,0,1]=4 445 B11R0.81 CCCCC(C)OCCOCC 7a_100000687866_100011215890 [1,0,0,0,0,0|2,0,1]=4 446 B11R0.81 CCCCC(C)OCCSCC 34a_100000212035_200011215066 [1,0,0,0,0,0|2,0,1]=4 447 B11R0.81 CCCCC(C)OCCSCC 34a_100000687866_100000757381 [1,0,0,0,0,0|2,0,1]=4 448 B11R0.81 CCCCC(C)OCCSCC 7a_100000212035_200011215066 [1,0,0,0,0,0|2,0,1]=4 449 B11R0.81 CCCCC(C)OCCSCC 7a_100000687866_100000757381 [1,0,0,0,0,0|2,0,1]=4 450 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [1,0,0,0,0,0|1,0,2]=4 451 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,0,0,0,0,0|0,0,2]=3 452 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,0,0,0,0,0|0,0,2]=3 453 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [1,0,0,0,0,0|1,0,2]=4 454 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,0,0,0,0,0|1,0,2]=4 455 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,0,0,0,0,0|1,0,2]=4 456 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,0,0,0,0,0|1,0,2]=4 457 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [1,0,0,0,0,0|1,0,2]=4 458 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [1,0,0,0,0,0|1,0,2]=4 459 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [1,0,0,0,0,0|1,0,2]=4 460 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [1,0,0,0,0,0|1,0,2]=4 461 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [1,0,0,0,0,0|1,0,2]=4 462 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [1,0,0,0,0,0|1,0,2]=4 463 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [1,0,0,0,0,0|1,0,2]=4 464 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [1,0,0,0,0,0|1,0,2]=4 465 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [1,0,0,0,0,0|1,0,1]=3 466 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [1,0,0,0,0,0|1,0,1]=3 467 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [1,0,0,0,0,0|1,0,1]=3 468 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [1,0,0,0,0,0|1,0,1]=3 469 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [1,0,0,0,0,0|2,0,1]=4 470 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [1,0,0,0,0,0|2,0,1]=4 471 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [1,0,0,0,0,0|2,0,1]=4 472 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [1,0,0,0,0,0|2,0,1]=4 473 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [1,0,0,0,0,0|2,0,1]=4 474 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [1,0,0,0,0,0|2,0,1]=4 475 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [1,0,0,0,0,0|2,0,1]=4 476 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [1,0,0,0,0,0|2,0,1]=4 477 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [1,0,0,0,0,0|2,0,1]=4 478 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [1,0,0,0,0,0|2,0,1]=4 479 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [1,0,0,0,0,0|2,0,1]=4 480 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [1,0,0,0,0,0|2,0,1]=4 481 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [1,0,0,0,0,0|2,0,1]=4 482 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [1,0,0,0,0,0|2,0,1]=4 483 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [1,0,0,0,0,0|2,0,1]=4 484 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [1,0,0,0,0,0|2,0,1]=4 485 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [1,0,0,0,0,0|2,0,1]=4 486 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [1,0,0,0,0,0|2,0,1]=4 487 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [1,0,0,0,0,0|2,0,1]=4 488 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [1,0,0,0,0,0|2,0,1]=4 489 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [1,0,0,0,0,0|2,0,1]=4 490 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [1,0,0,0,0,0|2,0,1]=4 491 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [1,0,0,0,0,0|2,0,1]=4 492 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [1,0,0,0,0,0|2,0,1]=4 493 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [1,0,0,0,0,0|2,0,1]=4 494 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [1,0,0,0,0,0|2,0,1]=4 495 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [1,0,0,0,0,0|1,0,2]=4 496 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [1,0,0,0,0,0|1,0,2]=4 497 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [1,0,0,0,0,0|1,0,2]=4 498 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [1,0,0,0,0,0|1,0,2]=4 499 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [1,0,0,0,0,0|2,0,1]=4 500 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [1,0,0,0,0,0|1,0,2]=4 501 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [1,0,0,0,0,0|1,0,2]=4 502 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [1,0,0,0,0,0|1,0,2]=4 503 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [1,0,0,0,0,0|2,0,1]=4 504 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [1,0,0,0,0,0|2,0,1]=4 505 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [1,0,0,0,0,0|2,0,1]=4 506 B11R0.81 CCCNC(=O)NCCOCC 2708a_100011200944_100020643023 [1,0,0,0,0,0|3,0,0]=4 507 B11R0.81 CCCNC(=O)NCCOCC 2708a_100020643023_100011200944 [1,0,0,0,0,0|3,0,0]=4 508 B11R0.81 CCCNC(=O)NCCOCC 273464a_100020643023_102516460346 [1,0,0,0,0,0|3,0,0]=4 509 B11R0.81 CCCNC(=O)NCCOCC 273464a_102516460346_100020643023 [1,0,0,0,0,0|3,0,0]=4 510 B11R0.81 CCCNC(=O)NCCOCC 512a_100011200944_100020643023 [1,0,0,0,0,0|3,0,0]=4 511 B11R0.81 CCCNC(=O)NCCOCC 512a_100020643023_100011200944 [1,0,0,0,0,0|3,0,0]=4 512 B11R0.81 CCCNC(=O)NCCSCC 2708a_100000106463_100020643023 [1,0,0,0,0,0|3,0,0]=4 513 B11R0.81 CCCNC(=O)NCCSCC 2708a_100020643023_100000106463 [1,0,0,0,0,0|3,0,0]=4 514 B11R0.81 CCCNC(=O)NCCSCC 273464a_100000106463_100020643023 [1,0,0,0,0,0|3,0,0]=4 515 B11R0.81 CCCNC(=O)NCCSCC 273464a_100020643023_100000106463 [1,0,0,0,0,0|3,0,0]=4 516 B11R0.81 CCCNC(=O)NCCSCC 512a_100000106463_100020643023 [1,0,0,0,0,0|3,0,0]=4 517 B11R0.81 CCCNC(=O)NCCSCC 512a_100020643023_100000106463 [1,0,0,0,0,0|3,0,0]=4 518 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [1,0,0,0,0,0|2,0,1]=4 519 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [1,0,0,0,0,0|2,0,1]=4 520 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [1,0,0,0,0,0|2,0,1]=4 521 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [1,0,0,0,0,0|2,0,1]=4 522 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [1,0,0,0,0,0|2,0,1]=4 523 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [1,0,0,0,0,0|2,0,1]=4 524 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [1,0,0,0,0,0|2,0,0]=3 525 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [1,0,0,0,0,0|3,0,0]=4 526 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [1,0,0,0,0,0|3,0,0]=4 527 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [1,0,0,0,0,0|3,0,0]=4 528 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [1,0,0,0,0,0|3,0,0]=4 529 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [1,0,0,0,0,0|2,0,1]=4 530 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [1,0,0,0,0,0|2,0,1]=4 531 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [1,0,0,0,0,0|2,0,1]=4 532 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [1,0,0,0,0,0|2,0,1]=4 533 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [1,0,0,0,0,0|3,0,0]=4 534 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [1,0,0,0,0,0|3,0,0]=4 535 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [1,0,0,0,0,0|3,0,0]=4 536 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [1,0,0,0,0,0|3,0,0]=4 537 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [1,0,0,0,0,0|3,0,0]=4 538 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [1,0,0,0,0,0|3,0,0]=4 539 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [1,0,0,0,0,0|3,0,0]=4 540 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [1,0,0,0,0,0|3,0,0]=4 541 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [1,0,0,0,0,0|3,0,0]=4 542 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [1,0,0,0,0,0|3,0,0]=4 543 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [1,0,0,0,0,0|3,0,0]=4 544 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [1,0,0,0,0,0|3,0,0]=4 545 B11R0.81 CCOCCNC(=O)CSCC 11a_100011200944_100000230394 [1,0,0,0,0,0|3,0,0]=4 546 B11R0.81 CCOCCNC(=O)CSCC 1626a_102516460346_100000230394 [1,0,0,0,0,0|3,0,0]=4 547 B11R0.81 CCOCCNC(=O)CSCC 240690a_100011200944_100000230394 [1,0,0,0,0,0|3,0,0]=4 548 B11R0.81 CCOCCNC(=O)CSCC 527a_100011200944_100000230394 [1,0,0,0,0,0|3,0,0]=4 549 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [1,0,0,0,0,0|2,0,0]=3 550 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [1,0,0,0,0,0|2,0,0]=3 551 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [1,0,0,0,0,0|2,0,0]=3 552 B11R0.81 CCOCCOC(=O)CSCF 62a_100015361967_200000101388 [1,0,0,0,0,0|3,0,0]=4 553 B11R0.81 CCOCCOC(=O)CSCF 62a_200000101388_100015361967 [1,0,0,0,0,0|3,0,0]=4 554 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [1,0,0,0,0,0|3,0,0]=4 555 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [1,0,0,0,0,0|3,0,0]=4 556 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [1,0,0,0,0,0|3,0,0]=4 557 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [1,0,0,0,0,0|3,0,0]=4 558 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [1,0,0,0,0,0|3,0,0]=4 559 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [1,0,0,0,0,0|3,0,0]=4 560 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [1,0,0,0,0,0|3,0,0]=4 561 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [1,0,0,0,0,0|3,0,0]=4 562 B11R0.81 CCSCCNC(=O)CSCC 11a_100000106463_100000230394 [1,0,0,0,0,0|3,0,0]=4 563 B11R0.81 CCSCCNC(=O)CSCC 1626a_100000106463_100000230394 [1,0,0,0,0,0|3,0,0]=4 564 B11R0.81 CCSCCNC(=O)CSCC 240690a_100000106463_100000230394 [1,0,0,0,0,0|3,0,0]=4 565 B11R0.81 CCSCCNC(=O)CSCC 527a_100000106463_100000230394 [1,0,0,0,0,0|3,0,0]=4 566 B13R0.66 C#CCCC(=O)CCOC/C=C\CC 34a_100011064465_100103147603 [0,1,0,0,0,0|1,0,2]=4 567 B13R0.66 C#CCCC(=O)CCOC/C=C\CC 7a_100011064465_100103147603 [0,1,0,0,0,0|1,0,2]=4 568 B13R0.66 C/C=C/C=C/COCC(=O)NCCC 34a_100016283227_100000183358 [0,1,0,0,0,0|1,0,2]=4 569 B13R0.66 C/C=C/C=C/COCC(=O)OCCC 34a_100016283227_200011215008 [0,1,0,0,0,0|1,0,2]=4 570 B13R0.66 C/C=C/CCOCOC(=O)OCCC 34a_100016278192_200000139673 [0,1,0,0,0,0|1,0,2]=4 571 B13R0.66 C=C(COCC/C=C\CC)OCOC 34a_100016288707_100000042856 [0,1,0,0,0,0|3,0,0]=4 572 B13R0.66 C=CCNC(=O)COCC/C=C\CC 7a_100016288707_100000183597 [0,1,0,0,0,0|1,0,2]=4 573 B13R0.66 C=CCOC(=O)COCC/C=C\CC 34a_100016288707_100000033060 [0,1,0,0,0,0|1,0,2]=4 574 B13R0.66 C=CCOC(=O)COCC/C=C\CC 7a_100016288707_100000033060 [0,1,0,0,0,0|1,0,2]=4 575 B13R0.66 CC/C=C/CCCOC(C)CCCC 34a_100016287902_200011215066 [0,1,0,0,0,0|1,0,1]=3 576 B13R0.66 CC/C=C/CCCOC(C)CCCC 7a_100016287902_200011215066 [0,1,0,0,0,0|1,0,1]=3 577 B13R0.66 CC/C=C\CCNCC(=O)NCCC 2230a_100000174927_100015370543 [0,1,0,0,0,0|2,0,0]=3 578 B13R0.66 CC/C=C\CCNCC(=O)NCCF 2230a_100000725713_100015370543 [0,1,0,0,0,0|3,0,0]=4 579 B13R0.66 CC/C=C\CCOCC(=O)NCC#N 7a_100016288707_100000736037 [0,1,0,0,0,0|2,0,1]=4 580 B13R0.66 CC/C=C\CCOCC(=O)NCCC 34a_100016288707_100000183358 [0,1,0,0,0,0|1,0,0]=2 581 B13R0.66 CC/C=C\CCOCC(=O)NCCC 7a_100016288707_100000183358 [0,1,0,0,0,0|1,0,0]=2 582 B13R0.66 CC/C=C\CCOCC(=O)OCCC 34a_100016288707_200011215008 [0,1,0,0,0,0|1,0,0]=2 583 B13R0.66 CC/C=C\CCOCC(=O)OCCC 7a_100016288707_200011215008 [0,1,0,0,0,0|1,0,0]=2 584 B13R0.66 CC/C=C\CCOCC(C)CCCC 34a_100011995851_100015370543 [0,1,0,0,0,0|1,0,1]=3 585 B13R0.66 CC/C=C\CCOCC(C)CCCC 7a_100011995851_100015370543 [0,1,0,0,0,0|1,0,1]=3 586 B13R0.66 CC/C=C\CCOC[C@@H](N)CCCC 34a_100011934283_100015370543 [0,1,0,0,0,0|1,0,1]=3 587 B13R0.66 CC/C=C\CCOC[C@@H](N)CCSC 34a_100011827619_100015370543 [0,1,0,0,0,0|2,0,1]=4 588 B13R0.66 CC/C=C\CCSCC(=O)NCCC 62a_100000183358_100015370543 [0,1,0,0,0,0|1,1,0]=3 589 B13R0.66 CC/C=C\CCSCC(=O)NCCC 62a_100015370543_100000183358 [0,1,0,0,0,0|1,1,0]=3 590 B13R0.66 CC/C=C\CCSCC(=O)OCCC 62a_100015370543_200011215008 [0,1,0,0,0,0|1,1,0]=3 591 B13R0.66 CC/C=C\CCSCC(=O)OCCC 62a_200011215008_100015370543 [0,1,0,0,0,0|1,1,0]=3 592 B13R0.66 CC/C=C\COCOC(=O)OCCC 34a_100016268518_200000139673 [0,1,0,0,0,0|1,0,0]=2 593 B13R0.66 CC/C=C\CSCOC(=O)OCCC 62a_100103147603_200000139673 [0,1,0,0,0,0|1,0,0]=2 594 B13R0.66 CC=C=CCCOCC(=O)NCCC 34a_100011020354_100000183358 [0,1,0,0,0,0|1,0,2]=4 595 B13R0.66 CC=C=CCCOCC(=O)OCCC 34a_100011020354_200011215008 [0,1,0,0,0,0|1,0,2]=4 596 B13R0.66 CC=CCCCOCC(=O)NCCC 34a_100020645299_100000183358 [0,1,0,0,0,0|1,0,2]=4 597 B13R0.66 CC=CCCCOCC(=O)OCCC 34a_100020645299_200011215008 [0,1,0,0,0,0|1,0,2]=4 598 B13R0.66 CCC#CCCOCC(=O)NCCC 34a_100000036655_100000183358 [0,1,0,0,0,0|1,0,2]=4 599 B13R0.66 CCC#CCCOCC(=O)NCCC 7a_100000036655_100000183358 [0,1,0,0,0,0|1,0,2]=4 600 B13R0.66 CCC#CCCOCC(=O)OCCC 34a_100000036655_200011215008 [0,1,0,0,0,0|1,0,2]=4 601 B13R0.66 CCC#CCCOCC(=O)OCCC 7a_100000036655_200011215008 [0,1,0,0,0,0|1,0,2]=4 602 B13R0.66 CCC#CCOCOC(=O)OCCC 34a_100000032950_200000139673 [0,1,0,0,0,0|1,0,2]=4 603 B13R0.66 CCC#CCSCOC(=O)OCCC 62a_100009813939_200000139673 [0,1,0,0,0,0|1,0,2]=4 604 B13R0.66 CCC/C=C/COCC(=O)NCCC 34a_100016278788_100000183358 [0,1,0,0,0,0|1,0,2]=4 605 B13R0.66 CCC/C=C/COCC(=O)NCCC 7a_100016278788_100000183358 [0,1,0,0,0,0|1,0,2]=4 606 B13R0.66 CCC/C=C/COCC(=O)OCCC 34a_100016278788_200011215008 [0,1,0,0,0,0|1,0,2]=4 607 B13R0.66 CCC/C=C/COCC(=O)OCCC 7a_100016278788_200011215008 [0,1,0,0,0,0|1,0,2]=4 608 B13R0.66 CCCC=CC=NNC(=O)CCCC 4a_100000189769_100016266791 [0,1,0,0,0,0|2,0,1]=4 609 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,1,0,0,0,0|1,0,2]=4 610 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,1,0,0,0,0|1,0,2]=4 611 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [0,1,0,0,0,0|1,0,2]=4 612 B13R0.66 CCCCC(=O)CCCOCCOC 1458a_100000210183_100011216529 [0,1,0,0,0,0|2,0,1]=4 613 B13R0.66 CCCCC(=O)CCOCCOCC 1458a_100000210183_100011211534 [0,1,0,0,0,0|2,0,1]=4 614 B13R0.66 CCCCC(=O)COCCOCCO 1458a_106645077154_100000210211 [0,1,0,0,0,0|2,0,1]=4 615 B13R0.66 CCCCC(=O)NCCCCCCO 240690a_100000686447_100000210183 [0,1,0,0,0,0|1,0,2]=4 616 B13R0.66 CCCCC(=O)NCCCCCCO 527a_100000686447_100000210183 [0,1,0,0,0,0|1,0,2]=4 617 B13R0.66 CCCCC(=O)NCCCCCOC 11a_100000747528_100000210183 [0,1,0,0,0,0|1,0,2]=4 618 B13R0.66 CCCCC(=O)NCCCCCOC 1626a_100000747528_100000210183 [0,1,0,0,0,0|1,0,2]=4 619 B13R0.66 CCCCC(=O)NCCCCCOC 240690a_100000747528_100000210183 [0,1,0,0,0,0|1,0,2]=4 620 B13R0.66 CCCCC(=O)NCCCCCOC 527a_100000747528_100000210183 [0,1,0,0,0,0|1,0,2]=4 621 B13R0.66 CCCCC(=O)NCCCOCCC 1626a_100011217757_100000210183 [0,1,0,0,0,0|1,0,2]=4 622 B13R0.66 CCCCC(=O)NCCCOCCC 240690a_100011217757_100000210183 [0,1,0,0,0,0|1,0,2]=4 623 B13R0.66 CCCCC(=O)NCCCOCCC 527a_100011217757_100000210183 [0,1,0,0,0,0|1,0,2]=4 624 B13R0.66 CCCCC(=O)NCCOCCOC 11a_100000745349_100000210183 [0,1,0,0,0,0|2,0,1]=4 625 B13R0.66 CCCCC(=O)NCCOCCOC 1626a_100000745349_100000210183 [0,1,0,0,0,0|2,0,1]=4 626 B13R0.66 CCCCC(=O)NCCOCCOC 240690a_100000745349_100000210183 [0,1,0,0,0,0|2,0,1]=4 627 B13R0.66 CCCCC(=O)NCCOCCOC 527a_100000745349_100000210183 [0,1,0,0,0,0|2,0,1]=4 628 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [0,1,0,0,0,0|1,0,2]=4 629 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,1,0,0,0,0|1,0,2]=4 630 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,1,0,0,0,0|1,0,2]=4 631 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [0,1,0,0,0,0|1,0,2]=4 632 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [0,1,0,0,0,0|1,0,2]=4 633 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [0,1,0,0,0,0|1,0,2]=4 634 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [0,1,0,0,0,0|1,0,2]=4 635 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [0,1,0,0,0,0|1,0,2]=4 636 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [0,1,0,0,0,0|1,0,2]=4 637 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,1,0,0,0,0|1,0,2]=4 638 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,1,0,0,0,0|1,0,2]=4 639 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,1,0,0,0,0|1,0,2]=4 640 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,1,0,0,0,0|1,0,2]=4 641 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,1,0,0,0,0|1,0,2]=4 642 B13R0.66 CCCCSCCNC(=O)CCCC 11a_100025743550_100000210183 [0,1,0,0,0,0|1,0,2]=4 643 B13R0.66 CCCCSCCNC(=O)CCCC 1626a_100025743550_100000210183 [0,1,0,0,0,0|1,0,2]=4 644 B13R0.66 CCCCSCCNC(=O)CCCC 240690a_100025743550_100000210183 [0,1,0,0,0,0|1,0,2]=4 645 B13R0.66 CCCCSCCNC(=O)CCCC 527a_100025743550_100000210183 [0,1,0,0,0,0|1,0,2]=4 646 B13R0.66 CCCNC(=O)COCCCOCC 34a_100000757476_100000183358 [0,1,0,0,0,0|2,0,1]=4 647 B13R0.66 CCCNC(=O)COCCCOCC 7a_100000757476_100000183358 [0,1,0,0,0,0|2,0,1]=4 648 B13R0.66 CCCNC(=O)COCCCSCC 34a_100011216438_100000183358 [0,1,0,0,0,0|2,0,1]=4 649 B13R0.66 CCCNC(=O)COCCCSCC 7a_100011216438_100000183358 [0,1,0,0,0,0|2,0,1]=4 650 B13R0.66 CCCNC(=O)COCCOCCC 34a_100000752267_100000183358 [0,1,0,0,0,0|2,0,1]=4 651 B13R0.66 CCCNC(=O)COCCOCCC 7a_100000752267_100000183358 [0,1,0,0,0,0|2,0,1]=4 652 B13R0.66 CCCNC(=O)COCCSCCC 34a_200000230433_100000183358 [0,1,0,0,0,0|2,0,1]=4 653 B13R0.66 CCCNC(=O)COCCSCCC 7a_200000230433_100000183358 [0,1,0,0,0,0|2,0,1]=4 654 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [0,1,0,0,0,0|2,0,1]=4 655 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [0,1,0,0,0,0|2,0,1]=4 656 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [0,1,0,0,0,0|2,0,1]=4 657 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [0,1,0,0,0,0|2,0,1]=4 658 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [0,1,0,0,0,0|2,0,1]=4 659 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [0,1,0,0,0,0|2,0,1]=4 660 B13R0.66 CCCOC(=O)OCNCCOCC 34a_102516460346_200000139673 [0,1,0,0,0,0|2,0,1]=4 661 B13R0.66 CCCOC(=O)OCOCCOCC 34a_100000210136_200000139673 [0,1,0,0,0,0|2,0,1]=4 662 B13R0.66 CCCOC(=O)OCOCCOCC 7a_100000210136_200000139673 [0,1,0,0,0,0|2,0,1]=4 663 B13R0.66 CCCOC(=O)OCOCCSCC 34a_100000212035_200000139673 [0,1,0,0,0,0|2,0,1]=4 664 B13R0.66 CCCOC(=O)OCOCCSCC 7a_100000212035_200000139673 [0,1,0,0,0,0|2,0,1]=4 665 B13R0.66 CCCOC(=O)OCSCCOCC 62a_100000210147_200000139673 [0,1,0,0,0,0|2,0,1]=4 666 B13R0.66 CCCOC(=O)OCSCCSCC 62a_100000757381_200000139673 [0,1,0,0,0,0|2,0,1]=4 667 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [0,1,0,0,0,0|2,0,1]=4 668 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [0,1,0,0,0,0|2,0,1]=4 669 B13R0.113 CCC(=O)NCCNC(=O)CCOC 11a_100132302217_100000749529 [0,1,0,0,0,0|3,0,0]=4 670 B13R0.113 CCC(=O)NCCNC(=O)CCOC 1626a_100132302217_100000749529 [0,1,0,0,0,0|3,0,0]=4 671 B13R0.113 CCC(=O)NCCNC(=O)CCOC 240690a_100132302217_100000749529 [0,1,0,0,0,0|3,0,0]=4 672 B13R0.113 CCC(=O)NCCNC(=O)CCOC 527a_100132302217_100000749529 [0,1,0,0,0,0|3,0,0]=4 673 B13R0.113 CCC(=O)NCCNC(=O)CCSC 11a_100132302217_100000174002 [0,1,0,0,0,0|3,0,0]=4 674 B13R0.113 CCC(=O)NCCNC(=O)CCSC 1626a_100132302217_100000174002 [0,1,0,0,0,0|3,0,0]=4 675 B13R0.113 CCC(=O)NCCNC(=O)CCSC 240690a_100132302217_100000174002 [0,1,0,0,0,0|3,0,0]=4 676 B13R0.113 CCC(=O)NCCNC(=O)CCSC 527a_100132302217_100000174002 [0,1,0,0,0,0|3,0,0]=4 677 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [0,1,0,0,0,0|2,0,1]=4 678 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [0,1,0,0,0,0|2,0,1]=4 679 B13R0.113 CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210211 [0,1,0,0,0,0|3,0,0]=4 680 B13R0.113 CCCCC(=O)NCCCC(=O)NC 11a_100000740002_100000210183 [0,1,0,0,0,0|2,0,1]=4 681 B13R0.113 CCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210183 [0,1,0,0,0,0|2,0,1]=4 682 B13R0.113 CCCCC(=O)NCCCC(=O)NC 527a_100000740002_100000210183 [0,1,0,0,0,0|2,0,1]=4 683 B13R0.113 CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210183 [0,1,0,0,0,0|2,0,1]=4 684 B13R0.113 CCCCC(=O)NCCNC(=O)CC 11a_100132302217_100000210183 [0,1,0,0,0,0|2,0,0]=3 685 B13R0.113 CCCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210183 [0,1,0,0,0,0|2,0,0]=3 686 B13R0.113 CCCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210183 [0,1,0,0,0,0|2,0,0]=3 687 B13R0.113 CCCCC(=O)NCCNC(=O)CC 527a_100132302217_100000210183 [0,1,0,0,0,0|2,0,0]=3 688 B13R0.113 CCCCC(=O)NCCNC(=O)NC 11a_100015205895_100000210183 [0,1,0,0,0,0|3,0,0]=4 689 B13R0.113 CCCCC(=O)NCCNC(=O)NC 240690a_100015205895_100000210183 [0,1,0,0,0,0|3,0,0]=4 690 B13R0.113 CCCCC(=O)NCCNC(=O)NC 527a_100015205895_100000210183 [0,1,0,0,0,0|3,0,0]=4 691 B13R0.113 CCCCC(C)OCCNC(=O)CC 34a_200000158885_200011215066 [0,1,0,0,0,0|2,0,1]=4 692 B13R0.113 CCCCC(C)OCCNC(=O)CC 7a_200000158885_200011215066 [0,1,0,0,0,0|2,0,1]=4 693 B13R0.113 CCCCC(C)OCCOC(=O)CC 7a_200000031056_200011215066 [0,1,0,0,0,0|2,0,1]=4 694 B13R0.113 CCCNC(=O)NCCNC(=O)CC 2708a_100020643023_100132302217 [0,1,0,0,0,0|3,0,0]=4 695 B13R0.113 CCCNC(=O)NCCNC(=O)CC 2708a_100132302217_100020643023 [0,1,0,0,0,0|3,0,0]=4 696 B13R0.113 CCCNC(=O)NCCNC(=O)CC 273464a_100020643023_100132302217 [0,1,0,0,0,0|3,0,0]=4 697 B13R0.113 CCCNC(=O)NCCNC(=O)CC 273464a_100132302217_100020643023 [0,1,0,0,0,0|3,0,0]=4 698 B13R0.113 CCCNC(=O)NCCNC(=O)CC 512a_100020643023_100132302217 [0,1,0,0,0,0|3,0,0]=4 699 B13R0.113 CCCNC(=O)NCCNC(=O)CC 512a_100132302217_100020643023 [0,1,0,0,0,0|3,0,0]=4 700 B13R0.113 CCCOC(=O)OCOCC(=O)CC 34a_100000725409_200000139673 [0,1,0,0,0,0|2,0,1]=4 701 B13R0.113 CCCOC(=O)OCSCC(=O)CC 62a_100000747405_200000139673 [0,1,0,0,0,0|2,0,1]=4 702 B13R0.113 CCOCC(=O)NCCNC(=O)CC 11a_100132302217_100000211967 [0,1,0,0,0,0|3,0,0]=4 703 B13R0.113 CCOCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211967 [0,1,0,0,0,0|3,0,0]=4 704 B13R0.113 CCOCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211967 [0,1,0,0,0,0|3,0,0]=4 705 B13R0.113 CCOCC(=O)NCCNC(=O)CC 527a_100132302217_100000211967 [0,1,0,0,0,0|3,0,0]=4 706 B13R0.113 CCSCC(=O)NCCNC(=O)CC 11a_100132302217_100000230394 [0,1,0,0,0,0|3,0,0]=4 707 B13R0.113 CCSCC(=O)NCCNC(=O)CC 1626a_100132302217_100000230394 [0,1,0,0,0,0|3,0,0]=4 708 B13R0.113 CCSCC(=O)NCCNC(=O)CC 240690a_100132302217_100000230394 [0,1,0,0,0,0|3,0,0]=4 709 B13R0.113 CCSCC(=O)NCCNC(=O)CC 527a_100132302217_100000230394 [0,1,0,0,0,0|3,0,0]=4 710 B13R0.119 CCCCC(=O)CCCCCC(C)C 1458a_100000210183_100000210682 [0,1,0,0,0,0|1,0,2]=4 711 B13R0.119 CCCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210211 [0,1,0,0,0,0|1,0,2]=4 712 B13R0.119 CCCCC(=O)NCCCOC(C)C 11a_100000737246_100000210183 [0,1,0,0,0,0|2,0,1]=4 713 B13R0.119 CCCCC(=O)NCCCOC(C)C 1626a_100000737246_100000210183 [0,1,0,0,0,0|2,0,1]=4 714 B13R0.119 CCCCC(=O)NCCCOC(C)C 240690a_100000737246_100000210183 [0,1,0,0,0,0|2,0,1]=4 715 B13R0.119 CCCCC(=O)NCCCOC(C)C 527a_100000737246_100000210183 [0,1,0,0,0,0|2,0,1]=4 716 B13R0.154 CC/C=C\CCNC(C)CCC(C)C 2230a_100138410893_100015370543 [0,1,0,0,0,0|2,0,1]=4 717 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 34a_100011215350_100015370543 [0,1,0,0,0,0|1,0,1]=3 718 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 34a_100016288707_100011261404 [0,1,0,0,0,0|1,0,1]=3 719 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 7a_100011215350_100015370543 [0,1,0,0,0,0|1,0,1]=3 720 B13R0.154 CC/C=C\CCSC(C)CCC(C)C 62a_100011261404_100015370543 [0,1,0,0,0,0|1,1,1]=4 721 B13R0.154 CC/C=C\CCSC(C)CCC(C)C 62a_100015370543_100011261404 [0,1,0,0,0,0|1,1,1]=4 722 B13R0.154 CC/C=C\COCC(=O)NCC(C)C 34a_100016268518_100000183291 [0,1,0,0,0,0|3,0,0]=4 723 B13R0.154 CC/C=C\CSCC(=O)NCC(C)C 62a_100000183291_100103147603 [0,1,0,0,0,0|3,0,0]=4 724 B13R0.154 CC/C=C\CSCC(=O)NCC(C)C 62a_100103147603_100000183291 [0,1,0,0,0,0|3,0,0]=4 725 B13R0.154 CCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210614 [0,1,0,0,0,0|1,0,2]=4 726 B13R0.154 CCCCCCCC(=O)CCC(C)C 1458a_100000211969_100000210312 [0,1,0,0,0,0|1,0,2]=4 727 B13R0.154 CCCCCCCC(=O)CCC(C)O 1458a_100000211969_100012276601 [0,1,0,0,0,0|1,0,2]=4 728 B13R0.154 CCCCCCNC(=O)CCC(C)C 11a_100000210581_100000181311 [0,1,0,0,0,0|1,0,2]=4 729 B13R0.154 CCCCCCNC(=O)CCC(C)C 1626a_100000210581_100000181311 [0,1,0,0,0,0|1,0,2]=4 730 B13R0.154 CCCCCCNC(=O)CCC(C)C 240690a_100000210581_100000181311 [0,1,0,0,0,0|1,0,2]=4 731 B13R0.154 CCCCCCNC(=O)CCC(C)C 527a_100000210581_100000181311 [0,1,0,0,0,0|1,0,2]=4 732 B13R0.154 CCCCCCNC(=O)CCC(C)O 1626a_100000210581_100000718519 [0,1,0,0,0,0|1,0,2]=4 733 B13R0.154 CCCOCCNC(=O)CCC(C)C 1626a_100161115042_100000181311 [0,1,0,0,0,0|2,0,1]=4 734 B13R0.154 CCCOCCNC(=O)CCC(C)C 240690a_100161115042_100000181311 [0,1,0,0,0,0|2,0,1]=4 735 B13R0.154 CCCOCCNC(=O)CCC(C)C 527a_100161115042_100000181311 [0,1,0,0,0,0|2,0,1]=4 736 B13R0.154 CCCOCCNC(=O)CCC(C)O 1626a_100161115042_100000718519 [0,1,0,0,0,0|2,0,1]=4 737 B13R0.154 CCCSCCNC(=O)CCC(C)C 11a_100020603323_100000181311 [0,1,0,0,0,0|2,0,1]=4 738 B13R0.154 CCCSCCNC(=O)CCC(C)C 240690a_100020603323_100000181311 [0,1,0,0,0,0|2,0,1]=4 739 B13R0.154 CCCSCCNC(=O)CCC(C)C 527a_100020603323_100000181311 [0,1,0,0,0,0|2,0,1]=4 740 B13R0.154 CCOCCCNC(=O)CCC(C)C 11a_100000210961_100000181311 [0,1,0,0,0,0|2,0,1]=4 741 B13R0.154 CCOCCCNC(=O)CCC(C)C 1626a_100000210961_100000181311 [0,1,0,0,0,0|2,0,1]=4 742 B13R0.154 CCOCCCNC(=O)CCC(C)C 240690a_100000210961_100000181311 [0,1,0,0,0,0|2,0,1]=4 743 B13R0.154 CCOCCCNC(=O)CCC(C)C 527a_100000210961_100000181311 [0,1,0,0,0,0|2,0,1]=4 744 B13R0.154 CCOCCCNC(=O)CCC(C)O 1626a_100000210961_100000718519 [0,1,0,0,0,0|2,0,1]=4 745 B13R0.175 CC/C=C(\C)/C=NNC(=O)CCCC 4a_100000189769_100020678925 [0,1,0,0,0,0|2,0,1]=4 746 B13R0.175 CC=CC(=O)CCCC(=O)NCCC 1458a_100000210699_100011194427 [0,1,0,0,0,0|2,0,1]=4 747 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [0,1,0,0,0,0|2,0,0]=3 748 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [0,1,0,0,0,0|2,0,0]=3 749 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [0,1,0,0,0,0|2,0,0]=3 750 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [0,1,0,0,0,0|3,0,0]=4 751 B13R0.175 CCCCC(=O)CCSC(=S)NCC 1458a_200009862762_100000210211 [0,1,0,0,0,0|3,0,0]=4 752 B13R0.175 CCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210183 [0,1,0,0,0,0|2,0,0]=3 753 B13R0.175 CCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210183 [0,1,0,0,0,0|2,0,0]=3 754 B13R0.175 CCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210183 [0,1,0,0,0,0|2,0,0]=3 755 B13R0.175 CCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000210183 [0,1,0,0,0,0|2,0,0]=3 756 B13R0.175 CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210183 [0,1,0,0,0,0|2,0,0]=3 757 B13R0.175 CCCCC(C)OCCC(=O)NCC 7a_100000687866_100000737597 [0,1,0,0,0,0|2,0,1]=4 758 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [0,1,0,0,0,0|2,0,1]=4 759 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [0,1,0,0,0,0|2,0,1]=4 760 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000199544_100000210303 [0,1,0,0,0,0|2,0,1]=4 761 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000211992_100011194427 [0,1,0,0,0,0|2,0,1]=4 762 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199544 [0,1,0,0,0,0|3,0,0]=4 763 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100020643023_100000199580 [0,1,0,0,0,0|3,0,0]=4 764 B13R0.175 CCCNC(=O)CCCC(=O)NCC 1626a_100020643023_100000199580 [0,1,0,0,0,0|3,0,0]=4 765 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199544 [0,1,0,0,0,0|3,0,0]=4 766 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100020643023_100000199580 [0,1,0,0,0,0|3,0,0]=4 767 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199544 [0,1,0,0,0,0|3,0,0]=4 768 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100020643023_100000199580 [0,1,0,0,0,0|3,0,0]=4 769 B13R0.175 CCCNC(=O)CCCC(=O)OCC 11a_100020643023_100000210991 [0,1,0,0,0,0|3,0,0]=4 770 B13R0.175 CCCNC(=O)CCCC(=O)OCC 1626a_100020643023_100000210991 [0,1,0,0,0,0|3,0,0]=4 771 B13R0.175 CCCNC(=O)CCCC(=O)OCC 240690a_100020643023_100000210991 [0,1,0,0,0,0|3,0,0]=4 772 B13R0.175 CCCNC(=O)CCCC(=O)OCC 527a_100020643023_100000210991 [0,1,0,0,0,0|3,0,0]=4 773 B13R0.175 CCCNC(=O)NCCC(=O)NCC 2708a_100020643023_100025743525 [0,1,0,0,0,0|3,0,0]=4 774 B13R0.175 CCCNC(=O)NCCC(=O)NCC 273464a_100020643023_100025743525 [0,1,0,0,0,0|3,0,0]=4 775 B13R0.175 CCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100020643023 [0,1,0,0,0,0|3,0,0]=4 776 B13R0.175 CCCNC(=O)NCCC(=O)NCC 512a_100020643023_100025743525 [0,1,0,0,0,0|3,0,0]=4 777 B13R0.175 CCCNC(=O)NCCC(=O)NCC 512a_100025743525_100020643023 [0,1,0,0,0,0|3,0,0]=4 778 B13R0.175 CCNC(=O)CCCC(=O)CCCF 1458a_100000199580_100011934791 [0,1,0,0,0,0|3,0,0]=4 779 B13R0.175 CCNC(=O)CCCC(=O)CCCO 1458a_100000199580_100011215043 [0,1,0,0,0,0|3,0,0]=4 780 B13R0.175 CCNC(=O)CCCC(=O)CCOC 1458a_100000199580_100000233755 [0,1,0,0,0,0|3,0,0]=4 781 B13R0.175 CCNC(=O)CCCC(=O)CCSC 1458a_100000199580_100000751147 [0,1,0,0,0,0|3,0,0]=4 782 B13R0.175 CCNC(=O)CCNC(=O)CCOC 11a_100025743525_100000749529 [0,1,0,0,0,0|3,0,0]=4 783 B13R0.175 CCNC(=O)CCNC(=O)CCOC 1626a_100025743525_100000749529 [0,1,0,0,0,0|3,0,0]=4 784 B13R0.175 CCNC(=O)CCNC(=O)CCOC 240690a_100025743525_100000749529 [0,1,0,0,0,0|3,0,0]=4 785 B13R0.175 CCNC(=O)CCNC(=O)CCOC 527a_100025743525_100000749529 [0,1,0,0,0,0|3,0,0]=4 786 B13R0.175 CCNC(=O)CCNC(=O)CCSC 11a_100025743525_100000174002 [0,1,0,0,0,0|3,0,0]=4 787 B13R0.175 CCNC(=O)CCNC(=O)CCSC 1626a_100025743525_100000174002 [0,1,0,0,0,0|3,0,0]=4 788 B13R0.175 CCNC(=O)CCNC(=O)CCSC 240690a_100025743525_100000174002 [0,1,0,0,0,0|3,0,0]=4 789 B13R0.175 CCNC(=O)CCNC(=O)CCSC 527a_100025743525_100000174002 [0,1,0,0,0,0|3,0,0]=4 790 B13R0.175 CCNC(=O)CCNC(=O)COCC 11a_100025743525_100000211967 [0,1,0,0,0,0|3,0,0]=4 791 B13R0.175 CCNC(=O)CCNC(=O)COCC 1626a_100025743525_100000211967 [0,1,0,0,0,0|3,0,0]=4 792 B13R0.175 CCNC(=O)CCNC(=O)COCC 240690a_100025743525_100000211967 [0,1,0,0,0,0|3,0,0]=4 793 B13R0.175 CCNC(=O)CCNC(=O)COCC 527a_100025743525_100000211967 [0,1,0,0,0,0|3,0,0]=4 794 B13R0.175 CCNC(=O)CCNC(=O)CSCC 11a_100025743525_100000230394 [0,1,0,0,0,0|3,0,0]=4 795 B13R0.175 CCNC(=O)CCNC(=O)CSCC 1626a_100025743525_100000230394 [0,1,0,0,0,0|3,0,0]=4 796 B13R0.175 CCNC(=O)CCNC(=O)CSCC 240690a_100025743525_100000230394 [0,1,0,0,0,0|3,0,0]=4 797 B13R0.175 CCNC(=O)CCNC(=O)CSCC 527a_100025743525_100000230394 [0,1,0,0,0,0|3,0,0]=4 798 B13R0.175 CCOC(=O)CCCC(=O)CCCF 1458a_100000210991_100011934791 [0,1,0,0,0,0|3,0,0]=4 799 B13R0.175 CCOC(=O)CCCC(=O)CCCO 1458a_100000210991_100011215043 [0,1,0,0,0,0|3,0,0]=4 800 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000210991_100000233755 [0,1,0,0,0,0|3,0,0]=4 801 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000749529_100011215271 [0,1,0,0,0,0|3,0,0]=4 802 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000174002_100011215271 [0,1,0,0,0,0|3,0,0]=4 803 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000210991_100000751147 [0,1,0,0,0,0|3,0,0]=4 804 B13R0.175 CCOC(=O)CCCC(=O)CSCC 1458a_100000230394_100011215271 [0,1,0,0,0,0|3,0,0]=4 805 B13R0.175 CCOC(=O)CCNC(=O)CCOC 188690a_100000746078_100000749529 [0,1,0,0,0,0|3,0,0]=4 806 B13R0.175 CCOC(=O)CCNC(=O)CCSC 188690a_100000746078_100000174002 [0,1,0,0,0,0|3,0,0]=4 807 B13R0.175 CCOC(=O)CCNC(=O)CSCC 188690a_100000746078_100000230394 [0,1,0,0,0,0|3,0,0]=4 808 B13R0.175 CCOCC(=O)CCCC(=O)OCC 1458a_100000211967_100011215271 [0,1,0,0,0,0|3,0,0]=4 809 B13R0.175 CCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211967 [0,1,0,0,0,0|3,0,0]=4 810 B13R0.176 CCC=CC(=O)COC(=O)OCCC 1458a_100000212282_200000139673 [0,1,0,0,0,0|1,0,1]=3 811 B13R0.176 CCC=CC(=O)NNC(=O)CCCC 22a_100000189769_100000212282 [0,1,0,0,0,0|2,0,1]=4 812 B13R0.176 CCCCC(=O)CCC(C)CCCC 1458a_100000033779_100000210211 [0,1,0,0,0,0|1,0,2]=4 813 B13R0.176 CCCCC(=O)NCC(C)OCCC 11a_100015185124_100000210183 [0,1,0,0,0,0|2,0,1]=4 814 B13R0.176 CCCCC(=O)NCC(C)OCCC 1626a_100015185124_100000210183 [0,1,0,0,0,0|2,0,1]=4 815 B13R0.176 CCCCC(=O)NCC(C)OCCC 240690a_100015185124_100000210183 [0,1,0,0,0,0|2,0,1]=4 816 B13R0.176 CCCCC(=O)NCC(C)OCCC 527a_100015185124_100000210183 [0,1,0,0,0,0|2,0,1]=4 817 B13R0.176 CCCCC(=O)NCC(O)COCC 240690a_102515437182_100000210183 [0,1,0,0,0,0|2,0,1]=4 818 B13R0.176 CCCCC(=O)NCC(O)COCC 527a_102515437182_100000210183 [0,1,0,0,0,0|2,0,1]=4 819 B13R0.176 CCCOC(=O)OCC(=O)C=COC 1458a_100016268678_200000139673 [0,1,0,0,0,0|2,0,1]=4 820 B13R0.195 CC/C=C/CC(=O)CC(=O)NCCC 1458a_100016274230_100000183358 [0,1,0,0,0,0|2,0,1]=4 821 B13R0.195 CC/C=C/CC(=O)CC(=O)OCCC 1458a_100016274230_200011215008 [0,1,0,0,0,0|2,0,1]=4 822 B13R0.195 CC/C=C\CN(C)CC(=O)NCCC 2230a_100000684209_100103147603 [0,1,0,0,0,0|3,0,0]=4 823 B13R0.195 CC/C=C\CN(C)CC(=O)NCCC 269982a_100000684209_100103147603 [0,1,0,0,0,0|3,0,0]=4 824 B13R0.195 CCCCCC(C)NC(=O)CCCC 11a_100000211957_100000210183 [0,1,0,0,0,0|1,0,2]=4 825 B13R0.195 CCCCCC(C)NC(=O)CCCC 1626a_100000211957_100000210183 [0,1,0,0,0,0|1,0,2]=4 826 B13R0.195 CCCCCC(C)NC(=O)CCCC 240690a_100000211957_100000210183 [0,1,0,0,0,0|1,0,2]=4 827 B13R0.195 CCCCCC(C)NC(=O)CCCC 527a_100000211957_100000210183 [0,1,0,0,0,0|1,0,2]=4 828 B13R0.195 CCCCCC(C)OC(=O)CNCC 2230a_100015525214_200000092394 [0,1,0,0,0,0|1,0,2]=4 829 B13R0.195 CCCCCC(C)OC(=O)COCC 34a_100121572206_200000092394 [0,1,0,0,0,0|1,0,2]=4 830 B13R0.195 CCCCCC(C)OC(=O)CSCC 62a_100000210202_200000092394 [0,1,0,0,0,0|1,0,2]=4 831 B13R0.195 CCCCCC(C)OC(=O)CSCC 62a_200000092394_100000210202 [0,1,0,0,0,0|1,0,2]=4 832 B13R0.272 C#CC(CCCC)OCC/C=C\CC 34a_200011217967_100015370543 [0,1,0,0,0,0|1,0,1]=3 833 B13R0.272 C#CC(CCCC)OCC/C=C\CC 7a_200011217967_100015370543 [0,1,0,0,0,0|1,0,1]=3 834 B13R0.272 C=CC(CCCC)OCC/C=C\CC 34a_200011215037_100015370543 [0,1,0,0,0,0|1,0,1]=3 835 B13R0.272 C=CC(CCCC)OCC/C=C\CC 7a_200011215037_100015370543 [0,1,0,0,0,0|1,0,1]=3 836 B13R0.272 CC/C=C\CCN[C@H](CO)CCCC 2230a_100011934283_100015370543 [0,1,0,0,0,0|1,0,2]=4 837 B13R0.272 CC/C=C\CCN[C@H](CO)CCCC 34a_100011934283_100015370543 [0,1,0,0,0,0|1,0,2]=4 838 B13R0.272 CC/C=C\CCOC(CC)CCCC 34a_100011215227_100015370543 [0,1,0,0,0,0|1,0,1]=3 839 B13R0.272 CC/C=C\CCOC(CC)CCCC 34a_100016288707_200011216223 [0,1,0,0,0,0|1,0,1]=3 840 B13R0.272 CC/C=C\CCOC(CC)CCCC 7a_100011215227_100015370543 [0,1,0,0,0,0|1,0,1]=3 841 B13R0.272 CC/C=C\CCOC(CC)CCCC 7a_100016288707_200011216223 [0,1,0,0,0,0|1,0,1]=3 842 B13R0.272 CC/C=C\CCOC(CN)COCC 34a_102515437182_100015370543 [0,1,0,0,0,0|2,0,1]=4 843 B13R0.272 CC/C=C\CCSC(CC)CCCC 62a_100015370543_200011216223 [0,1,0,0,0,0|1,1,1]=4 844 B13R0.272 CC/C=C\CCSC(CC)CCCC 62a_200011216223_100015370543 [0,1,0,0,0,0|1,1,1]=4 845 B13R0.274 CC/C=C\CCNC(C)CC(C)CC 2230a_100000763565_100015370543 [0,1,0,0,0,0|2,0,1]=4 846 B13R0.274 CC/C=C\COCC(=O)NC(C)CC 34a_100016268518_100000182745 [0,1,0,0,0,0|3,0,0]=4 847 B13R0.274 CC/C=C\CSCC(=O)NC(C)CC 62a_100000182745_100103147603 [0,1,0,0,0,0|3,0,0]=4 848 B13R0.274 CC/C=C\CSCC(=O)NC(C)CC 62a_100103147603_100000182745 [0,1,0,0,0,0|3,0,0]=4 849 B13R0.274 CCCCCCCC(=O)CC(C)CC 1458a_100000211969_100000748023 [0,1,0,0,0,0|1,0,2]=4 850 B13R0.274 CCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210614 [0,1,0,0,0,0|1,0,2]=4 851 B13R0.274 CCCCCCCC(=O)CC(O)CC 1458a_100000211969_100011218378 [0,1,0,0,0,0|1,0,2]=4 852 B13R0.274 CCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210614 [0,1,0,0,0,0|1,0,2]=4 853 B13R0.274 CCCCCCCC(=O)C[C@@H](C)CC 1458a_100000211969_100009816398 [0,1,0,0,0,0|1,0,2]=4 854 B13R0.274 CCCCCCNC(=O)CC(C)CC 11a_100000210581_100000708755 [0,1,0,0,0,0|1,0,2]=4 855 B13R0.274 CCCCCCNC(=O)CC(C)CC 1626a_100000210581_100000708755 [0,1,0,0,0,0|1,0,2]=4 856 B13R0.274 CCCCCCNC(=O)CC(C)CC 240690a_100000210581_100000708755 [0,1,0,0,0,0|1,0,2]=4 857 B13R0.274 CCCCCCNC(=O)CC(C)CC 527a_100000210581_100000708755 [0,1,0,0,0,0|1,0,2]=4 858 B13R0.274 CCCCCCNC(=O)CC(O)CC 1626a_100000210581_100011667805 [0,1,0,0,0,0|1,0,2]=4 859 B13R0.274 CCCCCCNC(=O)CC(O)CC 240690a_100000210581_100011667805 [0,1,0,0,0,0|1,0,2]=4 860 B13R0.274 CCCOCCNC(=O)CC(C)CC 1626a_100161115042_100000708755 [0,1,0,0,0,0|2,0,1]=4 861 B13R0.274 CCCOCCNC(=O)CC(C)CC 240690a_100161115042_100000708755 [0,1,0,0,0,0|2,0,1]=4 862 B13R0.274 CCCOCCNC(=O)CC(C)CC 527a_100161115042_100000708755 [0,1,0,0,0,0|2,0,1]=4 863 B13R0.274 CCCOCCNC(=O)CC(O)CC 1626a_100161115042_100011667805 [0,1,0,0,0,0|2,0,1]=4 864 B13R0.274 CCCOCCNC(=O)CC(O)CC 240690a_100161115042_100011667805 [0,1,0,0,0,0|2,0,1]=4 865 B13R0.274 CCCSCCNC(=O)CC(C)CC 11a_100020603323_100000708755 [0,1,0,0,0,0|2,0,1]=4 866 B13R0.274 CCCSCCNC(=O)CC(C)CC 240690a_100020603323_100000708755 [0,1,0,0,0,0|2,0,1]=4 867 B13R0.274 CCCSCCNC(=O)CC(C)CC 527a_100020603323_100000708755 [0,1,0,0,0,0|2,0,1]=4 868 B13R0.274 CCCSCCNC(=O)CC(O)CC 240690a_100020603323_100011667805 [0,1,0,0,0,0|2,0,1]=4 869 B13R0.274 CCOCCCNC(=O)CC(C)CC 11a_100000210961_100000708755 [0,1,0,0,0,0|2,0,1]=4 870 B13R0.274 CCOCCCNC(=O)CC(C)CC 1626a_100000210961_100000708755 [0,1,0,0,0,0|2,0,1]=4 871 B13R0.274 CCOCCCNC(=O)CC(C)CC 240690a_100000210961_100000708755 [0,1,0,0,0,0|2,0,1]=4 872 B13R0.274 CCOCCCNC(=O)CC(C)CC 527a_100000210961_100000708755 [0,1,0,0,0,0|2,0,1]=4 873 B13R0.274 CCOCCCNC(=O)CC(O)CC 1626a_100000210961_100011667805 [0,1,0,0,0,0|2,0,1]=4 874 B13R0.274 CCOCCCNC(=O)CC(O)CC 240690a_100000210961_100011667805 [0,1,0,0,0,0|2,0,1]=4 875 B13R0.275 CC/C=C\CCOC(=O)C(C)OCC 34a_200020655201_100000210202 [0,1,0,0,0,0|1,0,0]=2 876 B13R0.275 CC/C=C\CCOC(=O)C(C)OCC 7a_200020655201_100000210202 [0,1,0,0,0,0|1,0,0]=2 877 B13R0.275 CC/C=C\CCOC(=O)C(C)OCF 34a_200020655201_100015361967 [0,1,0,0,0,0|2,0,0]=3 878 B13R0.275 CC/C=C\CCOC(=O)C(C)OCF 7a_200020655201_100015361967 [0,1,0,0,0,0|2,0,0]=3 879 B13R0.275 CC/C=C\CCOC(C)C(C)CCC 34a_100000708338_100015370543 [0,1,0,0,0,0|1,0,1]=3 880 B13R0.275 CC/C=C\CCOC(C)C(C)CCC 7a_100000708338_100015370543 [0,1,0,0,0,0|1,0,1]=3 881 B13R0.275 CCCC(C)C(=O)NCCCOCC 11a_100000210961_100000210906 [0,1,0,0,0,0|2,0,1]=4 882 B13R0.275 CCCC(C)C(=O)NCCCOCC 1626a_100000210961_100000210906 [0,1,0,0,0,0|2,0,1]=4 883 B13R0.275 CCCC(C)C(=O)NCCCOCC 240690a_100000210961_100000210906 [0,1,0,0,0,0|2,0,1]=4 884 B13R0.275 CCCC(C)C(=O)NCCCOCC 527a_100000210961_100000210906 [0,1,0,0,0,0|2,0,1]=4 885 B13R0.275 CCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210614 [0,1,0,0,0,0|1,0,2]=4 886 B13R0.275 CCCCCCCC(=O)C(C)CCC 1458a_100000211969_100000766640 [0,1,0,0,0,0|1,0,2]=4 887 B13R0.275 CCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210614 [0,1,0,0,0,0|1,0,2]=4 888 B13R0.275 CCCCCCNC(=O)C(C)CCC 11a_100000210581_100000210906 [0,1,0,0,0,0|1,0,2]=4 889 B13R0.275 CCCCCCNC(=O)C(C)CCC 1626a_100000210581_100000210906 [0,1,0,0,0,0|1,0,2]=4 890 B13R0.275 CCCCCCNC(=O)C(C)CCC 240690a_100000210581_100000210906 [0,1,0,0,0,0|1,0,2]=4 891 B13R0.275 CCCCCCNC(=O)C(C)CCC 527a_100000210581_100000210906 [0,1,0,0,0,0|1,0,2]=4 892 B13R0.275 CCCCCCNC(=O)[C@@H](O)CCC 240690a_100000210581_100009822183 [0,1,0,0,0,0|1,0,2]=4 893 B13R0.275 CCCOCCNC(=O)C(C)CCC 1626a_100161115042_100000210906 [0,1,0,0,0,0|2,0,1]=4 894 B13R0.275 CCCOCCNC(=O)C(C)CCC 240690a_100161115042_100000210906 [0,1,0,0,0,0|2,0,1]=4 895 B13R0.275 CCCOCCNC(=O)C(C)CCC 527a_100161115042_100000210906 [0,1,0,0,0,0|2,0,1]=4 896 B13R0.275 CCCOCCNC(=O)[C@@H](O)CCC 240690a_100161115042_100009822183 [0,1,0,0,0,0|2,0,1]=4 897 B13R0.275 CCCSCCNC(=O)C(C)CCC 11a_100020603323_100000210906 [0,1,0,0,0,0|2,0,1]=4 898 B13R0.275 CCCSCCNC(=O)C(C)CCC 240690a_100020603323_100000210906 [0,1,0,0,0,0|2,0,1]=4 899 B13R0.275 CCCSCCNC(=O)C(C)CCC 527a_100020603323_100000210906 [0,1,0,0,0,0|2,0,1]=4 900 B13R0.275 CCCSCCNC(=O)[C@@H](O)CCC 240690a_100020603323_100009822183 [0,1,0,0,0,0|2,0,1]=4 901 B13R0.275 CCC[C@H](O)C(=O)NCCCOCC 240690a_100000210961_100009822183 [0,1,0,0,0,0|2,0,1]=4 902 B13R0.338 CC/C=C\CCNC(C)CCCCC 2230a_100000211957_100015370543 [0,1,0,0,0,0|2,0,1]=4 903 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100011215632_100015370543 [0,1,0,0,0,0|1,0,1]=3 904 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100016288707_200011218191 [0,1,0,0,0,0|1,0,1]=3 905 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100011215632_100015370543 [0,1,0,0,0,0|1,0,1]=3 906 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100016288707_200011218191 [0,1,0,0,0,0|1,0,1]=3 907 B13R0.338 CC/C=C\CCOC(C)CCCOC 34a_200011539412_100015370543 [0,1,0,0,0,0|1,0,1]=3 908 B13R0.338 CC/C=C\CCOC(C)CCCOC 7a_200011539412_100015370543 [0,1,0,0,0,0|1,0,1]=3 909 B13R0.338 CC/C=C\CCSC(C)CCCCC 62a_100015370543_200011218191 [0,1,0,0,0,0|1,1,1]=4 910 B13R0.338 CC/C=C\CCSC(C)CCCCC 62a_200011218191_100015370543 [0,1,0,0,0,0|1,1,1]=4 911 B13R0.338 CC/C=C\CNCC(=O)NCCOC 2230a_100000754632_100103147603 [0,1,0,0,0,0|3,0,0]=4 912 B13R0.338 CC/C=C\COCC(=O)CCCCC 34a_100016268518_200012276598 [0,1,0,0,0,0|2,0,0]=3 913 B13R0.338 CC/C=C\COCC(=O)NCCCC 34a_100016268518_100000182744 [0,1,0,0,0,0|2,0,0]=3 914 B13R0.338 CC/C=C\COCC(=O)NCCOC 34a_100016268518_100000183275 [0,1,0,0,0,0|3,0,0]=4 915 B13R0.338 CC/C=C\COCC(=O)OCCCC 34a_100016268518_100000211628 [0,1,0,0,0,0|2,0,0]=3 916 B13R0.338 CC/C=C\COCC(=O)OCCOC 34a_100016268518_200000040189 [0,1,0,0,0,0|3,0,0]=4 917 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_100103147603_200012276598 [0,1,0,0,0,0|2,0,0]=3 918 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_200012276598_100103147603 [0,1,0,0,0,0|2,0,0]=3 919 B13R0.338 CC/C=C\CSCC(=O)NCCCC 62a_100000182744_100103147603 [0,1,0,0,0,0|2,0,0]=3 920 B13R0.338 CC/C=C\CSCC(=O)NCCCC 62a_100103147603_100000182744 [0,1,0,0,0,0|2,0,0]=3 921 B13R0.338 CC/C=C\CSCC(=O)NCCOC 62a_100000183275_100103147603 [0,1,0,0,0,0|3,0,0]=4 922 B13R0.338 CC/C=C\CSCC(=O)NCCOC 62a_100103147603_100000183275 [0,1,0,0,0,0|3,0,0]=4 923 B13R0.338 CC/C=C\CSCC(=O)OCCCC 62a_100000211628_100103147603 [0,1,0,0,0,0|2,0,0]=3 924 B13R0.338 CC/C=C\CSCC(=O)OCCCC 62a_100103147603_100000211628 [0,1,0,0,0,0|2,0,0]=3 925 B13R0.338 CC/C=C\CSCC(=O)OCCOC 62a_100103147603_200000040189 [0,1,0,0,0,0|3,0,0]=4 926 B13R0.338 CC/C=C\CSCC(=O)OCCOC 62a_200000040189_100103147603 [0,1,0,0,0,0|3,0,0]=4 927 B13R0.338 CCC#CCC(C)OCC/C=C\CC 34a_200000035118_100015370543 [0,1,0,0,0,0|1,0,2]=4 928 B13R0.338 CCC#CCC(C)OCC/C=C\CC 7a_200000035118_100015370543 [0,1,0,0,0,0|1,0,2]=4 929 B13R0.338 CCC=CC=NNC(=O)CCCCC 4a_100000189784_100011216943 [0,1,0,0,0,0|2,0,1]=4 930 B13R0.338 CCCCCC(=O)NCCCOCC 11a_100000210961_100000212188 [0,1,0,0,0,0|2,0,1]=4 931 B13R0.338 CCCCCC(=O)NCCCOCC 1626a_100000210961_100000212188 [0,1,0,0,0,0|2,0,1]=4 932 B13R0.338 CCCCCC(=O)NCCCOCC 240690a_100000210961_100000212188 [0,1,0,0,0,0|2,0,1]=4 933 B13R0.338 CCCCCC(=O)NCCCOCC 527a_100000210961_100000212188 [0,1,0,0,0,0|2,0,1]=4 934 B13R0.338 CCCCCC(=O)NCCOCCC 1626a_100161115042_100000212188 [0,1,0,0,0,0|2,0,1]=4 935 B13R0.338 CCCCCC(=O)NCCOCCC 240690a_100161115042_100000212188 [0,1,0,0,0,0|2,0,1]=4 936 B13R0.338 CCCCCC(=O)NCCOCCC 527a_100161115042_100000212188 [0,1,0,0,0,0|2,0,1]=4 937 B13R0.338 CCCCCC(=O)NCCSCCC 11a_100020603323_100000212188 [0,1,0,0,0,0|2,0,1]=4 938 B13R0.338 CCCCCC(=O)NCCSCCC 240690a_100020603323_100000212188 [0,1,0,0,0,0|2,0,1]=4 939 B13R0.338 CCCCCC(=O)NCCSCCC 527a_100020603323_100000212188 [0,1,0,0,0,0|2,0,1]=4 940 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [0,1,0,0,0,0|1,0,2]=4 941 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [0,1,0,0,0,0|1,0,2]=4 942 B13R0.338 CCCCCCCC(=O)CCCCF 1458a_100000211969_100000729493 [0,1,0,0,0,0|1,0,2]=4 943 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,1,0,0,0,0|1,0,2]=4 944 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,1,0,0,0,0|1,0,2]=4 945 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000211969_100000740836 [0,1,0,0,0,0|1,0,2]=4 946 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000741012_100000210614 [0,1,0,0,0,0|1,0,2]=4 947 B13R0.338 CCCCCCCC(=O)CCCSC 1458a_100000173376_100000210614 [0,1,0,0,0,0|1,0,2]=4 948 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [0,1,0,0,0,0|1,0,2]=4 949 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [0,1,0,0,0,0|1,0,2]=4 950 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000211969_100000757381 [0,1,0,0,0,0|1,0,2]=4 951 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000230768_100000210614 [0,1,0,0,0,0|1,0,2]=4 952 B13R0.338 CCCCCCCC(=O)COCCC 1458a_100000745993_100000210614 [0,1,0,0,0,0|1,0,2]=4 953 B13R0.338 CCCCCCCC(=O)CSCCC 1458a_100000217233_100000210614 [0,1,0,0,0,0|1,0,2]=4 954 B13R0.338 CCCCCCCC(=O)NCCCC 11a_100000102301_100000211969 [0,1,0,0,0,0|1,0,2]=4 955 B13R0.338 CCCCCCCC(=O)NCCCC 1626a_100000102301_100000211969 [0,1,0,0,0,0|1,0,2]=4 956 B13R0.338 CCCCCCCC(=O)NCCCC 240690a_100000102301_100000211969 [0,1,0,0,0,0|1,0,2]=4 957 B13R0.338 CCCCCCCC(=O)NCCCC 527a_100000102301_100000211969 [0,1,0,0,0,0|1,0,2]=4 958 B13R0.338 CCCCCCNC(=O)CCCCC 11a_100000210581_100000212188 [0,1,0,0,0,0|1,0,2]=4 959 B13R0.338 CCCCCCNC(=O)CCCCC 1626a_100000210581_100000212188 [0,1,0,0,0,0|1,0,2]=4 960 B13R0.338 CCCCCCNC(=O)CCCCC 240690a_100000210581_100000212188 [0,1,0,0,0,0|1,0,2]=4 961 B13R0.338 CCCCCCNC(=O)CCCCC 527a_100000210581_100000212188 [0,1,0,0,0,0|1,0,2]=4 962 B13R0.338 CCCCCCNC(=O)CCCCO 1626a_100000210581_100000695505 [0,1,0,0,0,0|1,0,2]=4 963 B13R0.338 CCCCCCNC(=O)CCCOC 11a_100000210581_100000741012 [0,1,0,0,0,0|1,0,2]=4 964 B13R0.338 CCCCCCNC(=O)CCCOC 1626a_100000210581_100000741012 [0,1,0,0,0,0|1,0,2]=4 965 B13R0.338 CCCCCCNC(=O)CCCOC 240690a_100000210581_100000741012 [0,1,0,0,0,0|1,0,2]=4 966 B13R0.338 CCCCCCNC(=O)CCCOC 527a_100000210581_100000741012 [0,1,0,0,0,0|1,0,2]=4 967 B13R0.338 CCCCCCNC(=O)CCCSC 11a_100000210581_100000173376 [0,1,0,0,0,0|1,0,2]=4 968 B13R0.338 CCCCCCNC(=O)CCCSC 1626a_100000210581_100000173376 [0,1,0,0,0,0|1,0,2]=4 969 B13R0.338 CCCCCCNC(=O)CCCSC 240690a_100000210581_100000173376 [0,1,0,0,0,0|1,0,2]=4 970 B13R0.338 CCCCCCNC(=O)CCCSC 527a_100000210581_100000173376 [0,1,0,0,0,0|1,0,2]=4 971 B13R0.338 CCCCCCNC(=O)CCOCC 11a_100000210581_100000749530 [0,1,0,0,0,0|1,0,2]=4 972 B13R0.338 CCCCCCNC(=O)CCOCC 1626a_100000210581_100000749530 [0,1,0,0,0,0|1,0,2]=4 973 B13R0.338 CCCCCCNC(=O)CCOCC 240690a_100000210581_100000749530 [0,1,0,0,0,0|1,0,2]=4 974 B13R0.338 CCCCCCNC(=O)CCOCC 527a_100000210581_100000749530 [0,1,0,0,0,0|1,0,2]=4 975 B13R0.338 CCCCCCNC(=O)CCSCC 11a_100000210581_100000230768 [0,1,0,0,0,0|1,0,2]=4 976 B13R0.338 CCCCCCNC(=O)CCSCC 1626a_100000210581_100000230768 [0,1,0,0,0,0|1,0,2]=4 977 B13R0.338 CCCCCCNC(=O)CCSCC 240690a_100000210581_100000230768 [0,1,0,0,0,0|1,0,2]=4 978 B13R0.338 CCCCCCNC(=O)CCSCC 527a_100000210581_100000230768 [0,1,0,0,0,0|1,0,2]=4 979 B13R0.338 CCCCCCNC(=O)COCCC 11a_100000210581_100000745993 [0,1,0,0,0,0|1,0,2]=4 980 B13R0.338 CCCCCCNC(=O)COCCC 1626a_100000210581_100000745993 [0,1,0,0,0,0|1,0,2]=4 981 B13R0.338 CCCCCCNC(=O)COCCC 240690a_100000210581_100000745993 [0,1,0,0,0,0|1,0,2]=4 982 B13R0.338 CCCCCCNC(=O)COCCC 34a_100000210258_100000230325 [0,1,0,0,0,0|1,0,2]=4 983 B13R0.338 CCCCCCNC(=O)COCCC 527a_100000210581_100000745993 [0,1,0,0,0,0|1,0,2]=4 984 B13R0.338 CCCCCCNC(=O)CSCCC 11a_100000210581_100000217233 [0,1,0,0,0,0|1,0,2]=4 985 B13R0.338 CCCCCCNC(=O)CSCCC 1626a_100000210581_100000217233 [0,1,0,0,0,0|1,0,2]=4 986 B13R0.338 CCCCCCNC(=O)CSCCC 240690a_100000210581_100000217233 [0,1,0,0,0,0|1,0,2]=4 987 B13R0.338 CCCCCCNC(=O)CSCCC 527a_100000210581_100000217233 [0,1,0,0,0,0|1,0,2]=4 988 B13R0.338 CCCCCCNC(=O)CSCCC 62a_100000230325_100000210303 [0,1,0,0,0,0|1,0,2]=4 989 B13R0.338 CCCCCCNC(=O)NCCCC 2708a_100000102301_100000210581 [0,1,0,0,0,0|1,0,2]=4 990 B13R0.338 CCCCCCNC(=O)NCCCC 2708a_100000210581_100000102301 [0,1,0,0,0,0|1,0,2]=4 991 B13R0.338 CCCCCCNC(=O)NCCCC 273464a_100000102301_100000210581 [0,1,0,0,0,0|1,0,2]=4 992 B13R0.338 CCCCCCNC(=O)NCCCC 273464a_100000210581_100000102301 [0,1,0,0,0,0|1,0,2]=4 993 B13R0.338 CCCCCCNC(=O)NCCCC 512a_100000102301_100000210581 [0,1,0,0,0,0|1,0,2]=4 994 B13R0.338 CCCCCCNC(=O)NCCCC 512a_100000210581_100000102301 [0,1,0,0,0,0|1,0,2]=4 995 B13R0.338 CCCCNC(=O)NCCCOCC 2708a_100000102301_100000210961 [0,1,0,0,0,0|2,0,1]=4 996 B13R0.338 CCCCNC(=O)NCCCOCC 2708a_100000210961_100000102301 [0,1,0,0,0,0|2,0,1]=4 997 B13R0.338 CCCCNC(=O)NCCCOCC 273464a_100000102301_100000210961 [0,1,0,0,0,0|2,0,1]=4 998 B13R0.338 CCCCNC(=O)NCCCOCC 273464a_100000210961_100000102301 [0,1,0,0,0,0|2,0,1]=4 999 B13R0.338 CCCCNC(=O)NCCCOCC 512a_100000102301_100000210961 [0,1,0,0,0,0|2,0,1]=4 1000 B13R0.338 CCCCNC(=O)NCCCOCC 512a_100000210961_100000102301 [0,1,0,0,0,0|2,0,1]=4 1001 B13R0.338 CCCCNC(=O)NCCOCCC 2708a_100000102301_100161115042 [0,1,0,0,0,0|2,0,1]=4 1002 B13R0.338 CCCCNC(=O)NCCOCCC 2708a_100161115042_100000102301 [0,1,0,0,0,0|2,0,1]=4 1003 B13R0.338 CCCCNC(=O)NCCOCCC 273464a_100000102301_100161115042 [0,1,0,0,0,0|2,0,1]=4 1004 B13R0.338 CCCCNC(=O)NCCOCCC 273464a_100161115042_100000102301 [0,1,0,0,0,0|2,0,1]=4 1005 B13R0.338 CCCCNC(=O)NCCOCCC 512a_100000102301_100161115042 [0,1,0,0,0,0|2,0,1]=4 1006 B13R0.338 CCCCNC(=O)NCCOCCC 512a_100161115042_100000102301 [0,1,0,0,0,0|2,0,1]=4 1007 B13R0.338 CCCCNC(=O)NCCSCCC 2708a_100000102301_100020603323 [0,1,0,0,0,0|2,0,1]=4 1008 B13R0.338 CCCCNC(=O)NCCSCCC 2708a_100020603323_100000102301 [0,1,0,0,0,0|2,0,1]=4 1009 B13R0.338 CCCCNC(=O)NCCSCCC 273464a_100000102301_100020603323 [0,1,0,0,0,0|2,0,1]=4 1010 B13R0.338 CCCCNC(=O)NCCSCCC 273464a_100020603323_100000102301 [0,1,0,0,0,0|2,0,1]=4 1011 B13R0.338 CCCCNC(=O)NCCSCCC 512a_100000102301_100020603323 [0,1,0,0,0,0|2,0,1]=4 1012 B13R0.338 CCCCNC(=O)NCCSCCC 512a_100020603323_100000102301 [0,1,0,0,0,0|2,0,1]=4 1013 B13R0.338 CCCOCC(=O)NCCCOCC 11a_100000210961_100000745993 [0,1,0,0,0,0|2,0,1]=4 1014 B13R0.338 CCCOCC(=O)NCCCOCC 1626a_100000210961_100000745993 [0,1,0,0,0,0|2,0,1]=4 1015 B13R0.338 CCCOCC(=O)NCCCOCC 240690a_100000210961_100000745993 [0,1,0,0,0,0|2,0,1]=4 1016 B13R0.338 CCCOCC(=O)NCCCOCC 527a_100000210961_100000745993 [0,1,0,0,0,0|2,0,1]=4 1017 B13R0.338 CCCOCC(=O)NCCSCCC 11a_100020603323_100000745993 [0,1,0,0,0,0|2,0,1]=4 1018 B13R0.338 CCCOCC(=O)NCCSCCC 240690a_100020603323_100000745993 [0,1,0,0,0,0|2,0,1]=4 1019 B13R0.338 CCCOCC(=O)NCCSCCC 527a_100020603323_100000745993 [0,1,0,0,0,0|2,0,1]=4 1020 B13R0.338 CCCOCCNC(=O)CCCCO 1626a_100161115042_100000695505 [0,1,0,0,0,0|2,0,1]=4 1021 B13R0.338 CCCOCCNC(=O)CCCOC 1626a_100161115042_100000741012 [0,1,0,0,0,0|2,0,1]=4 1022 B13R0.338 CCCOCCNC(=O)CCCOC 240690a_100161115042_100000741012 [0,1,0,0,0,0|2,0,1]=4 1023 B13R0.338 CCCOCCNC(=O)CCCOC 527a_100161115042_100000741012 [0,1,0,0,0,0|2,0,1]=4 1024 B13R0.338 CCCOCCNC(=O)CCCSC 1626a_100161115042_100000173376 [0,1,0,0,0,0|2,0,1]=4 1025 B13R0.338 CCCOCCNC(=O)CCCSC 240690a_100161115042_100000173376 [0,1,0,0,0,0|2,0,1]=4 1026 B13R0.338 CCCOCCNC(=O)CCCSC 527a_100161115042_100000173376 [0,1,0,0,0,0|2,0,1]=4 1027 B13R0.338 CCCOCCNC(=O)CCOCC 1626a_100161115042_100000749530 [0,1,0,0,0,0|2,0,1]=4 1028 B13R0.338 CCCOCCNC(=O)CCOCC 240690a_100161115042_100000749530 [0,1,0,0,0,0|2,0,1]=4 1029 B13R0.338 CCCOCCNC(=O)CCOCC 527a_100161115042_100000749530 [0,1,0,0,0,0|2,0,1]=4 1030 B13R0.338 CCCOCCNC(=O)CCSCC 1626a_100161115042_100000230768 [0,1,0,0,0,0|2,0,1]=4 1031 B13R0.338 CCCOCCNC(=O)CCSCC 240690a_100161115042_100000230768 [0,1,0,0,0,0|2,0,1]=4 1032 B13R0.338 CCCOCCNC(=O)CCSCC 527a_100161115042_100000230768 [0,1,0,0,0,0|2,0,1]=4 1033 B13R0.338 CCCOCCNC(=O)COCCC 1626a_100161115042_100000745993 [0,1,0,0,0,0|2,0,1]=4 1034 B13R0.338 CCCOCCNC(=O)COCCC 240690a_100161115042_100000745993 [0,1,0,0,0,0|2,0,1]=4 1035 B13R0.338 CCCOCCNC(=O)COCCC 527a_100161115042_100000745993 [0,1,0,0,0,0|2,0,1]=4 1036 B13R0.338 CCCOCCNC(=O)CSCCC 1626a_100161115042_100000217233 [0,1,0,0,0,0|2,0,1]=4 1037 B13R0.338 CCCOCCNC(=O)CSCCC 240690a_100161115042_100000217233 [0,1,0,0,0,0|2,0,1]=4 1038 B13R0.338 CCCOCCNC(=O)CSCCC 527a_100161115042_100000217233 [0,1,0,0,0,0|2,0,1]=4 1039 B13R0.338 CCCSCC(=O)NCCCOCC 11a_100000210961_100000217233 [0,1,0,0,0,0|2,0,1]=4 1040 B13R0.338 CCCSCC(=O)NCCCOCC 1626a_100000210961_100000217233 [0,1,0,0,0,0|2,0,1]=4 1041 B13R0.338 CCCSCC(=O)NCCCOCC 240690a_100000210961_100000217233 [0,1,0,0,0,0|2,0,1]=4 1042 B13R0.338 CCCSCC(=O)NCCCOCC 527a_100000210961_100000217233 [0,1,0,0,0,0|2,0,1]=4 1043 B13R0.338 CCCSCCNC(=O)CCCOC 11a_100020603323_100000741012 [0,1,0,0,0,0|2,0,1]=4 1044 B13R0.338 CCCSCCNC(=O)CCCOC 240690a_100020603323_100000741012 [0,1,0,0,0,0|2,0,1]=4 1045 B13R0.338 CCCSCCNC(=O)CCCOC 527a_100020603323_100000741012 [0,1,0,0,0,0|2,0,1]=4 1046 B13R0.338 CCCSCCNC(=O)CCCSC 11a_100020603323_100000173376 [0,1,0,0,0,0|2,0,1]=4 1047 B13R0.338 CCCSCCNC(=O)CCCSC 240690a_100020603323_100000173376 [0,1,0,0,0,0|2,0,1]=4 1048 B13R0.338 CCCSCCNC(=O)CCCSC 527a_100020603323_100000173376 [0,1,0,0,0,0|2,0,1]=4 1049 B13R0.338 CCCSCCNC(=O)CCOCC 11a_100020603323_100000749530 [0,1,0,0,0,0|2,0,1]=4 1050 B13R0.338 CCCSCCNC(=O)CCOCC 240690a_100020603323_100000749530 [0,1,0,0,0,0|2,0,1]=4 1051 B13R0.338 CCCSCCNC(=O)CCOCC 527a_100020603323_100000749530 [0,1,0,0,0,0|2,0,1]=4 1052 B13R0.338 CCCSCCNC(=O)CCSCC 11a_100020603323_100000230768 [0,1,0,0,0,0|2,0,1]=4 1053 B13R0.338 CCCSCCNC(=O)CCSCC 240690a_100020603323_100000230768 [0,1,0,0,0,0|2,0,1]=4 1054 B13R0.338 CCCSCCNC(=O)CCSCC 527a_100020603323_100000230768 [0,1,0,0,0,0|2,0,1]=4 1055 B13R0.338 CCCSCCNC(=O)CSCCC 11a_100020603323_100000217233 [0,1,0,0,0,0|2,0,1]=4 1056 B13R0.338 CCCSCCNC(=O)CSCCC 240690a_100020603323_100000217233 [0,1,0,0,0,0|2,0,1]=4 1057 B13R0.338 CCCSCCNC(=O)CSCCC 527a_100020603323_100000217233 [0,1,0,0,0,0|2,0,1]=4 1058 B13R0.338 CCOCCCNC(=O)CCCCO 1626a_100000210961_100000695505 [0,1,0,0,0,0|2,0,1]=4 1059 B13R0.338 CCOCCCNC(=O)CCCOC 11a_100000210961_100000741012 [0,1,0,0,0,0|2,0,1]=4 1060 B13R0.338 CCOCCCNC(=O)CCCOC 1626a_100000210961_100000741012 [0,1,0,0,0,0|2,0,1]=4 1061 B13R0.338 CCOCCCNC(=O)CCCOC 240690a_100000210961_100000741012 [0,1,0,0,0,0|2,0,1]=4 1062 B13R0.338 CCOCCCNC(=O)CCCOC 527a_100000210961_100000741012 [0,1,0,0,0,0|2,0,1]=4 1063 B13R0.338 CCOCCCNC(=O)CCCSC 11a_100000210961_100000173376 [0,1,0,0,0,0|2,0,1]=4 1064 B13R0.338 CCOCCCNC(=O)CCCSC 1626a_100000210961_100000173376 [0,1,0,0,0,0|2,0,1]=4 1065 B13R0.338 CCOCCCNC(=O)CCCSC 240690a_100000210961_100000173376 [0,1,0,0,0,0|2,0,1]=4 1066 B13R0.338 CCOCCCNC(=O)CCCSC 527a_100000210961_100000173376 [0,1,0,0,0,0|2,0,1]=4 1067 B13R0.338 CCOCCCNC(=O)CCOCC 11a_100000210961_100000749530 [0,1,0,0,0,0|2,0,1]=4 1068 B13R0.338 CCOCCCNC(=O)CCOCC 1626a_100000210961_100000749530 [0,1,0,0,0,0|2,0,1]=4 1069 B13R0.338 CCOCCCNC(=O)CCOCC 240690a_100000210961_100000749530 [0,1,0,0,0,0|2,0,1]=4 1070 B13R0.338 CCOCCCNC(=O)CCOCC 527a_100000210961_100000749530 [0,1,0,0,0,0|2,0,1]=4 1071 B13R0.338 CCOCCCNC(=O)CCSCC 11a_100000210961_100000230768 [0,1,0,0,0,0|2,0,1]=4 1072 B13R0.338 CCOCCCNC(=O)CCSCC 1626a_100000210961_100000230768 [0,1,0,0,0,0|2,0,1]=4 1073 B13R0.338 CCOCCCNC(=O)CCSCC 240690a_100000210961_100000230768 [0,1,0,0,0,0|2,0,1]=4 1074 B13R0.338 CCOCCCNC(=O)CCSCC 527a_100000210961_100000230768 [0,1,0,0,0,0|2,0,1]=4 1075 B13R0.689 CC/C=C\CCOC(C)(C)CCCBr 7a_100009888830_100015370543 [0,1,0,0,0,0|2,0,1]=4 1076 B13R0.689 CC/C=C\CCOC(C)(C)CCCC 7a_100011219641_100015370543 [0,1,0,0,0,0|1,0,1]=3 1077 B13R0.1171 CC/C=C\CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100015370543 [0,1,0,0,0,0|2,0,1]=4 1078 B13R0.1171 CC/C=C\CCC(=O)C(=O)NCCC 1458a_200011297150_100015370543 [0,1,0,0,0,0|2,0,0]=3 1079 B13R0.1171 CC/C=C\CCC(=O)C(C)CCCC 1458a_100000725509_100015370543 [0,1,0,0,0,0|2,0,1]=4 1080 B13R0.1171 CC/C=C\CCC(=O)C(O)CCCC 1458a_100000720857_100015370543 [0,1,0,0,0,0|1,0,2]=4 1081 B13R0.1171 CC/C=C\CNC(C)C(=O)NCCC 2230a_100025744714_100103147603 [0,1,0,0,0,0|3,0,0]=4 1082 B13R0.1171 CC/C=C\CNC(C)C(=O)NCCC 34a_100025744714_100103147603 [0,1,0,0,0,0|3,0,0]=4 1083 B13R0.1171 CC/C=C\COC(C)C(=O)NCCC 34a_100016268518_100000230305 [0,1,0,0,0,0|3,0,0]=4 1084 B13R0.1171 CC/C=C\COC(C)C(=O)OCCC 34a_100000037348_100103147603 [0,1,0,0,0,0|3,0,0]=4 1085 B13R0.1171 CC/C=C\COC(C)C(=O)OCCC 34a_100016268518_100000760410 [0,1,0,0,0,0|3,0,0]=4 1086 B13R0.1171 CC/C=C\COC(C)C(=O)OCCC 7a_100000037348_100103147603 [0,1,0,0,0,0|3,0,0]=4 1087 B13R0.1171 CC/C=C\CSC(C)C(=O)NCCC 62a_100000230305_100103147603 [0,1,0,0,0,0|3,0,0]=4 1088 B13R0.1171 CC/C=C\CSC(C)C(=O)NCCC 62a_100103147603_100000230305 [0,1,0,0,0,0|3,0,0]=4 1089 B13R0.1171 CC/C=C\CSC(C)C(=O)OCCC 62a_100000760410_100103147603 [0,1,0,0,0,0|3,0,0]=4 1090 B13R0.1171 CC/C=C\CSC(C)C(=O)OCCC 62a_100103147603_100000760410 [0,1,0,0,0,0|3,0,0]=4 1091 B13R0.1171 CCCCCCC(C)C(=O)CCCC 1458a_100000210183_100011215978 [0,1,0,0,0,0|1,0,2]=4 1092 B13R0.1171 CCCCCCC(O)C(=O)CCCC 1458a_100011215828_100000210211 [0,1,0,0,0,0|1,0,2]=4 1093 B13R0.1171 CCCCCCN(C)C(=O)CCCC 11a_106256046315_100000210183 [0,1,0,0,0,0|1,0,2]=4 1094 B13R0.1171 CCCCCCN(C)C(=O)CCCC 1626a_106256046315_100000210183 [0,1,0,0,0,0|1,0,2]=4 1095 B13R0.1171 CCCCCCN(C)C(=O)CCCC 240690a_106256046315_100000210183 [0,1,0,0,0,0|1,0,2]=4 1096 B13R0.1171 CCCCCCN(C)C(=O)CCCC 527a_106256046315_100000210183 [0,1,0,0,0,0|1,0,2]=4 1097 B13R1.27 CC/C=C\CCOC1CCC(C1)C 34a_100000698185_100015370543 [0,0,0,1,0,0|1,0,1]=3 1098 B13R1.27 CC/C=C\CCOC1CCN(C1)C 7a_100016288707_200012183744 [0,0,0,1,0,0|2,0,1]=4 1099 B13R1.28 CC/C=C\CCNC1CCCCC1 2230a_100000182618_100015370543 [0,0,0,1,0,0|2,0,1]=4 1100 B13R1.28 CC/C=C\CCNC1CCCCC1 34a_100000182618_100015370543 [0,0,0,1,0,0|2,0,1]=4 1101 B13R1.28 CC/C=C\CCOC1C=CCCC1 34a_100011215024_100015370543 [0,0,0,1,0,0|1,0,2]=4 1102 B13R1.28 CC/C=C\CCOC1C=CCCC1 7a_100016288707_100000751183 [0,0,0,1,0,0|1,0,2]=4 1103 B13R1.28 CC/C=C\CCOC1CCCCC1 34a_100000210231_100015370543 [0,0,0,1,0,0|1,0,1]=3 1104 B13R1.28 CC/C=C\CCOC1CCCCC1 34a_100016288707_100000210327 [0,0,0,1,0,0|1,0,1]=3 1105 B13R1.28 CC/C=C\CCOC1CCCCC1 7a_100000210231_100015370543 [0,0,0,1,0,0|1,0,1]=3 1106 B13R1.28 CC/C=C\CCOC1CCCCC1 7a_100016288707_100000210327 [0,0,0,1,0,0|1,0,1]=3 1107 B13R1.28 CC/C=C\CCOC1CCCCO1 34a_100000033831_100015370543 [0,0,0,1,0,0|0,0,2]=3 1108 B13R1.28 CC/C=C\CCOC1CCCOC1 34a_100000754041_100015370543 [0,0,0,1,0,0|2,0,1]=4 1109 B13R1.28 CC/C=C\CCOC1CCCOC1 34a_100016288707_100000693364 [0,0,0,1,0,0|2,0,1]=4 1110 B13R1.28 CC/C=C\CCOC1CCCOC1 7a_100016288707_100000693364 [0,0,0,1,0,0|2,0,1]=4 1111 B13R1.28 CC/C=C\CCOC1CCCSC1 7a_100015962668_100015370543 [0,0,0,1,0,0|2,0,1]=4 1112 B13R1.28 CC/C=C\CCOC1CCOCC1 34a_100000744328_100015370543 [0,0,0,1,0,0|2,0,1]=4 1113 B13R1.28 CC/C=C\CCOC1CCOCC1 7a_100016288707_100000686592 [0,0,0,1,0,0|2,0,1]=4 1114 B13R1.28 CC/C=C\CCOC1CCSCC1 34a_100000731022_100015370543 [0,0,0,1,0,0|2,0,1]=4 1115 B13R1.28 CC/C=C\CCOC1CCSCC1 34a_100016288707_100000069128 [0,0,0,1,0,0|2,0,1]=4 1116 B13R1.28 CC/C=C\CCOC1CCSCC1 7a_100000731022_100015370543 [0,0,0,1,0,0|2,0,1]=4 1117 B13R1.28 CC/C=C\CCOC1CCSCC1 7a_100016288707_100011500858 [0,0,0,1,0,0|2,0,1]=4 1118 B13R1.28 CC/C=C\CCSC1CCCCC1 62a_100000210327_100015370543 [0,0,0,1,0,0|1,1,1]=4 1119 B13R1.28 CC/C=C\CCSC1CCCCC1 62a_100015370543_100000210327 [0,0,0,1,0,0|1,1,1]=4 1120 B13R1.44 CCCCC(=O)CC1CCCCC1 1458a_100000210183_100000211423 [0,0,0,1,0,0|1,0,2]=4 1121 B13R1.44 CCCCC(=O)CC1CCCCC1 1458a_100000211666_100000210211 [0,0,0,1,0,0|1,0,2]=4 1122 B13R1.44 CCCCC(=O)CC1CCCOC1 1458a_100000210183_100000741521 [0,0,0,1,0,0|2,0,1]=4 1123 B13R1.44 CCCCC(=O)CC1CCCOC1 1458a_100000741523_100000210211 [0,0,0,1,0,0|2,0,1]=4 1124 B13R1.44 CCCCC(=O)CC1CCOCC1 1458a_100000210183_100000754603 [0,0,0,1,0,0|2,0,1]=4 1125 B13R1.44 CCCCC(=O)CC1CCOCC1 1458a_100000757261_100000210211 [0,0,0,1,0,0|2,0,1]=4 1126 B13R1.44 CCCCC(=O)NC1CCCCC1 11a_100000182618_100000210183 [0,0,0,1,0,0|1,0,2]=4 1127 B13R1.44 CCCCC(=O)NC1CCCCC1 1626a_100000182618_100000210183 [0,0,0,1,0,0|1,0,2]=4 1128 B13R1.44 CCCCC(=O)NC1CCCCC1 240690a_100000182618_100000210183 [0,0,0,1,0,0|1,0,2]=4 1129 B13R1.44 CCCCC(=O)NC1CCCCC1 527a_100000182618_100000210183 [0,0,0,1,0,0|1,0,2]=4 1130 B13R1.44 CCCCC(=O)NC1CCCOC1 11a_100000719290_100000210183 [0,0,0,1,0,0|2,0,1]=4 1131 B13R1.44 CCCCC(=O)NC1CCCOC1 1626a_100000719290_100000210183 [0,0,0,1,0,0|2,0,1]=4 1132 B13R1.44 CCCCC(=O)NC1CCCOC1 240690a_100000719290_100000210183 [0,0,0,1,0,0|2,0,1]=4 1133 B13R1.44 CCCCC(=O)NC1CCCOC1 527a_100000719290_100000210183 [0,0,0,1,0,0|2,0,1]=4 1134 B13R1.44 CCCCC(=O)NC1CCOCC1 11a_100000741149_100000210183 [0,0,0,1,0,0|2,0,1]=4 1135 B13R1.44 CCCCC(=O)NC1CCOCC1 1626a_100000741149_100000210183 [0,0,0,1,0,0|2,0,1]=4 1136 B13R1.44 CCCCC(=O)NC1CCOCC1 240690a_100000741149_100000210183 [0,0,0,1,0,0|2,0,1]=4 1137 B13R1.44 CCCCC(=O)NC1CCOCC1 527a_100000741149_100000210183 [0,0,0,1,0,0|2,0,1]=4 1138 B13R1.44 CCCCC(=O)NC1CCSCC1 11a_100000748639_100000210183 [0,0,0,1,0,0|2,0,1]=4 1139 B13R1.44 CCCCC(=O)NC1CCSCC1 1626a_100000748639_100000210183 [0,0,0,1,0,0|2,0,1]=4 1140 B13R1.44 CCCCC(=O)NC1CCSCC1 240690a_100000748639_100000210183 [0,0,0,1,0,0|2,0,1]=4 1141 B13R1.44 CCCCC(=O)NC1CCSCC1 527a_100000748639_100000210183 [0,0,0,1,0,0|2,0,1]=4 1142 B13R1.44 CCCCC(C)OC1CC=CCC1 34a_100000073881_200011215066 [0,0,0,1,0,0|1,0,1]=3 1143 B13R1.44 CCCCN(C)CC1CC=CCC1 270004a_100000207549_100000189434 [0,0,0,1,0,0|3,0,0]=4 1144 B13R1.44 CCCNC(=O)CN1CC=CCC1 2230a_100000698166_100000183358 [0,0,0,1,0,0|3,0,0]=4 1145 B13R1.44 CCCNC(=O)CN1CC=CCC1 269982a_100000698166_100000183358 [0,0,0,1,0,0|3,0,0]=4 1146 B13R1.44 CCCNC(=O)CN1CC=CCC1 34a_100000698166_100000183358 [0,0,0,1,0,0|3,0,0]=4 1147 B13R1.44 CCCOC(=O)CN1CC=CCC1 2230a_100000698166_200011215008 [0,0,0,1,0,0|3,0,0]=4 1148 B13R1.44 CCCOC(=O)CN1CC=CCC1 269982a_100000698166_200011215008 [0,0,0,1,0,0|3,0,0]=4 1149 B13R1.44 CCCOC(=O)CN1CC=CCC1 34a_100000698166_200011215008 [0,0,0,1,0,0|3,0,0]=4 1150 B13R1.44 CCNCC(=O)OC1CCCCC1 2230a_100015525214_100000041653 [0,0,0,1,0,0|1,0,2]=4 1151 B13R1.44 CCOCC(=O)OC1CCCCC1 34a_100121572206_100000041653 [0,0,0,1,0,0|1,0,2]=4 1152 B13R1.44 CCSCC(=O)OC1CCCCC1 62a_100000041653_100000210202 [0,0,0,1,0,0|1,0,2]=4 1153 B13R1.44 CCSCC(=O)OC1CCCCC1 62a_100000210202_100000041653 [0,0,0,1,0,0|1,0,2]=4 1154 B13R1.153 CCCCC(=O)CCC1CCCC1 1458a_100000210183_100000760354 [0,0,0,1,0,0|1,0,2]=4 1155 B13R1.153 CCCCC(=O)CCC1CCCC1 1458a_100000211120_100000210211 [0,0,0,1,0,0|1,0,2]=4 1156 B13R1.153 CCCCC(=O)CCC1CCCO1 1458a_100011247709_100000210211 [0,0,0,1,0,0|2,0,1]=4 1157 B13R1.153 CCCCC(=O)NCC1CCCC1 11a_100000737975_100000210183 [0,0,0,1,0,0|1,0,2]=4 1158 B13R1.153 CCCCC(=O)NCC1CCCC1 1626a_100000737975_100000210183 [0,0,0,1,0,0|1,0,2]=4 1159 B13R1.153 CCCCC(=O)NCC1CCCC1 240690a_100000737975_100000210183 [0,0,0,1,0,0|1,0,2]=4 1160 B13R1.153 CCCCC(=O)NCC1CCCC1 527a_100000737975_100000210183 [0,0,0,1,0,0|1,0,2]=4 1161 B13R1.153 CCCCC(=O)NCC1CCOC1 11a_100000737293_100000210183 [0,0,0,1,0,0|2,0,1]=4 1162 B13R1.153 CCCCC(=O)NCC1CCOC1 1626a_100000737293_100000210183 [0,0,0,1,0,0|2,0,1]=4 1163 B13R1.153 CCCCC(=O)NCC1CCOC1 240690a_100000737293_100000210183 [0,0,0,1,0,0|2,0,1]=4 1164 B13R1.153 CCCCC(=O)NCC1CCOC1 527a_100000737293_100000210183 [0,0,0,1,0,0|2,0,1]=4 1165 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210183 [0,0,0,1,0,0|2,0,1]=4 1166 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210183 [0,0,0,1,0,0|2,0,1]=4 1167 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210183 [0,0,0,1,0,0|2,0,1]=4 1168 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210183 [0,0,0,1,0,0|2,0,1]=4 1169 B13R1.153 CCCCC(=O)NN=C1C=CCC1 4a_100000189769_100000239507 [0,0,0,1,0,0|2,0,1]=4 1170 B13R1.500 CCC=Cc1noc(n1)CCCC 270196a_100016260345_100000210183 [0,0,0,1,0,0|2,0,1]=4 1171 B13R1.555 CC/C=C\CCN1CCCCC1C 2230a_100000211376_100015370543 [0,0,0,1,0,0|2,0,1]=4 1172 B13R1.555 CC/C=C\CCN1CCCCC1C 269982a_100000211376_100015370543 [0,0,0,1,0,0|2,0,1]=4 1173 B13R1.555 CC/C=C\CCN1CCCCC1C 34a_100000211376_100015370543 [0,0,0,1,0,0|2,0,1]=4 1174 B13R1.555 CC/C=C\CNC1CCCNC1=O 2230a_100000747585_100103147603 [0,0,0,1,0,0|3,0,0]=4 1175 B13R1.555 CC/C=C\CNC1CCCNC1=O 34a_100000747585_100103147603 [0,0,0,1,0,0|3,0,0]=4 1176 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100011214950_100103147603 [0,0,0,1,0,0|2,0,0]=3 1177 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100016268518_100000754470 [0,0,0,1,0,0|2,0,0]=3 1178 B13R1.555 CC/C=C\COC1CCCNC1=O 34a_100000073722_100103147603 [0,0,0,1,0,0|3,0,0]=4 1179 B13R1.555 CC/C=C\COC1CCCNC1=O 34a_100016268518_100000687798 [0,0,0,1,0,0|3,0,0]=4 1180 B13R1.555 CC/C=C\COC1COCCC1=O 34a_100016268518_100012180262 [0,0,0,1,0,0|3,0,0]=4 1181 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100000204591_100103147603 [0,0,0,1,0,0|2,0,0]=3 1182 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100103147603_100000204591 [0,0,0,1,0,0|2,0,0]=3 1183 B13R1.555 CC/C=C\CSC1CCCNC1=O 62a_100000687798_100103147603 [0,0,0,1,0,0|3,0,0]=4 1184 B13R1.555 CC/C=C\CSC1CCCNC1=O 62a_100103147603_100000687798 [0,0,0,1,0,0|3,0,0]=4 1185 B13R1.555 CC/C=C\CSC1COCCC1=O 62a_100012180262_100103147603 [0,0,0,1,0,0|3,0,0]=4 1186 B13R1.555 CC/C=C\CSC1COCCC1=O 62a_100103147603_100012180262 [0,0,0,1,0,0|3,0,0]=4 1187 B13R1.555 CCCNCCN1CCCCC1=O 2230a_100160573077_100000210303 [0,0,0,1,0,0|2,0,1]=4 1188 B13R1.555 CCCNCCN1CCCCC1=O 34a_100160573077_100000210303 [0,0,0,1,0,0|2,0,1]=4 1189 B13R1.674 CCCCC(=O)C1CCCCC1C 1458a_100011215568_100000210211 [0,0,0,1,0,0|1,0,2]=4 1190 B13R1.674 CCCCC(=O)N1CCCCC1C 11a_100000211376_100000210183 [0,0,0,1,0,0|1,0,2]=4 1191 B13R1.674 CCCCC(=O)N1CCCCC1C 1626a_100000211376_100000210183 [0,0,0,1,0,0|1,0,2]=4 1192 B13R1.674 CCCCC(=O)N1CCCCC1C 240690a_100000211376_100000210183 [0,0,0,1,0,0|1,0,2]=4 1193 B13R1.674 CCCCC(=O)N1CCCCC1C 527a_100000211376_100000210183 [0,0,0,1,0,0|1,0,2]=4 1194 B13R1.674 CCCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210183 [0,0,0,1,0,0|2,0,1]=4 1195 B13R1.674 CCCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210183 [0,0,0,1,0,0|2,0,1]=4 1196 B13R1.674 CCCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210183 [0,0,0,1,0,0|2,0,1]=4 1197 B13R1.683 CCCCC(=O)NCCN1CCC1 240690a_100000691440_100000210183 [0,0,0,1,0,0|2,0,1]=4 1198 B13R1.684 CCCCC(=O)C1CCCN1CC 1458a_106256033941_100000210211 [0,0,0,1,0,0|2,0,1]=4 1199 B13R1.684 CCCCC(=O)N1CC=CC1CC 11a_100000730860_100000210183 [0,0,0,1,0,0|1,0,2]=4 1200 B13R1.684 CCCCC(=O)N1CC=CC1CC 1626a_100000730860_100000210183 [0,0,0,1,0,0|1,0,2]=4 1201 B13R1.684 CCCCC(=O)N1CC=CC1CC 240690a_100000730860_100000210183 [0,0,0,1,0,0|1,0,2]=4 1202 B13R1.684 CCCCC(=O)N1CC=CC1CC 527a_100000730860_100000210183 [0,0,0,1,0,0|1,0,2]=4 1203 B13R1.684 CCCCC(=O)N1CCCC1CC 11a_100000754278_100000210183 [0,0,0,1,0,0|1,0,2]=4 1204 B13R1.684 CCCCC(=O)N1CCCC1CC 1626a_100000754278_100000210183 [0,0,0,1,0,0|1,0,2]=4 1205 B13R1.684 CCCCC(=O)N1CCCC1CC 240690a_100000754278_100000210183 [0,0,0,1,0,0|1,0,2]=4 1206 B13R1.684 CCCCC(=O)N1CCCC1CC 527a_100000754278_100000210183 [0,0,0,1,0,0|1,0,2]=4 1207 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 2230a_100000687148_100015370543 [0,0,0,1,0,0|2,0,1]=4 1208 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 269982a_100000687148_100015370543 [0,0,0,1,0,0|2,0,1]=4 1209 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 34a_100000687148_100015370543 [0,0,0,1,0,0|2,0,1]=4 1210 B13R1.1148 CC/C=C\CN1CCCNC(=O)C1 2230a_100015190381_100103147603 [0,0,0,1,0,0|3,0,0]=4 1211 B13R1.2436 CC/C=C\CCOC1(CCCC1)C 34a_100000751722_100015370543 [0,0,0,1,0,0|1,0,1]=3 1212 B13R1.2436 CC/C=C\CCOC1(CCCC1)C 7a_100000751722_100015370543 [0,0,0,1,0,0|1,0,1]=3 1213 B13R1.2488 C#CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000753159 [0,0,0,1,0,0|1,0,2]=4 1214 B13R1.2488 C/C=C/CC(=O)C1CCC=CCC1 1458a_100000048548_100102629194 [0,0,0,1,0,0|1,0,2]=4 1215 B13R1.2488 C=CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000754431 [0,0,0,1,0,0|1,0,2]=4 1216 B13R1.2488 CC#CCC(=O)C1CCC=CCC1 1458a_100000048548_100000748600 [0,0,0,1,0,0|1,0,2]=4 1217 B13R1.2488 CC=CCC(=O)C1CCC=CCC1 1458a_100000048548_100000070051 [0,0,0,1,0,0|1,0,2]=4 1218 B13R1.2488 CCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210211 [0,0,0,1,0,0|1,0,0]=2 1219 B13R1.2488 CCCCC(=O)C1CCCCCC1 1458a_100000210183_100011217769 [0,0,0,1,0,0|1,0,2]=4 1220 B13R1.2488 CCCCC(=O)C1CCCCCC1 1458a_100000749507_100000210211 [0,0,0,1,0,0|1,0,2]=4 1221 B13R1.2488 CCCCC(=O)N1CCCCCC1 11a_100000185865_100000210183 [0,0,0,1,0,0|1,0,2]=4 1222 B13R1.2488 CCCCC(=O)N1CCCCCC1 1626a_100000185865_100000210183 [0,0,0,1,0,0|1,0,2]=4 1223 B13R1.2488 CCCCC(=O)N1CCCCCC1 240690a_100000185865_100000210183 [0,0,0,1,0,0|1,0,2]=4 1224 B13R1.2488 CCCCC(=O)N1CCCCCC1 527a_100000185865_100000210183 [0,0,0,1,0,0|1,0,2]=4 1225 B13R1.2488 CCCCC(=O)N1CCCOCC1 11a_100000685342_100000210183 [0,0,0,1,0,0|2,0,1]=4 1226 B13R1.2488 CCCCC(=O)N1CCCOCC1 1626a_100000685342_100000210183 [0,0,0,1,0,0|2,0,1]=4 1227 B13R1.2488 CCCCC(=O)N1CCCOCC1 240690a_100000685342_100000210183 [0,0,0,1,0,0|2,0,1]=4 1228 B13R1.2488 CCCCC(=O)N1CCCOCC1 527a_100000685342_100000210183 [0,0,0,1,0,0|2,0,1]=4 1229 B13R1.2488 CCCNC(=O)C1CCC=CCC1 11a_100020643023_100000048548 [0,0,0,1,0,0|2,0,0]=3 1230 B13R1.2488 CCCNC(=O)C1CCC=CCC1 1626a_100020643023_100000048548 [0,0,0,1,0,0|2,0,0]=3 1231 B13R1.2488 CCCNC(=O)C1CCC=CCC1 240690a_100020643023_100000048548 [0,0,0,1,0,0|2,0,0]=3 1232 B13R1.2488 CCCNC(=O)C1CCC=CCC1 527a_100020643023_100000048548 [0,0,0,1,0,0|2,0,0]=3 1233 B13R1.2488 CCNNC(=O)C1CCC=CCC1 22a_100000756455_100000048548 [0,0,0,1,0,0|3,0,0]=4 1234 B13R1.2488 COCCC(=O)C1CCC=CCC1 1458a_100000048548_100000233755 [0,0,0,1,0,0|2,0,0]=3 1235 B13R1.2488 CSCCC(=O)C1CCC=CCC1 1458a_100000048548_100000751147 [0,0,0,1,0,0|2,0,0]=3 1236 B13R1.2488 N#CCCC(=O)C1CCC=CCC1 1458a_100000048548_100011215226 [0,0,0,1,0,0|2,0,1]=4 1237 B13R1.2488 O=C(CCCF)C1CCC=CCC1 1458a_100000048548_100011934791 [0,0,0,1,0,0|2,0,0]=3 1238 B13R1.2488 O=C(CCCO)C1CCC=CCC1 1458a_100000048548_100011215043 [0,0,0,1,0,0|2,0,0]=3 1239 B13R1.2488 O=C(NCCF)C1CCC=CCC1 11a_100000724931_100000048548 [0,0,0,1,0,0|3,0,0]=4 1240 B13R1.2488 O=C(NCCF)C1CCC=CCC1 1626a_100000724931_100000048548 [0,0,0,1,0,0|3,0,0]=4 1241 B13R1.2488 O=C(NCCF)C1CCC=CCC1 240690a_100000724931_100000048548 [0,0,0,1,0,0|3,0,0]=4 1242 B13R1.2488 O=C(NCCF)C1CCC=CCC1 527a_100000724931_100000048548 [0,0,0,1,0,0|3,0,0]=4 1243 B13R1.2488 O=C(NCCO)C1CCC=CCC1 240690a_100000210304_100000048548 [0,0,0,1,0,0|3,0,0]=4 1244 B13R1.2488 O=C(NCCO)C1CCC=CCC1 527a_100000210304_100000048548 [0,0,0,1,0,0|3,0,0]=4 1245 B13R1.3572 CC/C=C\CCNC(C)C1CCC1 2230a_100016994624_100015370543 [0,0,0,1,0,0|2,0,1]=4 1246 B13R1.3572 CC/C=C\CCNC(C)C1CCC1 34a_100016994624_100015370543 [0,0,0,1,0,0|2,0,1]=4 1247 B13R1.3572 CC/C=C\CCOC(C)C1CCC1 34a_100000766398_100015370543 [0,0,0,1,0,0|1,0,1]=3 1248 B13R1.3572 CC/C=C\CCOC(C)C1CCC1 7a_100000766398_100015370543 [0,0,0,1,0,0|1,0,1]=3 1249 B13R1.3572 CC/C=C\COCC(=O)C1CCC1 34a_100016268518_100000686122 [0,0,0,1,0,0|2,0,0]=3 1250 B13R1.3572 CC/C=C\COCC(=O)N1CCC1 34a_100016268518_100000185095 [0,0,0,1,0,0|3,0,0]=4 1251 B13R1.3572 CC/C=C\CSCC(=O)C1CCC1 62a_100000686122_100103147603 [0,0,0,1,0,0|2,0,0]=3 1252 B13R1.3572 CC/C=C\CSCC(=O)C1CCC1 62a_100103147603_100000686122 [0,0,0,1,0,0|2,0,0]=3 1253 B13R1.3572 CC/C=C\CSCC(=O)N1CCC1 62a_100000185095_100103147603 [0,0,0,1,0,0|3,0,0]=4 1254 B13R1.3572 CC/C=C\CSCC(=O)N1CCC1 62a_100103147603_100000185095 [0,0,0,1,0,0|3,0,0]=4 1255 B13R1.3572 CCC=CC=NNC(=O)C1CCC1 4a_100000186373_100011216943 [0,0,0,1,0,0|2,0,1]=4 1256 B13R1.3572 CCCCCCCC(=O)C1CCC1 1458a_100000209988_100000210614 [0,0,0,1,0,0|1,0,2]=4 1257 B13R1.3572 CCCCCCCC(=O)C1CCC1 1458a_100000211969_100000749161 [0,0,0,1,0,0|1,0,2]=4 1258 B13R1.3572 CCCCCCNC(=O)C1CCC1 11a_100000210581_100000209988 [0,0,0,1,0,0|1,0,2]=4 1259 B13R1.3572 CCCCCCNC(=O)C1CCC1 1626a_100000210581_100000209988 [0,0,0,1,0,0|1,0,2]=4 1260 B13R1.3572 CCCCCCNC(=O)C1CCC1 240690a_100000210581_100000209988 [0,0,0,1,0,0|1,0,2]=4 1261 B13R1.3572 CCCCCCNC(=O)C1CCC1 527a_100000210581_100000209988 [0,0,0,1,0,0|1,0,2]=4 1262 B13R1.3572 CCCNCCNC(=O)C1CCC1 2230a_100000723847_100000210303 [0,0,0,1,0,0|2,0,1]=4 1263 B13R1.3572 CCCNCCNC(=O)C1CCC1 34a_100000723847_100000210303 [0,0,0,1,0,0|2,0,1]=4 1264 B13R1.3572 CCCOCCNC(=O)C1CCC1 1626a_100161115042_100000209988 [0,0,0,1,0,0|2,0,1]=4 1265 B13R1.3572 CCCOCCNC(=O)C1CCC1 240690a_100161115042_100000209988 [0,0,0,1,0,0|2,0,1]=4 1266 B13R1.3572 CCCOCCNC(=O)C1CCC1 527a_100161115042_100000209988 [0,0,0,1,0,0|2,0,1]=4 1267 B13R1.3572 CCCSCCNC(=O)C1CCC1 11a_100020603323_100000209988 [0,0,0,1,0,0|2,0,1]=4 1268 B13R1.3572 CCCSCCNC(=O)C1CCC1 240690a_100020603323_100000209988 [0,0,0,1,0,0|2,0,1]=4 1269 B13R1.3572 CCCSCCNC(=O)C1CCC1 527a_100020603323_100000209988 [0,0,0,1,0,0|2,0,1]=4 1270 B13R1.3572 CCOCCCNC(=O)C1CCC1 11a_100000210961_100000209988 [0,0,0,1,0,0|2,0,1]=4 1271 B13R1.3572 CCOCCCNC(=O)C1CCC1 1626a_100000210961_100000209988 [0,0,0,1,0,0|2,0,1]=4 1272 B13R1.3572 CCOCCCNC(=O)C1CCC1 240690a_100000210961_100000209988 [0,0,0,1,0,0|2,0,1]=4 1273 B13R1.3572 CCOCCCNC(=O)C1CCC1 527a_100000210961_100000209988 [0,0,0,1,0,0|2,0,1]=4 1274 B13R1.3574 CC/C=C\CNCC(=O)NC1CC1 2230a_100000702991_100103147603 [0,0,0,1,0,0|3,0,0]=4 1275 B13R1.3574 CC/C=C\COCC(=O)NC1CC1 34a_100016268518_100000182950 [0,0,0,1,0,0|3,0,0]=4 1276 B13R1.3574 CC/C=C\CSCC(=O)NC1CC1 62a_100000182950_100103147603 [0,0,0,1,0,0|3,0,0]=4 1277 B13R1.3574 CC/C=C\CSCC(=O)NC1CC1 62a_100103147603_100000182950 [0,0,0,1,0,0|3,0,0]=4 1278 B13R1.3574 CCCCCCCC(=O)CC1CC1 1458a_100000211969_100000742324 [0,0,0,1,0,0|1,0,2]=4 1279 B13R1.3574 CCCCCCCC(=O)CC1CC1 1458a_100000738066_100000210614 [0,0,0,1,0,0|1,0,2]=4 1280 B13R1.3574 CCCCCCNC(=O)CC1CC1 11a_100000210581_100000738066 [0,0,0,1,0,0|1,0,2]=4 1281 B13R1.3574 CCCCCCNC(=O)CC1CC1 1626a_100000210581_100000738066 [0,0,0,1,0,0|1,0,2]=4 1282 B13R1.3574 CCCCCCNC(=O)CC1CC1 240690a_100000210581_100000738066 [0,0,0,1,0,0|1,0,2]=4 1283 B13R1.3574 CCCCCCNC(=O)CC1CC1 527a_100000210581_100000738066 [0,0,0,1,0,0|1,0,2]=4 1284 B13R1.3574 CCCOCCNC(=O)CC1CC1 1626a_100161115042_100000738066 [0,0,0,1,0,0|2,0,1]=4 1285 B13R1.3574 CCCOCCNC(=O)CC1CC1 240690a_100161115042_100000738066 [0,0,0,1,0,0|2,0,1]=4 1286 B13R1.3574 CCCOCCNC(=O)CC1CC1 527a_100161115042_100000738066 [0,0,0,1,0,0|2,0,1]=4 1287 B13R1.3574 CCCSCCNC(=O)CC1CC1 11a_100020603323_100000738066 [0,0,0,1,0,0|2,0,1]=4 1288 B13R1.3574 CCCSCCNC(=O)CC1CC1 240690a_100020603323_100000738066 [0,0,0,1,0,0|2,0,1]=4 1289 B13R1.3574 CCCSCCNC(=O)CC1CC1 527a_100020603323_100000738066 [0,0,0,1,0,0|2,0,1]=4 1290 B13R1.3574 CCOCCCNC(=O)CC1CC1 11a_100000210961_100000738066 [0,0,0,1,0,0|2,0,1]=4 1291 B13R1.3574 CCOCCCNC(=O)CC1CC1 1626a_100000210961_100000738066 [0,0,0,1,0,0|2,0,1]=4 1292 B13R1.3574 CCOCCCNC(=O)CC1CC1 240690a_100000210961_100000738066 [0,0,0,1,0,0|2,0,1]=4 1293 B13R1.3574 CCOCCCNC(=O)CC1CC1 527a_100000210961_100000738066 [0,0,0,1,0,0|2,0,1]=4 1294 B13R1.3910 CCCC1C(=O)NCCN1CCC 2230a_200000695202_100000210303 [0,0,0,1,0,0|2,0,1]=4 1295 B13R1.3910 CCCC1C(=O)NCCN1CCC 269982a_200000695202_100000210303 [0,0,0,1,0,0|2,0,1]=4 1296 B13R1.3910 CCCC1C(=O)NCCN1CCC 34a_200000695202_100000210303 [0,0,0,1,0,0|2,0,1]=4 1297 B13R1.6366 CCC=CC=NNC(=O)C1CC1C 4a_100000189827_100011216943 [0,0,0,1,0,0|2,0,1]=4 1298 B13R1.6366 CCCCCCCC(=O)C1CC1C 1458a_100000211227_100000210614 [0,0,0,1,0,0|1,0,2]=4 1299 B13R1.6366 CCCCCCNC(=O)C1CC1C 11a_100000210581_100000211227 [0,0,0,1,0,0|1,0,2]=4 1300 B13R1.6366 CCCCCCNC(=O)C1CC1C 1626a_100000210581_100000211227 [0,0,0,1,0,0|1,0,2]=4 1301 B13R1.6366 CCCCCCNC(=O)C1CC1C 527a_100000210581_100000211227 [0,0,0,1,0,0|1,0,2]=4 1302 B13R1.6366 CCCOCCNC(=O)C1CC1C 1626a_100161115042_100000211227 [0,0,0,1,0,0|2,0,1]=4 1303 B13R1.6366 CCCOCCNC(=O)C1CC1C 527a_100161115042_100000211227 [0,0,0,1,0,0|2,0,1]=4 1304 B13R1.6366 CCCSCCNC(=O)C1CC1C 11a_100020603323_100000211227 [0,0,0,1,0,0|2,0,1]=4 1305 B13R1.6366 CCCSCCNC(=O)C1CC1C 527a_100020603323_100000211227 [0,0,0,1,0,0|2,0,1]=4 1306 B13R1.6366 CCOCCCNC(=O)C1CC1C 11a_100000210961_100000211227 [0,0,0,1,0,0|2,0,1]=4 1307 B13R1.6366 CCOCCCNC(=O)C1CC1C 1626a_100000210961_100000211227 [0,0,0,1,0,0|2,0,1]=4 1308 B13R1.6366 CCOCCCNC(=O)C1CC1C 527a_100000210961_100000211227 [0,0,0,1,0,0|2,0,1]=4 1309 B10R0.71 C#CCCOCC/C=C\CC 34a_100011215631_100015370543 [2,0,0,0,0,0|0,0,2]=4 1310 B10R0.71 C#CCCOCC/C=C\CC 34a_100016288707_100000688953 [2,0,0,0,0,0|0,0,2]=4 1311 B10R0.71 C#CCCOCC/C=C\CC 7a_100016288707_100000688953 [2,0,0,0,0,0|0,0,2]=4 1312 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [2,0,0,0,0,0|0,0,2]=4 1313 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [2,0,0,0,0,0|0,0,1]=3 1314 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [2,0,0,0,0,0|1,0,1]=4 1315 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [2,0,0,0,0,0|1,0,1]=4 1316 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [2,0,0,0,0,0|1,0,1]=4 1317 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [2,0,0,0,0,0|1,0,1]=4 1318 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [2,0,0,0,0,0|1,0,1]=4 1319 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016270725_100015370543 [2,0,0,0,0,0|0,0,2]=4 1320 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016288707_100102629194 [2,0,0,0,0,0|0,0,2]=4 1321 B10R0.71 C/C=C/COCC/C=C\CC 7a_100016288707_100102629194 [2,0,0,0,0,0|0,0,2]=4 1322 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [2,0,0,0,0,0|0,0,2]=4 1323 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [2,0,0,0,0,0|0,0,2]=4 1324 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [2,0,0,0,0,0|0,0,2]=4 1325 B10R0.71 CC#CCOCC/C=C\CC 34a_100000761923_100015370543 [2,0,0,0,0,0|0,0,2]=4 1326 B10R0.71 CC#CCOCC/C=C\CC 34a_100016288707_100000748600 [2,0,0,0,0,0|0,0,2]=4 1327 B10R0.71 CC#CCOCC/C=C\CC 7a_100016288707_100000748600 [2,0,0,0,0,0|0,0,2]=4 1328 B10R0.71 CC/C=C/C/C=C/CCOC 34a_200016273837_200000210301 [2,0,0,0,0,0|1,0,1]=4 1329 B10R0.71 CC/C=C/C/C=C/CCOC 7a_200016273837_200000210301 [2,0,0,0,0,0|1,0,1]=4 1330 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 34a_200016273837_200025704644 [2,0,0,0,0,0|1,0,1]=4 1331 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 7a_200016273837_200025704644 [2,0,0,0,0,0|1,0,1]=4 1332 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [2,0,0,0,0,0|1,0,1]=4 1333 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [2,0,0,0,0,0|1,0,1]=4 1334 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [2,0,0,0,0,0|1,0,1]=4 1335 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [2,0,0,0,0,0|1,0,1]=4 1336 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [2,0,0,0,0,0|1,0,1]=4 1337 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [2,0,0,0,0,0|1,0,1]=4 1338 B10R0.71 CC/C=C\CCC=NNCC 4a_100000756455_100016279218 [2,0,0,0,0,0|2,0,0]=4 1339 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [2,0,0,0,0,0|1,0,1]=4 1340 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [2,0,0,0,0,0|1,0,1]=4 1341 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [2,0,0,0,0,0|1,0,1]=4 1342 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [2,0,0,0,0,0|1,0,1]=4 1343 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [2,0,0,0,0,0|1,0,1]=4 1344 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [2,0,0,0,0,0|1,0,1]=4 1345 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [2,0,0,0,0,0|1,0,1]=4 1346 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [2,0,0,0,0,0|1,0,0]=3 1347 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [2,0,0,0,0,0|1,0,0]=3 1348 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [2,0,0,0,0,0|2,0,0]=4 1349 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [2,0,0,0,0,0|2,0,0]=4 1350 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [2,0,0,0,0,0|2,0,0]=4 1351 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [2,0,0,0,0,0|2,0,0]=4 1352 B10R0.71 CC/C=C\CCOCCC#N 7a_100016288707_100000184422 [2,0,0,0,0,0|1,0,1]=4 1353 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [2,0,0,0,0,0|1,0,0]=3 1354 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [2,0,0,0,0,0|0,0,0]=2 1355 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [2,0,0,0,0,0|0,0,0]=2 1356 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [2,0,0,0,0,0|0,0,0]=2 1357 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [2,0,0,0,0,0|0,0,0]=2 1358 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [2,0,0,0,0,0|1,0,0]=3 1359 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [2,0,0,0,0,0|1,0,0]=3 1360 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [2,0,0,0,0,0|1,0,0]=3 1361 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [2,0,0,0,0,0|1,0,0]=3 1362 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [2,0,0,0,0,0|1,0,0]=3 1363 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [2,0,0,0,0,0|1,0,0]=3 1364 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [2,0,0,0,0,0|1,0,0]=3 1365 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [2,0,0,0,0,0|1,0,0]=3 1366 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [2,0,0,0,0,0|1,0,0]=3 1367 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [2,0,0,0,0,0|1,0,0]=3 1368 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [2,0,0,0,0,0|2,0,0]=4 1369 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [2,0,0,0,0,0|1,0,0]=3 1370 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [2,0,0,0,0,0|1,0,0]=3 1371 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [2,0,0,0,0,0|1,0,0]=3 1372 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [2,0,0,0,0,0|1,0,0]=3 1373 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [2,0,0,0,0,0|0,1,0]=3 1374 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [2,0,0,0,0,0|0,1,0]=3 1375 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [2,0,0,0,0,0|1,1,0]=4 1376 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [2,0,0,0,0,0|1,1,0]=4 1377 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [2,0,0,0,0,0|1,1,0]=4 1378 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [2,0,0,0,0,0|1,1,0]=4 1379 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [2,0,0,0,0,0|1,1,0]=4 1380 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [2,0,0,0,0,0|1,1,0]=4 1381 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [2,0,0,0,0,0|1,1,0]=4 1382 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [2,0,0,0,0,0|1,1,0]=4 1383 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [2,0,0,0,0,0|1,1,0]=4 1384 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [2,0,0,0,0,0|1,1,0]=4 1385 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [2,0,0,0,0,0|1,0,1]=4 1386 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [2,0,0,0,0,0|1,0,1]=4 1387 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [2,0,0,0,0,0|0,0,1]=3 1388 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [2,0,0,0,0,0|0,0,1]=3 1389 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [2,0,0,0,0,0|0,0,1]=3 1390 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [2,0,0,0,0,0|1,0,1]=4 1391 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [2,0,0,0,0,0|1,0,1]=4 1392 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [2,0,0,0,0,0|1,0,1]=4 1393 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [2,0,0,0,0,0|1,0,1]=4 1394 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [2,0,0,0,0,0|1,0,1]=4 1395 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [2,0,0,0,0,0|1,0,1]=4 1396 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [2,0,0,0,0,0|1,0,1]=4 1397 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [2,0,0,0,0,0|1,0,1]=4 1398 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [2,0,0,0,0,0|1,0,1]=4 1399 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [2,0,0,0,0,0|1,0,1]=4 1400 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [2,0,0,0,0,0|1,0,1]=4 1401 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [2,0,0,0,0,0|1,0,1]=4 1402 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [2,0,0,0,0,0|1,0,1]=4 1403 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [2,0,0,0,0,0|1,0,1]=4 1404 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [2,0,0,0,0,0|1,0,1]=4 1405 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [2,0,0,0,0,0|1,0,1]=4 1406 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [2,0,0,0,0,0|1,0,1]=4 1407 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [2,0,0,0,0,0|1,0,1]=4 1408 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [2,0,0,0,0,0|1,0,1]=4 1409 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [2,0,0,0,0,0|0,1,1]=4 1410 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [2,0,0,0,0,0|0,1,1]=4 1411 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [2,0,0,0,0,0|0,0,2]=4 1412 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [2,0,0,0,0,0|0,0,2]=4 1413 B10R0.71 CC=CCOCC/C=C\CC 34a_100016288707_100000070051 [2,0,0,0,0,0|0,0,2]=4 1414 B10R0.71 CC=CCOCC/C=C\CC 7a_100016288707_100000070051 [2,0,0,0,0,0|0,0,2]=4 1415 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [2,0,0,0,0,0|0,0,2]=4 1416 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [2,0,0,0,0,0|0,0,2]=4 1417 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [2,0,0,0,0,0|0,0,2]=4 1418 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [2,0,0,0,0,0|0,0,2]=4 1419 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [2,0,0,0,0,0|2,0,0]=4 1420 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [2,0,0,0,0,0|2,0,0]=4 1421 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [2,0,0,0,0,0|0,0,2]=4 1422 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [2,0,0,0,0,0|0,0,2]=4 1423 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [2,0,0,0,0,0|0,0,2]=4 1424 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [2,0,0,0,0,0|0,0,2]=4 1425 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [2,0,0,0,0,0|0,0,2]=4 1426 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [2,0,0,0,0,0|0,0,2]=4 1427 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [2,0,0,0,0,0|1,0,1]=4 1428 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [2,0,0,0,0,0|1,0,1]=4 1429 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [2,0,0,0,0,0|1,0,1]=4 1430 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [2,0,0,0,0,0|1,0,1]=4 1431 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [2,0,0,0,0,0|1,0,1]=4 1432 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [2,0,0,0,0,0|1,0,1]=4 1433 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [2,0,0,0,0,0|1,0,1]=4 1434 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [2,0,0,0,0,0|1,0,1]=4 1435 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [2,0,0,0,0,0|1,0,1]=4 1436 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [2,0,0,0,0,0|1,0,1]=4 1437 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [2,0,0,0,0,0|1,0,1]=4 1438 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [2,0,0,0,0,0|1,0,1]=4 1439 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [2,0,0,0,0,0|1,0,1]=4 1440 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [2,0,0,0,0,0|1,0,1]=4 1441 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [2,0,0,0,0,0|1,0,1]=4 1442 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [2,0,0,0,0,0|1,0,1]=4 1443 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [2,0,0,0,0,0|1,0,1]=4 1444 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [2,0,0,0,0,0|1,0,1]=4 1445 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [2,0,0,0,0,0|1,0,1]=4 1446 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [2,0,0,0,0,0|1,0,1]=4 1447 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [2,0,0,0,0,0|1,0,1]=4 1448 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [2,0,0,0,0,0|1,0,1]=4 1449 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [2,0,0,0,0,0|1,0,1]=4 1450 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [2,0,0,0,0,0|1,0,1]=4 1451 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [2,0,0,0,0,0|1,0,1]=4 1452 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [2,0,0,0,0,0|1,0,1]=4 1453 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [2,0,0,0,0,0|1,0,1]=4 1454 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [2,0,0,0,0,0|1,0,1]=4 1455 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [2,0,0,0,0,0|1,0,1]=4 1456 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [2,0,0,0,0,0|1,0,1]=4 1457 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [2,0,0,0,0,0|1,0,1]=4 1458 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [2,0,0,0,0,0|0,0,2]=4 1459 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [2,0,0,0,0,0|1,0,1]=4 1460 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [2,0,0,0,0,0|2,0,0]=4 1461 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [2,0,0,0,0,0|2,0,0]=4 1462 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [2,0,0,0,0,0|0,0,2]=4 1463 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [2,0,0,0,0,0|0,0,2]=4 1464 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [2,0,0,0,0,0|1,0,1]=4 1465 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [2,0,0,0,0,0|0,0,0]=2 1466 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [2,0,0,0,0,0|1,0,0]=3 1467 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [2,0,0,0,0,0|1,0,0]=3 1468 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [2,0,0,0,0,0|1,0,0]=3 1469 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [2,0,0,0,0,0|2,0,0]=4 1470 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [2,0,0,0,0,0|2,0,0]=4 1471 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [2,0,0,0,0,0|1,0,1]=4 1472 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [2,0,0,0,0,0|1,0,1]=4 1473 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [2,0,0,0,0,0|1,0,1]=4 1474 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [2,0,0,0,0,0|0,0,2]=4 1475 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [2,0,0,0,0,0|2,0,0]=4 1476 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [2,0,0,0,0,0|2,0,0]=4 1477 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [2,0,0,0,0,0|0,0,2]=4 1478 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [2,0,0,0,0,0|1,0,1]=4 1479 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [2,0,0,0,0,0|2,0,0]=4 1480 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [2,0,0,0,0,0|2,0,0]=4 1481 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [2,0,0,0,0,0|2,0,0]=4 1482 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [2,0,0,0,0,0|2,0,0]=4 1483 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [2,0,0,0,0,0|2,0,0]=4 1484 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [2,0,0,0,0,0|2,0,0]=4 1485 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [2,0,0,0,0,0|2,0,0]=4 1486 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [2,0,0,0,0,0|2,0,0]=4 1487 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [2,0,0,0,0,0|0,0,2]=4 1488 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [2,0,0,0,0,0|0,0,2]=4 1489 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [2,0,0,0,0,0|1,0,1]=4 1490 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [2,0,0,0,0,0|1,0,1]=4 1491 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [2,0,0,0,0,0|1,0,1]=4 1492 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [2,0,0,0,0,0|1,0,1]=4 1493 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [2,0,0,0,0,0|1,0,1]=4 1494 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [2,0,0,0,0,0|1,0,1]=4 1495 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [2,0,0,0,0,0|1,0,1]=4 1496 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [2,0,0,0,0,0|2,0,0]=4 1497 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [2,0,0,0,0,0|2,0,0]=4 1498 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [2,0,0,0,0,0|2,0,0]=4 1499 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [2,0,0,0,0,0|2,0,0]=4 1500 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [2,0,0,0,0,0|2,0,0]=4 1501 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [2,0,0,0,0,0|2,0,0]=4 1502 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [2,0,0,0,0,0|2,0,0]=4 1503 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [2,0,0,0,0,0|2,0,0]=4 1504 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [2,0,0,0,0,0|1,0,1]=4 1505 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [2,0,0,0,0,0|1,0,1]=4 1506 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [2,0,0,0,0,0|1,0,1]=4 1507 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [2,0,0,0,0,0|2,0,0]=4 1508 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [2,0,0,0,0,0|2,0,0]=4 1509 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [2,0,0,0,0,0|2,0,0]=4 1510 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [2,0,0,0,0,0|1,0,1]=4 1511 B10R0.91 C#CCCC(=O)C/C=C/CC 1458a_100016274230_100000753159 [2,0,0,0,0,0|0,0,2]=4 1512 B10R0.91 C#CCCC(=O)C/C=C\CC 1458a_100000692101_100103147603 [2,0,0,0,0,0|0,0,2]=4 1513 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [2,0,0,0,0,0|0,0,2]=4 1514 B10R0.91 C/C=C/CC(=O)C/C=C/CC 1458a_100016274230_100102629194 [2,0,0,0,0,0|0,0,2]=4 1515 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [2,0,0,0,0,0|1,0,1]=4 1516 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [2,0,0,0,0,0|1,0,1]=4 1517 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [2,0,0,0,0,0|1,0,1]=4 1518 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [2,0,0,0,0,0|0,0,2]=4 1519 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [2,0,0,0,0,0|0,0,2]=4 1520 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [2,0,0,0,0,0|1,0,0]=3 1521 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [2,0,0,0,0,0|1,0,0]=3 1522 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [2,0,0,0,0,0|2,0,0]=4 1523 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [2,0,0,0,0,0|2,0,0]=4 1524 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [2,0,0,0,0,0|2,0,0]=4 1525 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [2,0,0,0,0,0|2,0,0]=4 1526 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [2,0,0,0,0,0|2,0,0]=4 1527 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [2,0,0,0,0,0|2,0,0]=4 1528 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [2,0,0,0,0,0|2,0,0]=4 1529 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [2,0,0,0,0,0|2,0,0]=4 1530 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [2,0,0,0,0,0|2,0,0]=4 1531 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [2,0,0,0,0,0|2,0,0]=4 1532 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [2,0,0,0,0,0|2,0,0]=4 1533 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [2,0,0,0,0,0|2,0,0]=4 1534 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [2,0,0,0,0,0|1,0,0]=3 1535 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [2,0,0,0,0,0|1,0,0]=3 1536 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [2,0,0,0,0,0|1,0,0]=3 1537 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [2,0,0,0,0,0|1,0,0]=3 1538 B10R0.91 C=CCCNC(=O)CCOC 11a_100015191253_100000749529 [2,0,0,0,0,0|2,0,0]=4 1539 B10R0.91 C=CCCNC(=O)CCOC 1626a_100015191253_100000749529 [2,0,0,0,0,0|2,0,0]=4 1540 B10R0.91 C=CCCNC(=O)CCOC 240690a_100015191253_100000749529 [2,0,0,0,0,0|2,0,0]=4 1541 B10R0.91 C=CCCNC(=O)CCOC 527a_100015191253_100000749529 [2,0,0,0,0,0|2,0,0]=4 1542 B10R0.91 C=CCCNC(=O)CCSC 11a_100015191253_100000174002 [2,0,0,0,0,0|2,0,0]=4 1543 B10R0.91 C=CCCNC(=O)CCSC 1626a_100015191253_100000174002 [2,0,0,0,0,0|2,0,0]=4 1544 B10R0.91 C=CCCNC(=O)CCSC 240690a_100015191253_100000174002 [2,0,0,0,0,0|2,0,0]=4 1545 B10R0.91 C=CCCNC(=O)CCSC 527a_100015191253_100000174002 [2,0,0,0,0,0|2,0,0]=4 1546 B10R0.91 C=CCCNC(=O)COCC 11a_100015191253_100000211967 [2,0,0,0,0,0|2,0,0]=4 1547 B10R0.91 C=CCCNC(=O)COCC 1626a_100015191253_100000211967 [2,0,0,0,0,0|2,0,0]=4 1548 B10R0.91 C=CCCNC(=O)COCC 240690a_100015191253_100000211967 [2,0,0,0,0,0|2,0,0]=4 1549 B10R0.91 C=CCCNC(=O)COCC 527a_100015191253_100000211967 [2,0,0,0,0,0|2,0,0]=4 1550 B10R0.91 C=CCCNC(=O)CSCC 11a_100015191253_100000230394 [2,0,0,0,0,0|2,0,0]=4 1551 B10R0.91 C=CCCNC(=O)CSCC 1626a_100015191253_100000230394 [2,0,0,0,0,0|2,0,0]=4 1552 B10R0.91 C=CCCNC(=O)CSCC 240690a_100015191253_100000230394 [2,0,0,0,0,0|2,0,0]=4 1553 B10R0.91 C=CCCNC(=O)CSCC 527a_100015191253_100000230394 [2,0,0,0,0,0|2,0,0]=4 1554 B10R0.91 C=CCCNC(=O)NCCC 2708a_100015191253_100020643023 [2,0,0,0,0,0|2,0,0]=4 1555 B10R0.91 C=CCCNC(=O)NCCC 2708a_100020643023_100015191253 [2,0,0,0,0,0|2,0,0]=4 1556 B10R0.91 C=CCCNC(=O)NCCC 273464a_100015191253_100020643023 [2,0,0,0,0,0|2,0,0]=4 1557 B10R0.91 C=CCCNC(=O)NCCC 273464a_100020643023_100015191253 [2,0,0,0,0,0|2,0,0]=4 1558 B10R0.91 C=CCCNC(=O)NCCC 512a_100015191253_100020643023 [2,0,0,0,0,0|2,0,0]=4 1559 B10R0.91 C=CCCNC(=O)NCCC 512a_100020643023_100015191253 [2,0,0,0,0,0|2,0,0]=4 1560 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [2,0,0,0,0,0|1,0,1]=4 1561 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [2,0,0,0,0,0|1,0,1]=4 1562 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [2,0,0,0,0,0|1,0,1]=4 1563 B10R0.91 C=CCNNC(=O)CCCC 22a_100020588587_100000210183 [2,0,0,0,0,0|2,0,0]=4 1564 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [2,0,0,0,0,0|2,0,0]=4 1565 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [2,0,0,0,0,0|1,0,1]=4 1566 B10R0.91 CC#CCC(=O)C/C=C/CC 1458a_100016274230_100000748600 [2,0,0,0,0,0|0,0,2]=4 1567 B10R0.91 CC/C=C/CC(=O)CCC#N 1458a_100016274230_100011215226 [2,0,0,0,0,0|1,0,1]=4 1568 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [2,0,0,0,0,0|0,0,0]=2 1569 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [2,0,0,0,0,0|1,0,0]=3 1570 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [2,0,0,0,0,0|1,0,0]=3 1571 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [2,0,0,0,0,0|1,0,0]=3 1572 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [2,0,0,0,0,0|1,0,0]=3 1573 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [2,0,0,0,0,0|1,0,0]=3 1574 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [2,0,0,0,0,0|1,0,0]=3 1575 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [2,0,0,0,0,0|1,0,0]=3 1576 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [2,0,0,0,0,0|1,0,0]=3 1577 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [2,0,0,0,0,0|2,0,0]=4 1578 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [2,0,0,0,0,0|2,0,0]=4 1579 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [2,0,0,0,0,0|2,0,0]=4 1580 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [2,0,0,0,0,0|2,0,0]=4 1581 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [2,0,0,0,0,0|2,0,0]=4 1582 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [2,0,0,0,0,0|2,0,0]=4 1583 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [2,0,0,0,0,0|2,0,0]=4 1584 B10R0.91 CC/C=C\CC(=O)CCC#N 1458a_100011934036_100103147603 [2,0,0,0,0,0|1,0,1]=4 1585 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [2,0,0,0,0,0|0,0,0]=2 1586 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [2,0,0,0,0,0|1,0,0]=3 1587 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [2,0,0,0,0,0|1,0,0]=3 1588 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [2,0,0,0,0,0|1,0,0]=3 1589 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [2,0,0,0,0,0|1,0,0]=3 1590 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [2,0,0,0,0,0|2,0,0]=4 1591 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [2,0,0,0,0,0|2,0,0]=4 1592 B10R0.91 CC=CCC(=O)C/C=C/CC 1458a_100016274230_100000070051 [2,0,0,0,0,0|0,0,2]=4 1593 B10R0.91 CC=CCC(=O)C/C=C\CC 1458a_100121576822_100103147603 [2,0,0,0,0,0|0,0,2]=4 1594 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [2,0,0,0,0,0|1,0,1]=4 1595 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [2,0,0,0,0,0|1,0,1]=4 1596 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [2,0,0,0,0,0|0,0,2]=4 1597 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [2,0,0,0,0,0|0,0,2]=4 1598 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [2,0,0,0,0,0|0,0,2]=4 1599 B10R0.91 CCC=NNC(=O)CCCC 4a_100000189769_100000210100 [2,0,0,0,0,0|2,0,0]=4 1600 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [2,0,0,0,0,0|1,0,1]=4 1601 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [2,0,0,0,0,0|0,0,2]=4 1602 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [2,0,0,0,0,0|1,0,1]=4 1603 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [2,0,0,0,0,0|1,0,1]=4 1604 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [2,0,0,0,0,0|1,0,1]=4 1605 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [2,0,0,0,0,0|1,0,1]=4 1606 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [2,0,0,0,0,0|1,0,1]=4 1607 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [2,0,0,0,0,0|1,0,1]=4 1608 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [2,0,0,0,0,0|1,0,1]=4 1609 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [2,0,0,0,0,0|1,0,0]=3 1610 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [2,0,0,0,0,0|1,0,0]=3 1611 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [2,0,0,0,0,0|1,0,0]=3 1612 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [2,0,0,0,0,0|1,0,0]=3 1613 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [2,0,0,0,0,0|1,0,1]=4 1614 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [2,0,0,0,0,0|1,0,1]=4 1615 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [2,0,0,0,0,0|2,0,0]=4 1616 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [2,0,0,0,0,0|2,0,0]=4 1617 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [2,0,0,0,0,0|2,0,0]=4 1618 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [2,0,0,0,0,0|2,0,0]=4 1619 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [2,0,0,0,0,0|2,0,0]=4 1620 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [2,0,0,0,0,0|2,0,0]=4 1621 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [2,0,0,0,0,0|2,0,0]=4 1622 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [2,0,0,0,0,0|2,0,0]=4 1623 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [2,0,0,0,0,0|2,0,0]=4 1624 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [2,0,0,0,0,0|2,0,0]=4 1625 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [2,0,0,0,0,0|2,0,0]=4 1626 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [2,0,0,0,0,0|2,0,0]=4 1627 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [2,0,0,0,0,0|2,0,0]=4 1628 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [2,0,0,0,0,0|2,0,0]=4 1629 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [2,0,0,0,0,0|0,0,1]=3 1630 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [2,0,0,0,0,0|0,0,1]=3 1631 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [2,0,0,0,0,0|1,0,1]=4 1632 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [2,0,0,0,0,0|1,0,1]=4 1633 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [2,0,0,0,0,0|1,0,1]=4 1634 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [2,0,0,0,0,0|1,0,1]=4 1635 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [2,0,0,0,0,0|1,0,1]=4 1636 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [2,0,0,0,0,0|1,0,1]=4 1637 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [2,0,0,0,0,0|1,0,1]=4 1638 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [2,0,0,0,0,0|1,0,1]=4 1639 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [2,0,0,0,0,0|1,0,1]=4 1640 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [2,0,0,0,0,0|1,0,1]=4 1641 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [2,0,0,0,0,0|1,0,1]=4 1642 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [2,0,0,0,0,0|1,0,1]=4 1643 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [2,0,0,0,0,0|1,0,1]=4 1644 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [2,0,0,0,0,0|1,0,1]=4 1645 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [2,0,0,0,0,0|1,0,1]=4 1646 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [2,0,0,0,0,0|1,0,1]=4 1647 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [2,0,0,0,0,0|1,0,0]=3 1648 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [2,0,0,0,0,0|1,0,0]=3 1649 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [2,0,0,0,0,0|1,0,0]=3 1650 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [2,0,0,0,0,0|1,0,0]=3 1651 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [2,0,0,0,0,0|2,0,0]=4 1652 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [2,0,0,0,0,0|2,0,0]=4 1653 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [2,0,0,0,0,0|2,0,0]=4 1654 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [2,0,0,0,0,0|2,0,0]=4 1655 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [2,0,0,0,0,0|2,0,0]=4 1656 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [2,0,0,0,0,0|2,0,0]=4 1657 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [2,0,0,0,0,0|2,0,0]=4 1658 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [2,0,0,0,0,0|2,0,0]=4 1659 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [2,0,0,0,0,0|2,0,0]=4 1660 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [2,0,0,0,0,0|2,0,0]=4 1661 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [2,0,0,0,0,0|2,0,0]=4 1662 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [2,0,0,0,0,0|2,0,0]=4 1663 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [2,0,0,0,0,0|2,0,0]=4 1664 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [2,0,0,0,0,0|2,0,0]=4 1665 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [2,0,0,0,0,0|2,0,0]=4 1666 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [2,0,0,0,0,0|2,0,0]=4 1667 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [2,0,0,0,0,0|2,0,0]=4 1668 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [2,0,0,0,0,0|2,0,0]=4 1669 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [2,0,0,0,0,0|2,0,0]=4 1670 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [2,0,0,0,0,0|2,0,0]=4 1671 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [2,0,0,0,0,0|2,0,0]=4 1672 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [2,0,0,0,0,0|2,0,0]=4 1673 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [2,0,0,0,0,0|2,0,0]=4 1674 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [2,0,0,0,0,0|2,0,0]=4 1675 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [2,0,0,0,0,0|2,0,0]=4 1676 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [2,0,0,0,0,0|2,0,0]=4 1677 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [2,0,0,0,0,0|1,0,0]=3 1678 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [2,0,0,0,0,0|1,0,0]=3 1679 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [2,0,0,0,0,0|1,0,0]=3 1680 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [2,0,0,0,0,0|1,0,0]=3 1681 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [2,0,0,0,0,0|2,0,0]=4 1682 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [2,0,0,0,0,0|2,0,0]=4 1683 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [2,0,0,0,0,0|1,0,1]=4 1684 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [2,0,0,0,0,0|1,0,1]=4 1685 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [2,0,0,0,0,0|1,0,1]=4 1686 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [2,0,0,0,0,0|1,0,1]=4 1687 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [2,0,0,0,0,0|2,0,0]=4 1688 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [2,0,0,0,0,0|2,0,0]=4 1689 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [2,0,0,0,0,0|2,0,0]=4 1690 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [2,0,0,0,0,0|2,0,0]=4 1691 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [2,0,0,0,0,0|2,0,0]=4 1692 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [2,0,0,0,0,0|2,0,0]=4 1693 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [2,0,0,0,0,0|2,0,0]=4 1694 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [2,0,0,0,0,0|2,0,0]=4 1695 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [2,0,0,0,0,0|2,0,0]=4 1696 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [2,0,0,0,0,0|2,0,0]=4 1697 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [2,0,0,0,0,0|2,0,0]=4 1698 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [2,0,0,0,0,0|2,0,0]=4 1699 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [2,0,0,0,0,0|2,0,0]=4 1700 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [2,0,0,0,0,0|2,0,0]=4 1701 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [2,0,0,0,0,0|2,0,0]=4 1702 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [2,0,0,0,0,0|2,0,0]=4 1703 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [2,0,0,0,0,0|2,0,0]=4 1704 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [2,0,0,0,0,0|2,0,0]=4 1705 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [2,0,0,0,0,0|2,0,0]=4 1706 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [2,0,0,0,0,0|2,0,0]=4 1707 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [2,0,0,0,0,0|2,0,0]=4 1708 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [2,0,0,0,0,0|2,0,0]=4 1709 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [2,0,0,0,0,0|2,0,0]=4 1710 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [2,0,0,0,0,0|2,0,0]=4 1711 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [2,0,0,0,0,0|2,0,0]=4 1712 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [2,0,0,0,0,0|2,0,0]=4 1713 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [2,0,0,0,0,0|2,0,0]=4 1714 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [2,0,0,0,0,0|2,0,0]=4 1715 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [2,0,0,0,0,0|2,0,0]=4 1716 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [2,0,0,0,0,0|2,0,0]=4 1717 B12R0.1 CC/C=C/CCCOC(C)CCC 34a_100016287902_100000766640 [1,1,0,0,0,0|2,0,0]=4 1718 B12R0.1 CC/C=C/CCCOC(C)CCC 7a_100016287902_100000766640 [1,1,0,0,0,0|2,0,0]=4 1719 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [1,1,0,0,0,0|0,0,2]=4 1720 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100000688023_100015370543 [1,1,0,0,0,0|0,0,1]=3 1721 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100016288707_100011216630 [1,1,0,0,0,0|0,0,1]=3 1722 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100000688023_100015370543 [1,1,0,0,0,0|0,0,1]=3 1723 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100016288707_100011216630 [1,1,0,0,0,0|0,0,1]=3 1724 B12R0.1 CC/C=C\CCOCC(C)CCN 34a_106354213184_100015370543 [1,1,0,0,0,0|1,0,1]=4 1725 B12R0.1 CC/C=C\CCOCC(N)COC 34a_100000724102_100015370543 [1,1,0,0,0,0|1,0,1]=4 1726 B12R0.1 CC/C=C\CCOCC(O)COC 34a_100016288707_100011215053 [1,1,0,0,0,0|1,0,1]=4 1727 B12R0.1 CC/C=C\CCOCC(O)COC 7a_100016288707_100011215053 [1,1,0,0,0,0|1,0,1]=4 1728 B12R0.1 CC/C=C\CCOC[C@@H](N)CCC 34a_100000732646_100015370543 [1,1,0,0,0,0|0,0,1]=3 1729 B12R0.1 CC/C=C\CCSCC(C)CCC 62a_100011216630_100015370543 [1,1,0,0,0,0|0,1,1]=4 1730 B12R0.1 CC/C=C\CCSCC(C)CCC 62a_100015370543_100011216630 [1,1,0,0,0,0|0,1,1]=4 1731 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [1,1,0,0,0,0|1,0,1]=4 1732 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,1,0,0,0,0|1,0,1]=4 1733 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,1,0,0,0,0|1,0,1]=4 1734 B12R0.5 C#CCCCCOCC/C=C\CC 34a_100000766709_100015370543 [1,1,0,0,0,0|0,0,2]=4 1735 B12R0.5 C#CCCCCOCC/C=C\CC 34a_100016288707_100010269958 [1,1,0,0,0,0|0,0,2]=4 1736 B12R0.5 C#CCCCCOCC/C=C\CC 7a_100000766709_100015370543 [1,1,0,0,0,0|0,0,2]=4 1737 B12R0.5 C#CCCCCOCC/C=C\CC 7a_100016288707_100010269958 [1,1,0,0,0,0|0,0,2]=4 1738 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [1,1,0,0,0,0|0,0,2]=4 1739 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [1,1,0,0,0,0|0,0,2]=4 1740 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [1,1,0,0,0,0|0,0,2]=4 1741 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [1,1,0,0,0,0|0,0,2]=4 1742 B12R0.5 CC/C=C/CC/C=C/COCCC 34a_100016264143_100000210303 [1,1,0,0,0,0|1,0,0]=3 1743 B12R0.5 CC/C=C/CC/C=C/COCCC 7a_100016264143_100000210303 [1,1,0,0,0,0|1,0,0]=3 1744 B12R0.5 CC/C=C/CC/C=C/COCCF 34a_100016264143_100011217306 [1,1,0,0,0,0|2,0,0]=4 1745 B12R0.5 CC/C=C/CC/C=C/COCCF 7a_100016264143_100011217306 [1,1,0,0,0,0|2,0,0]=4 1746 B12R0.5 CC/C=C/CC/C=C/COCCO 34a_100016264143_100000211926 [1,1,0,0,0,0|2,0,0]=4 1747 B12R0.5 CC/C=C/CC/C=C/COCCO 7a_100016264143_100000211926 [1,1,0,0,0,0|2,0,0]=4 1748 B12R0.5 CC/C=C/CC/C=C/COCSC 34a_100016264143_100011218213 [1,1,0,0,0,0|2,0,0]=4 1749 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [1,1,0,0,0,0|0,0,1]=3 1750 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [1,1,0,0,0,0|0,0,1]=3 1751 B12R0.5 CC/C=C/CCCOCCCCF 34a_100016287902_100000729493 [1,1,0,0,0,0|1,0,1]=4 1752 B12R0.5 CC/C=C/CCCOCCCCF 7a_100016287902_100000729493 [1,1,0,0,0,0|1,0,1]=4 1753 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [1,1,0,0,0,0|1,0,1]=4 1754 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [1,1,0,0,0,0|1,0,1]=4 1755 B12R0.5 CC/C=C/CCCOCCCOC 34a_100016287902_100000740836 [1,1,0,0,0,0|1,0,1]=4 1756 B12R0.5 CC/C=C/CCCOCCCOC 7a_100016287902_100000740836 [1,1,0,0,0,0|1,0,1]=4 1757 B12R0.5 CC/C=C/CCCOCCOCC 34a_100016287902_100000210147 [1,1,0,0,0,0|1,0,1]=4 1758 B12R0.5 CC/C=C/CCCOCCOCC 7a_100016287902_100011215890 [1,1,0,0,0,0|1,0,1]=4 1759 B12R0.5 CC/C=C/CCCOCCSCC 34a_100016287902_100000757381 [1,1,0,0,0,0|1,0,1]=4 1760 B12R0.5 CC/C=C/CCCOCCSCC 7a_100016287902_100000757381 [1,1,0,0,0,0|1,0,1]=4 1761 B12R0.5 CC/C=C\CCC=NNCCCC 4a_100025702795_100016279218 [1,1,0,0,0,0|2,0,0]=4 1762 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [1,1,0,0,0,0|1,0,1]=4 1763 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [1,1,0,0,0,0|1,0,1]=4 1764 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [1,1,0,0,0,0|1,0,1]=4 1765 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [1,1,0,0,0,0|1,0,1]=4 1766 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [1,1,0,0,0,0|1,0,1]=4 1767 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [1,1,0,0,0,0|1,0,1]=4 1768 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [1,1,0,0,0,0|1,0,1]=4 1769 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [1,1,0,0,0,0|1,0,1]=4 1770 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [1,1,0,0,0,0|1,0,1]=4 1771 B12R0.5 CC/C=C\CCNCCCOCC 2230a_100000210961_100015370543 [1,1,0,0,0,0|1,0,1]=4 1772 B12R0.5 CC/C=C\CCNCCCOCC 34a_100000210961_100015370543 [1,1,0,0,0,0|1,0,1]=4 1773 B12R0.5 CC/C=C\CCNCCOCCC 2230a_100161115042_100015370543 [1,1,0,0,0,0|1,0,1]=4 1774 B12R0.5 CC/C=C\CCNCCOCCC 34a_100161115042_100015370543 [1,1,0,0,0,0|1,0,1]=4 1775 B12R0.5 CC/C=C\CCNCCSCCC 2230a_100020603323_100015370543 [1,1,0,0,0,0|1,0,1]=4 1776 B12R0.5 CC/C=C\CCOC/C=C/CCC 34a_100016278788_100015370543 [1,1,0,0,0,0|0,0,1]=3 1777 B12R0.5 CC/C=C\CCOC/C=C/CCC 7a_100016278788_100015370543 [1,1,0,0,0,0|0,0,1]=3 1778 B12R0.5 CC/C=C\CCOCC#CCCC 34a_100000034806_100015370543 [1,1,0,0,0,0|0,0,2]=4 1779 B12R0.5 CC/C=C\CCOCC#CCCC 7a_100000034806_100015370543 [1,1,0,0,0,0|0,0,2]=4 1780 B12R0.5 CC/C=C\CCOCC/C=C\CC 34a_100016288707_100015370543 [1,1,0,0,0,0|0,0,2]=4 1781 B12R0.5 CC/C=C\CCOCC/C=C\CC 7a_100016288707_100015370543 [1,1,0,0,0,0|0,0,2]=4 1782 B12R0.5 CC/C=C\CCOCCCCC#N 7a_100016288707_100000211819 [1,1,0,0,0,0|0,0,2]=4 1783 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [1,1,0,0,0,0|0,0,2]=4 1784 B12R0.5 CC/C=C\CCOCCCCCBr 34a_100000746331_100015370543 [1,1,0,0,0,0|0,0,1]=3 1785 B12R0.5 CC/C=C\CCOCCCCCBr 7a_100000746331_100015370543 [1,1,0,0,0,0|0,0,1]=3 1786 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [1,1,0,0,0,0|0,0,1]=3 1787 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [1,1,0,0,0,0|0,0,1]=3 1788 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [1,1,0,0,0,0|0,0,1]=3 1789 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [1,1,0,0,0,0|0,0,1]=3 1790 B12R0.5 CC/C=C\CCOCCCCCCl 34a_100000746330_100015370543 [1,1,0,0,0,0|0,0,1]=3 1791 B12R0.5 CC/C=C\CCOCCCCCCl 7a_100000746330_100015370543 [1,1,0,0,0,0|0,0,1]=3 1792 B12R0.5 CC/C=C\CCOCCCCCF 34a_100016288707_100000729378 [1,1,0,0,0,0|0,0,1]=3 1793 B12R0.5 CC/C=C\CCOCCCCCF 7a_100016288707_100000729378 [1,1,0,0,0,0|0,0,1]=3 1794 B12R0.5 CC/C=C\CCOCCCCCI 34a_200012148887_100015370543 [1,1,0,0,0,0|0,0,1]=3 1795 B12R0.5 CC/C=C\CCOCCCCCI 7a_200012148887_100015370543 [1,1,0,0,0,0|0,0,1]=3 1796 B12R0.5 CC/C=C\CCOCCCCCN 34a_100000762737_100015370543 [1,1,0,0,0,0|0,0,1]=3 1797 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [1,1,0,0,0,0|0,0,1]=3 1798 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [1,1,0,0,0,0|0,0,1]=3 1799 B12R0.5 CC/C=C\CCOCCCCOC 34a_100000740925_100015370543 [1,1,0,0,0,0|0,0,1]=3 1800 B12R0.5 CC/C=C\CCOCCCCOC 34a_100016288707_100000755781 [1,1,0,0,0,0|0,0,1]=3 1801 B12R0.5 CC/C=C\CCOCCCCOC 7a_100016288707_100000730899 [1,1,0,0,0,0|0,0,1]=3 1802 B12R0.5 CC/C=C\CCOCCCCSC 34a_100011217163_100015370543 [1,1,0,0,0,0|0,0,1]=3 1803 B12R0.5 CC/C=C\CCOCCCCSC 7a_100011217163_100015370543 [1,1,0,0,0,0|0,0,1]=3 1804 B12R0.5 CC/C=C\CCOCCCOCC 34a_100000757476_100015370543 [1,1,0,0,0,0|0,0,1]=3 1805 B12R0.5 CC/C=C\CCOCCCOCC 34a_100016288707_100012232248 [1,1,0,0,0,0|0,0,1]=3 1806 B12R0.5 CC/C=C\CCOCCCOCC 7a_100000757476_100015370543 [1,1,0,0,0,0|0,0,1]=3 1807 B12R0.5 CC/C=C\CCOCCCOCC 7a_100016288707_100012232248 [1,1,0,0,0,0|0,0,1]=3 1808 B12R0.5 CC/C=C\CCOCCCSCC 34a_100011216438_100015370543 [1,1,0,0,0,0|0,0,1]=3 1809 B12R0.5 CC/C=C\CCOCCCSCC 7a_100011216438_100015370543 [1,1,0,0,0,0|0,0,1]=3 1810 B12R0.5 CC/C=C\CCOCCOCCBr 34a_100000692535_100015370543 [1,1,0,0,0,0|1,0,1]=4 1811 B12R0.5 CC/C=C\CCOCCOCCBr 7a_100000692535_100015370543 [1,1,0,0,0,0|1,0,1]=4 1812 B12R0.5 CC/C=C\CCOCCOCCC 34a_100000752267_100015370543 [1,1,0,0,0,0|0,0,1]=3 1813 B12R0.5 CC/C=C\CCOCCOCCC 34a_100016288707_100011215938 [1,1,0,0,0,0|0,0,1]=3 1814 B12R0.5 CC/C=C\CCOCCOCCC 7a_100000752267_100015370543 [1,1,0,0,0,0|0,0,1]=3 1815 B12R0.5 CC/C=C\CCOCCOCCC 7a_100016288707_100011215938 [1,1,0,0,0,0|0,0,1]=3 1816 B12R0.5 CC/C=C\CCOCCOCCCl 34a_100011215305_100015370543 [1,1,0,0,0,0|1,0,1]=4 1817 B12R0.5 CC/C=C\CCOCCOCCCl 7a_100011215305_100015370543 [1,1,0,0,0,0|1,0,1]=4 1818 B12R0.5 CC/C=C\CCOCCOCCF 34a_200015357709_100015370543 [1,1,0,0,0,0|1,0,1]=4 1819 B12R0.5 CC/C=C\CCOCCOCCF 7a_200015357709_100015370543 [1,1,0,0,0,0|1,0,1]=4 1820 B12R0.5 CC/C=C\CCOCCOCCI 34a_100012149058_100015370543 [1,1,0,0,0,0|1,0,1]=4 1821 B12R0.5 CC/C=C\CCOCCOCCI 7a_100012149058_100015370543 [1,1,0,0,0,0|1,0,1]=4 1822 B12R0.5 CC/C=C\CCOCCOCCN 34a_100000211614_100015370543 [1,1,0,0,0,0|1,0,1]=4 1823 B12R0.5 CC/C=C\CCOCCOCCO 34a_100016288707_100000692535 [1,1,0,0,0,0|1,0,1]=4 1824 B12R0.5 CC/C=C\CCOCCOCCO 7a_100016288707_100011215305 [1,1,0,0,0,0|1,0,1]=4 1825 B12R0.5 CC/C=C\CCOCCSCCC 34a_200000230433_100015370543 [1,1,0,0,0,0|0,0,1]=3 1826 B12R0.5 CC/C=C\CCOCCSCCC 7a_200000230433_100015370543 [1,1,0,0,0,0|0,0,1]=3 1827 B12R0.5 CC/C=C\CCOCOCCCC 34a_100016288707_100011995733 [1,1,0,0,0,0|0,0,1]=3 1828 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [1,1,0,0,0,0|0,1,1]=4 1829 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [1,1,0,0,0,0|0,1,1]=4 1830 B12R0.5 CC/C=C\CCSCCCCCF 62a_100000729378_100015370543 [1,1,0,0,0,0|0,1,1]=4 1831 B12R0.5 CC/C=C\CCSCCCCCF 62a_100015370543_100000729378 [1,1,0,0,0,0|0,1,1]=4 1832 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [1,1,0,0,0,0|0,1,1]=4 1833 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [1,1,0,0,0,0|0,1,1]=4 1834 B12R0.5 CC/C=C\CCSCCCCOC 62a_100000730899_100015370543 [1,1,0,0,0,0|0,1,1]=4 1835 B12R0.5 CC/C=C\CCSCCCCOC 62a_100015370543_100000730899 [1,1,0,0,0,0|0,1,1]=4 1836 B12R0.5 CC/C=C\CCSCCCOCC 62a_100012232248_100015370543 [1,1,0,0,0,0|0,1,1]=4 1837 B12R0.5 CC/C=C\CCSCCCOCC 62a_100015370543_100012232248 [1,1,0,0,0,0|0,1,1]=4 1838 B12R0.5 CC/C=C\CCSCCOCCC 62a_100011215938_100015370543 [1,1,0,0,0,0|0,1,1]=4 1839 B12R0.5 CC/C=C\CCSCCOCCC 62a_100015370543_100011215938 [1,1,0,0,0,0|0,1,1]=4 1840 B12R0.5 CC/C=C\CCSCOCCCC 62a_100011995733_100015370543 [1,1,0,0,0,0|0,1,1]=4 1841 B12R0.5 CC/C=C\CCSCOCCCC 62a_100015370543_100011995733 [1,1,0,0,0,0|0,1,1]=4 1842 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [1,1,0,0,0,0|1,0,1]=4 1843 B12R0.5 CC/C=C\CNCCSCCCC 2230a_100025743550_100103147603 [1,1,0,0,0,0|2,0,0]=4 1844 B12R0.5 CC/C=C\COC/C=C/CCCC 34a_200016272032_100103147603 [1,1,0,0,0,0|1,0,0]=3 1845 B12R0.5 CC/C=C\COC/C=C/CCCC 7a_200016272032_100103147603 [1,1,0,0,0,0|1,0,0]=3 1846 B12R0.5 CC/C=C\COCC#CCCCC 34a_200000034558_100103147603 [1,1,0,0,0,0|1,0,1]=4 1847 B12R0.5 CC/C=C\COCC#CCCCC 7a_200000034558_100103147603 [1,1,0,0,0,0|1,0,1]=4 1848 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [1,1,0,0,0,0|1,0,1]=4 1849 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [1,1,0,0,0,0|1,0,1]=4 1850 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [1,1,0,0,0,0|1,0,1]=4 1851 B12R0.5 CC/C=C\COCCOCCCC 34a_100000210238_100103147603 [1,1,0,0,0,0|2,0,0]=4 1852 B12R0.5 CC/C=C\COCCOCCCC 34a_100016268518_100000743108 [1,1,0,0,0,0|2,0,0]=4 1853 B12R0.5 CC/C=C\COCCOCCCC 7a_100000210238_100103147603 [1,1,0,0,0,0|2,0,0]=4 1854 B12R0.5 CC/C=C\COCCSCCCC 34a_200000230436_100103147603 [1,1,0,0,0,0|2,0,0]=4 1855 B12R0.5 CC/C=C\COCCSCCCC 7a_200000230436_100103147603 [1,1,0,0,0,0|2,0,0]=4 1856 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [1,1,0,0,0,0|1,0,1]=4 1857 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [1,1,0,0,0,0|1,0,1]=4 1858 B12R0.5 CC/C=C\CSCCOCCCC 62a_100000743108_100103147603 [1,1,0,0,0,0|2,0,0]=4 1859 B12R0.5 CC/C=C\CSCCOCCCC 62a_100103147603_100000743108 [1,1,0,0,0,0|2,0,0]=4 1860 B12R0.5 CC=CCCCOCC/C=C\CC 34a_100020645299_100015370543 [1,1,0,0,0,0|0,0,2]=4 1861 B12R0.5 CCC#CCCOCC/C=C\CC 34a_100000036655_100015370543 [1,1,0,0,0,0|0,0,2]=4 1862 B12R0.5 CCC#CCCOCC/C=C\CC 7a_100000036655_100015370543 [1,1,0,0,0,0|0,0,2]=4 1863 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [1,1,0,0,0,0|1,0,1]=4 1864 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [1,1,0,0,0,0|1,0,1]=4 1865 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [1,1,0,0,0,0|1,0,1]=4 1866 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [1,1,0,0,0,0|1,0,1]=4 1867 B12R0.47 CC/C=C\CC(=O)C=CCCCC 1458a_100016266645_100103147603 [1,1,0,0,0,0|1,0,1]=4 1868 B12R0.47 CC/C=C\CCC(=O)C=CCCC 1458a_100000212230_100015370543 [1,1,0,0,0,0|1,0,1]=4 1869 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [1,1,0,0,0,0|1,0,1]=4 1870 B12R0.47 CC/C=C\CCN(C)CCCCC 2230a_100000223495_100015370543 [1,1,0,0,0,0|1,0,1]=4 1871 B12R0.47 CC/C=C\CCN(C)CCCCC 269982a_100000223495_100015370543 [1,1,0,0,0,0|1,0,1]=4 1872 B12R0.234 CC/C=C/CC/C=C/COC(C)C 34a_100016264143_100000210206 [1,1,0,0,0,0|2,0,0]=4 1873 B12R0.234 CC/C=C/CC/C=C/COC(C)C 7a_100016264143_100000210206 [1,1,0,0,0,0|2,0,0]=4 1874 B12R0.234 CC/C=C/CCCOCCC(C)C 34a_100016287902_100000210312 [1,1,0,0,0,0|2,0,0]=4 1875 B12R0.234 CC/C=C/CCCOCCC(C)C 7a_100016287902_100000210626 [1,1,0,0,0,0|2,0,0]=4 1876 B12R0.234 CC/C=C/CCCOCCC(C)O 34a_100016287902_100012276601 [1,1,0,0,0,0|2,0,0]=4 1877 B12R0.234 CC/C=C/CCCOCCC(C)O 7a_100016287902_100012276601 [1,1,0,0,0,0|2,0,0]=4 1878 B12R0.234 CC/C=C\CCNCCCC(C)C 2230a_200000737386_100015370543 [1,1,0,0,0,0|1,0,1]=4 1879 B12R0.234 CC/C=C\CCNCCCC(C)C 34a_200000737386_100015370543 [1,1,0,0,0,0|1,0,1]=4 1880 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [1,1,0,0,0,0|0,0,2]=4 1881 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [1,1,0,0,0,0|0,0,2]=4 1882 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [1,1,0,0,0,0|0,0,2]=4 1883 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [1,1,0,0,0,0|0,0,2]=4 1884 B12R0.234 CC/C=C\CCOCCCC(C)C 34a_100000210774_100015370543 [1,1,0,0,0,0|0,0,1]=3 1885 B12R0.234 CC/C=C\CCOCCCC(C)C 34a_100016288707_100011214892 [1,1,0,0,0,0|0,0,1]=3 1886 B12R0.234 CC/C=C\CCOCCCC(C)C 7a_100000210774_100015370543 [1,1,0,0,0,0|0,0,1]=3 1887 B12R0.234 CC/C=C\CCOCCCC(C)C 7a_100016288707_100011214892 [1,1,0,0,0,0|0,0,1]=3 1888 B12R0.234 CC/C=C\CCOCCCC(C)O 34a_100016288707_200000718107 [1,1,0,0,0,0|0,0,1]=3 1889 B12R0.234 CC/C=C\CCOCCCC(C)O 7a_100016288707_200000718107 [1,1,0,0,0,0|0,0,1]=3 1890 B12R0.234 CC/C=C\CCOCCCN(C)C 7a_100016288707_100000757444 [1,1,0,0,0,0|1,0,1]=4 1891 B12R0.234 CC/C=C\CCOCCNC(C)C 34a_100000224655_100015370543 [1,1,0,0,0,0|1,0,1]=4 1892 B12R0.234 CC/C=C\CCOCCOC(C)C 34a_100000211219_100015370543 [1,1,0,0,0,0|1,0,1]=4 1893 B12R0.234 CC/C=C\CCOCCOC(C)C 34a_100016288707_100000211751 [1,1,0,0,0,0|1,0,1]=4 1894 B12R0.234 CC/C=C\CCOCCOC(C)C 7a_100000211219_100015370543 [1,1,0,0,0,0|1,0,1]=4 1895 B12R0.234 CC/C=C\CCOCCOC(C)C 7a_100016288707_100000211751 [1,1,0,0,0,0|1,0,1]=4 1896 B12R0.234 CC/C=C\CCOCCSC(C)C 34a_100016288707_100000730970 [1,1,0,0,0,0|1,0,1]=4 1897 B12R0.234 CC/C=C\CCOCCSC(C)C 34a_200011212901_100015370543 [1,1,0,0,0,0|1,0,1]=4 1898 B12R0.234 CC/C=C\CCOCCSC(C)C 7a_100016288707_100000730970 [1,1,0,0,0,0|1,0,1]=4 1899 B12R0.234 CC/C=C\CCOCCSC(C)C 7a_200011212901_100015370543 [1,1,0,0,0,0|1,0,1]=4 1900 B12R0.234 CC/C=C\CCSCCCC(C)C 62a_100011214892_100015370543 [1,1,0,0,0,0|0,1,1]=4 1901 B12R0.234 CC/C=C\CCSCCCC(C)C 62a_100015370543_100011214892 [1,1,0,0,0,0|0,1,1]=4 1902 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_100015370543_200000718107 [1,1,0,0,0,0|0,1,1]=4 1903 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_200000718107_100015370543 [1,1,0,0,0,0|0,1,1]=4 1904 B12R0.248 CC/C=C/CCCOCC(C)CC 34a_100016287902_100000748023 [1,1,0,0,0,0|2,0,0]=4 1905 B12R0.248 CC/C=C/CCCOCC(C)CC 7a_100016287902_100000748023 [1,1,0,0,0,0|2,0,0]=4 1906 B12R0.248 CC/C=C/CCCOCC(O)CC 34a_100016287902_100011218378 [1,1,0,0,0,0|2,0,0]=4 1907 B12R0.248 CC/C=C/CCCOCC(O)CC 7a_100016287902_100011218378 [1,1,0,0,0,0|2,0,0]=4 1908 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 34a_100016287902_100009816398 [1,1,0,0,0,0|2,0,0]=4 1909 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 7a_100016287902_100009816398 [1,1,0,0,0,0|2,0,0]=4 1910 B12R0.248 CC/C=C\CCNCCC(C)CC 2230a_100020591266_100015370543 [1,1,0,0,0,0|1,0,1]=4 1911 B12R0.248 CC/C=C\CCOCCC(C)CC 7a_100011215188_100015370543 [1,1,0,0,0,0|0,0,1]=3 1912 B12R0.248 CC/C=C\CCOCCC(C)OC 7a_100000764861_100015370543 [1,1,0,0,0,0|1,0,1]=4 1913 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [1,1,0,0,0,0|1,0,1]=4 1914 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [1,1,0,0,0,0|1,0,1]=4 1915 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [1,1,0,0,0,0|1,0,1]=4 1916 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100000211805_100015370543 [1,1,0,0,0,0|1,0,1]=4 1917 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100016288707_100000731052 [1,1,0,0,0,0|1,0,1]=4 1918 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100000211805_100015370543 [1,1,0,0,0,0|1,0,1]=4 1919 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100016288707_100000731052 [1,1,0,0,0,0|1,0,1]=4 1920 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 34a_200020655201_200000210301 [1,1,0,0,0,0|1,0,0]=3 1921 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 7a_200020655201_200000210301 [1,1,0,0,0,0|1,0,0]=3 1922 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 34a_200020655201_200025704644 [1,1,0,0,0,0|1,0,0]=3 1923 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 7a_200020655201_200025704644 [1,1,0,0,0,0|1,0,0]=3 1924 B12R0.49 CC/C=C\CCOC(C)C(C)CC 7a_100011215189_100015370543 [1,1,0,0,0,0|1,0,1]=4 1925 B12R0.101 CCC=CC(=O)COC(=O)CCC 1458a_100000212282_100000034017 [1,1,0,0,0,0|0,0,1]=3 1926 B12R0.101 CCCC(=O)OCC(=O)C=COC 1458a_100016268678_100000034017 [1,1,0,0,0,0|1,0,1]=4 1927 B12R0.114 CC/C=C\CCC(=O)C(=O)NCC 1458a_200011297158_100015370543 [1,1,0,0,0,0|2,0,0]=4 1928 B12R0.121 C#CC(CCC)OCC/C=C\CC 34a_200011217317_100015370543 [1,1,0,0,0,0|1,0,1]=4 1929 B12R0.121 C#CC(CCC)OCC/C=C\CC 7a_200011217317_100015370543 [1,1,0,0,0,0|1,0,1]=4 1930 B12R0.121 C=CC(CCC)OCC/C=C\CC 34a_100011216692_100015370543 [1,1,0,0,0,0|1,0,1]=4 1931 B12R0.121 C=CC(CCC)OCC/C=C\CC 7a_100011216692_100015370543 [1,1,0,0,0,0|1,0,1]=4 1932 B12R0.121 CC/C=C\CCOC(C#N)CCC 34a_100000686963_100015370543 [1,1,0,0,0,0|1,0,1]=4 1933 B12R0.121 CC/C=C\CCOC(C#N)CCC 7a_100000686963_100015370543 [1,1,0,0,0,0|1,0,1]=4 1934 B12R0.121 CC/C=C\CCOC(CC)CCC 34a_100000687864_100015370543 [1,1,0,0,0,0|1,0,1]=4 1935 B12R0.121 CC/C=C\CCOC(CC)CCC 7a_100000687864_100015370543 [1,1,0,0,0,0|1,0,1]=4 1936 B12R0.121 CC/C=C\CCOC(CC)CCC 7a_100016288707_100011219200 [1,1,0,0,0,0|1,0,1]=4 1937 B12R0.239 CC/C=C/CC(=O)CC(=O)CCC 1458a_100016274230_100000747444 [1,1,0,0,0,0|1,0,1]=4 1938 B12R0.276 CCCC(=O)NCCNC(=O)CC 11a_100132302217_100000211992 [1,1,0,0,0,0|2,0,0]=4 1939 B12R0.276 CCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211992 [1,1,0,0,0,0|2,0,0]=4 1940 B12R0.276 CCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211992 [1,1,0,0,0,0|2,0,0]=4 1941 B12R0.276 CCCC(=O)NCCNC(=O)CC 527a_100132302217_100000211992 [1,1,0,0,0,0|2,0,0]=4 1942 B12R0.276 CCCC(=O)OCOCC(=O)CC 34a_100000725409_100000034017 [1,1,0,0,0,0|1,0,1]=4 1943 B12R0.276 CCCC(=O)OCSCC(=O)CC 62a_100000747405_100000034017 [1,1,0,0,0,0|1,0,1]=4 1944 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [1,1,0,0,0,0|2,0,0]=4 1945 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [1,1,0,0,0,0|2,0,0]=4 1946 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [1,1,0,0,0,0|2,0,0]=4 1947 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [1,1,0,0,0,0|2,0,0]=4 1948 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [1,1,0,0,0,0|2,0,0]=4 1949 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [1,1,0,0,0,0|2,0,0]=4 1950 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [1,1,0,0,0,0|2,0,0]=4 1951 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [1,1,0,0,0,0|2,0,0]=4 1952 B12R0.434 CC/C=C\CCOC(C)(C)CCC 7a_100000748436_100015370543 [1,1,0,0,0,0|1,0,1]=4 1953 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [1,1,0,0,0,0|1,0,1]=4 1954 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [1,1,0,0,0,0|0,0,2]=4 1955 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [1,1,0,0,0,0|0,0,2]=4 1956 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [1,1,0,0,0,0|2,0,0]=4 1957 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [1,1,0,0,0,0|2,0,0]=4 1958 B12R0.95 CCCCC(=O)CCCOC(=S)C 1458a_100000210183_200135323944 [1,1,0,0,0,0|2,0,0]=4 1959 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [1,1,0,0,0,0|2,0,0]=4 1960 B12R0.95 CCCCC(=O)NCCCC(C)C 11a_200000737386_100000210183 [1,1,0,0,0,0|1,0,1]=4 1961 B12R0.95 CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210183 [1,1,0,0,0,0|1,0,1]=4 1962 B12R0.95 CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210183 [1,1,0,0,0,0|1,0,1]=4 1963 B12R0.95 CCCCC(=O)NCCCC(C)C 527a_200000737386_100000210183 [1,1,0,0,0,0|1,0,1]=4 1964 B12R0.95 CCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210183 [1,1,0,0,0,0|2,0,0]=4 1965 B12R0.95 CCCCC(=O)NCCNC(=O)C 527a_100000209853_100000210183 [1,1,0,0,0,0|2,0,0]=4 1966 B12R0.95 CCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210183 [1,1,0,0,0,0|2,0,0]=4 1967 B12R0.95 CCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210183 [1,1,0,0,0,0|2,0,0]=4 1968 B12R0.95 CCCCC(=O)NCCOC(=O)C 527a_100000724843_100000210183 [1,1,0,0,0,0|2,0,0]=4 1969 B12R0.95 CCCCC(=O)NCCOC(C)C 11a_100000701111_100000210183 [1,1,0,0,0,0|2,0,0]=4 1970 B12R0.95 CCCCC(=O)NCCOC(C)C 1626a_100000701111_100000210183 [1,1,0,0,0,0|2,0,0]=4 1971 B12R0.95 CCCCC(=O)NCCOC(C)C 240690a_100000701111_100000210183 [1,1,0,0,0,0|2,0,0]=4 1972 B12R0.95 CCCCC(=O)NCCOC(C)C 527a_100000701111_100000210183 [1,1,0,0,0,0|2,0,0]=4 1973 B12R0.95 CCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210183 [1,1,0,0,0,0|2,0,0]=4 1974 B12R0.95 CCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210183 [1,1,0,0,0,0|2,0,0]=4 1975 B12R0.95 CCCCC(=O)NCCSC(=O)C 527a_100020647217_100000210183 [1,1,0,0,0,0|2,0,0]=4 1976 B12R0.95 CCCCC(=O)NCCSC(C)C 11a_100000731138_100000210183 [1,1,0,0,0,0|2,0,0]=4 1977 B12R0.95 CCCCC(=O)NCCSC(C)C 1626a_100000731138_100000210183 [1,1,0,0,0,0|2,0,0]=4 1978 B12R0.95 CCCCC(=O)NCCSC(C)C 240690a_100000731138_100000210183 [1,1,0,0,0,0|2,0,0]=4 1979 B12R0.95 CCCCC(=O)NCCSC(C)C 527a_100000731138_100000210183 [1,1,0,0,0,0|2,0,0]=4 1980 B12R0.95 CCCCC(C)OCCC=C(C)C 34a_100000687866_100011217483 [1,1,0,0,0,0|1,0,1]=4 1981 B12R0.95 CCCCC(C)OCCC=C(C)C 7a_100000687866_100011217483 [1,1,0,0,0,0|1,0,1]=4 1982 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [1,1,0,0,0,0|1,0,1]=4 1983 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [1,1,0,0,0,0|1,0,1]=4 1984 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [1,1,0,0,0,0|1,0,1]=4 1985 B12R0.102 CCCCC(=O)CCCN(C)CC 1458a_100000210183_100015186262 [1,1,0,0,0,0|1,0,1]=4 1986 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [1,1,0,0,0,0|2,0,0]=4 1987 B12R0.102 CCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210183 [1,1,0,0,0,0|2,0,0]=4 1988 B12R0.102 CCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210183 [1,1,0,0,0,0|2,0,0]=4 1989 B12R0.102 CCCCC(=O)NCCC(=O)NC 527a_100000738227_100000210183 [1,1,0,0,0,0|2,0,0]=4 1990 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [1,1,0,0,0,0|2,0,0]=4 1991 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [1,1,0,0,0,0|1,0,1]=4 1992 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [1,1,0,0,0,0|1,0,1]=4 1993 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [1,1,0,0,0,0|1,0,1]=4 1994 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [1,1,0,0,0,0|1,0,1]=4 1995 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [1,1,0,0,0,0|1,0,1]=4 1996 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [1,1,0,0,0,0|1,0,1]=4 1997 B12R0.103 CCC=CC(=O)CC(=O)NCCC 1458a_100000212282_100000183358 [1,1,0,0,0,0|1,0,1]=4 1998 B12R0.103 CCC=CC(=O)CC(=O)OCCC 1458a_100000212282_200011215008 [1,1,0,0,0,0|1,0,1]=4 1999 B12R0.103 CCCCC(=O)NC(C)CCCC 11a_100000126638_100000210183 [1,1,0,0,0,0|1,0,1]=4 2000 B12R0.103 CCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210183 [1,1,0,0,0,0|1,0,1]=4 2001 B12R0.103 CCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210183 [1,1,0,0,0,0|1,0,1]=4 2002 B12R0.103 CCCCC(=O)NC(C)CCCC 527a_100000126638_100000210183 [1,1,0,0,0,0|1,0,1]=4 2003 B12R0.111 C#CC(CCCC)OC/C=C\CC 34a_200011217967_100103147603 [1,1,0,0,0,0|1,0,1]=4 2004 B12R0.111 C#CC(CCCC)OC/C=C\CC 7a_200011217967_100103147603 [1,1,0,0,0,0|1,0,1]=4 2005 B12R0.111 C/C=C/CCOC(CC)CCCC 34a_100016278192_200011216223 [1,1,0,0,0,0|1,0,1]=4 2006 B12R0.111 C=CC(CCCC)OC/C=C\CC 34a_200011215037_100103147603 [1,1,0,0,0,0|1,0,1]=4 2007 B12R0.111 C=CC(CCCC)OC/C=C\CC 7a_200011215037_100103147603 [1,1,0,0,0,0|1,0,1]=4 2008 B12R0.111 CC/C=C\CCN(CC)CCCC 2230a_100000207695_100015370543 [1,1,0,0,0,0|2,0,0]=4 2009 B12R0.111 CC/C=C\CCN(CC)CCCC 269982a_100000207695_100015370543 [1,1,0,0,0,0|2,0,0]=4 2010 B12R0.111 CC/C=C\COC(CC)CCCC 34a_100011215227_100103147603 [1,1,0,0,0,0|1,0,1]=4 2011 B12R0.111 CC/C=C\COC(CC)CCCC 34a_100016268518_200011216223 [1,1,0,0,0,0|1,0,1]=4 2012 B12R0.111 CC/C=C\COC(CC)CCCC 7a_100011215227_100103147603 [1,1,0,0,0,0|1,0,1]=4 2013 B12R0.113 C=CC(C)CC(=O)CC/C=C\CC 1458a_100011934298_100015370543 [1,1,0,0,0,0|0,0,2]=4 2014 B12R0.113 CC/C=C\CCC(=O)C=C(C)CC 1458a_100020758463_100015370543 [1,1,0,0,0,0|0,0,2]=4 2015 B12R0.113 CC/C=C\CCC(=O)CC(=O)OC 1458a_100000211351_100015370543 [1,1,0,0,0,0|1,0,1]=4 2016 B12R0.113 CC/C=C\CCC(=O)CC(C)CC 1458a_100000708755_100015370543 [1,1,0,0,0,0|0,0,0]=2 2017 B12R0.113 CC/C=C\CCC(=O)CC(O)CC 1458a_100011667805_100015370543 [1,1,0,0,0,0|0,0,0]=2 2018 B12R0.113 CC/C=C\CCC(=O)CN(C)CC 1458a_100116209913_100015370543 [1,1,0,0,0,0|1,0,0]=3 2019 B12R0.113 CC/C=C\CCN(C)CC(C)CC 2230a_100000753921_100015370543 [1,1,0,0,0,0|2,0,0]=4 2020 B12R0.113 CC/C=C\CCN(C)CC(C)CC 269982a_100000753921_100015370543 [1,1,0,0,0,0|2,0,0]=4 2021 B12R0.113 CCC/C=C/CC(=O)CC(C)CC 1458a_200016266809_100000748023 [1,1,0,0,0,0|0,0,2]=4 2022 B12R0.113 CCC/C=C/CC(=O)CC(O)CC 1458a_200016266809_100011218378 [1,1,0,0,0,0|0,0,2]=4 2023 B12R0.113 CCC/C=C/CC(=O)C[C@@H](C)CC 1458a_200016266809_100009816398 [1,1,0,0,0,0|0,0,2]=4 2024 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [1,1,0,0,0,0|0,0,2]=4 2025 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [1,1,0,0,0,0|0,0,2]=4 2026 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [1,1,0,0,0,0|0,0,2]=4 2027 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [1,1,0,0,0,0|0,0,2]=4 2028 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [1,1,0,0,0,0|0,0,2]=4 2029 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [1,1,0,0,0,0|1,0,1]=4 2030 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [1,1,0,0,0,0|1,0,1]=4 2031 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [1,1,0,0,0,0|1,0,1]=4 2032 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [1,1,0,0,0,0|1,0,1]=4 2033 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [1,1,0,0,0,0|1,0,1]=4 2034 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [1,1,0,0,0,0|1,0,1]=4 2035 B12R0.113 CCCOCCC(=O)CC(C)CC 1458a_100000708755_100011215938 [1,1,0,0,0,0|1,0,1]=4 2036 B12R0.113 CCCOCCC(=O)CC(O)CC 1458a_100011667805_100011215938 [1,1,0,0,0,0|1,0,1]=4 2037 B12R0.113 CCOCCCC(=O)CC(C)CC 1458a_100000708755_100012232248 [1,1,0,0,0,0|1,0,1]=4 2038 B12R0.113 CCOCCCC(=O)CC(O)CC 1458a_100011667805_100012232248 [1,1,0,0,0,0|1,0,1]=4 2039 B12R0.113 CCOCCNC(=O)CC(C)CC 11a_100011200944_100000708755 [1,1,0,0,0,0|2,0,0]=4 2040 B12R0.113 CCOCCNC(=O)CC(C)CC 1626a_102516460346_100000708755 [1,1,0,0,0,0|2,0,0]=4 2041 B12R0.113 CCOCCNC(=O)CC(C)CC 240690a_100011200944_100000708755 [1,1,0,0,0,0|2,0,0]=4 2042 B12R0.113 CCOCCNC(=O)CC(C)CC 527a_100011200944_100000708755 [1,1,0,0,0,0|2,0,0]=4 2043 B12R0.113 CCOCCNC(=O)CC(O)CC 1626a_102516460346_100011667805 [1,1,0,0,0,0|2,0,0]=4 2044 B12R0.113 CCOCCNC(=O)CC(O)CC 240690a_100011200944_100011667805 [1,1,0,0,0,0|2,0,0]=4 2045 B12R0.113 CCOCCOC(=O)CC(=O)CC 1458a_100000210414_200000101388 [1,1,0,0,0,0|1,0,1]=4 2046 B12R0.113 CCOCCOC(=O)CN(C)CC 2230a_100000225621_200000101388 [1,1,0,0,0,0|2,0,0]=4 2047 B12R0.113 CCOCCOC(=O)CN(C)CC 269982a_100000225621_200000101388 [1,1,0,0,0,0|2,0,0]=4 2048 B12R0.113 CCSCCNC(=O)CC(C)CC 11a_100000106463_100000708755 [1,1,0,0,0,0|2,0,0]=4 2049 B12R0.113 CCSCCNC(=O)CC(C)CC 1626a_100000106463_100000708755 [1,1,0,0,0,0|2,0,0]=4 2050 B12R0.113 CCSCCNC(=O)CC(C)CC 240690a_100000106463_100000708755 [1,1,0,0,0,0|2,0,0]=4 2051 B12R0.113 CCSCCNC(=O)CC(C)CC 527a_100000106463_100000708755 [1,1,0,0,0,0|2,0,0]=4 2052 B12R0.113 CCSCCNC(=O)CC(O)CC 1626a_100000106463_100011667805 [1,1,0,0,0,0|2,0,0]=4 2053 B12R0.113 CCSCCNC(=O)CC(O)CC 240690a_100000106463_100011667805 [1,1,0,0,0,0|2,0,0]=4 2054 B12R0.255 C/C=C/CCOC(C)CCC(C)C 34a_100016278192_100011261404 [1,1,0,0,0,0|1,0,1]=4 2055 B12R0.255 C=C(C)CCC(=O)CC/C=C\CC 1458a_200000688413_100015370543 [1,1,0,0,0,0|0,0,1]=3 2056 B12R0.255 CC/C=C\CCC(=O)C=CC(C)C 1458a_100016268746_100015370543 [1,1,0,0,0,0|0,0,2]=4 2057 B12R0.255 CC/C=C\CCC(=O)CC=C(C)C 1458a_100011220947_100015370543 [1,1,0,0,0,0|0,0,2]=4 2058 B12R0.255 CC/C=C\CCC(=O)CCC(=O)N 1458a_100011215257_100015370543 [1,1,0,0,0,0|1,0,1]=4 2059 B12R0.255 CC/C=C\CCC(=O)CCC(C)C 1458a_100000181311_100015370543 [1,1,0,0,0,0|0,0,0]=2 2060 B12R0.255 CC/C=C\CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100015370543 [1,1,0,0,0,0|2,0,0]=4 2061 B12R0.255 CC/C=C\CCC(=O)CC[S+](C)C 1458a_100009452791_100015370543 [1,1,0,0,0,0|1,0,0]=3 2062 B12R0.255 CC/C=C\CCC(=O)CNC(=O)C 1458a_100000194580_100015370543 [1,1,0,0,0,0|1,0,1]=4 2063 B12R0.255 CC/C=C\CCC(=O)COC(=O)C 1458a_100000183556_100015370543 [1,1,0,0,0,0|1,0,1]=4 2064 B12R0.255 CC/C=C\CCC(=O)COC(C)C 1458a_100000745533_100015370543 [1,1,0,0,0,0|1,0,0]=3 2065 B12R0.255 CC/C=C\CCC(=O)COC(F)F 1458a_200000719455_100015370543 [1,1,0,0,0,0|2,0,0]=4 2066 B12R0.255 CC/C=C\CCC(=O)CSC(=O)C 1458a_100000049016_100015370543 [1,1,0,0,0,0|1,0,1]=4 2067 B12R0.255 CC/C=C\CCC(=O)CSC(C)C 1458a_100000241585_100015370543 [1,1,0,0,0,0|1,0,0]=3 2068 B12R0.255 CC/C=C\CCC(=O)CSC(F)F 1458a_114828291038_100015370543 [1,1,0,0,0,0|2,0,0]=4 2069 B12R0.255 CC/C=C\CCN(C)CCC(C)C 2230a_100000742789_100015370543 [1,1,0,0,0,0|2,0,0]=4 2070 B12R0.255 CC/C=C\CCN(C)CCC(C)C 269982a_100000742789_100015370543 [1,1,0,0,0,0|2,0,0]=4 2071 B12R0.255 CC/C=C\COC(C)CCC(C)C 34a_100011215350_100103147603 [1,1,0,0,0,0|1,0,1]=4 2072 B12R0.255 CC/C=C\COC(C)CCC(C)C 34a_100016268518_100011261404 [1,1,0,0,0,0|1,0,1]=4 2073 B12R0.255 CC/C=C\COC(C)CCC(C)C 7a_100011215350_100103147603 [1,1,0,0,0,0|1,0,1]=4 2074 B12R0.255 CCC/C=C/CC(=O)CCC(C)C 1458a_200016266809_100000210312 [1,1,0,0,0,0|0,0,2]=4 2075 B12R0.255 CCC/C=C/CC(=O)CCC(C)O 1458a_200016266809_100012276601 [1,1,0,0,0,0|0,0,2]=4 2076 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [1,1,0,0,0,0|0,0,2]=4 2077 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [1,1,0,0,0,0|0,0,2]=4 2078 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [1,1,0,0,0,0|0,0,2]=4 2079 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [1,1,0,0,0,0|1,0,1]=4 2080 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [1,1,0,0,0,0|1,0,1]=4 2081 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [1,1,0,0,0,0|1,0,1]=4 2082 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [1,1,0,0,0,0|1,0,1]=4 2083 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [1,1,0,0,0,0|1,0,1]=4 2084 B12R0.255 CCCOCCC(=O)CCC(C)C 1458a_100000181311_100011215938 [1,1,0,0,0,0|1,0,1]=4 2085 B12R0.255 CCOCCCC(=O)CCC(C)C 1458a_100000181311_100012232248 [1,1,0,0,0,0|1,0,1]=4 2086 B12R0.255 CCOCCNC(=O)CCC(C)C 11a_100011200944_100000181311 [1,1,0,0,0,0|2,0,0]=4 2087 B12R0.255 CCOCCNC(=O)CCC(C)C 1626a_102516460346_100000181311 [1,1,0,0,0,0|2,0,0]=4 2088 B12R0.255 CCOCCNC(=O)CCC(C)C 240690a_100011200944_100000181311 [1,1,0,0,0,0|2,0,0]=4 2089 B12R0.255 CCOCCNC(=O)CCC(C)C 527a_100011200944_100000181311 [1,1,0,0,0,0|2,0,0]=4 2090 B12R0.255 CCOCCNC(=O)CCC(C)O 1626a_102516460346_100000718519 [1,1,0,0,0,0|2,0,0]=4 2091 B12R0.255 CCOCCOC(=O)CNC(C)C 2230a_100138425928_200000101388 [1,1,0,0,0,0|2,0,0]=4 2092 B12R0.255 CCOCCOC(=O)CNC(C)C 34a_100138425928_200000101388 [1,1,0,0,0,0|2,0,0]=4 2093 B12R0.255 CCOCCOC(=O)COC(C)C 34a_100000212225_200000101388 [1,1,0,0,0,0|2,0,0]=4 2094 B12R0.255 CCOCCOC(=O)CSC(C)C 62a_100000210206_200000101388 [1,1,0,0,0,0|2,0,0]=4 2095 B12R0.255 CCOCCOC(=O)CSC(C)C 62a_200000101388_100000210206 [1,1,0,0,0,0|2,0,0]=4 2096 B12R0.255 CCSCCNC(=O)CCC(C)C 11a_100000106463_100000181311 [1,1,0,0,0,0|2,0,0]=4 2097 B12R0.255 CCSCCNC(=O)CCC(C)C 1626a_100000106463_100000181311 [1,1,0,0,0,0|2,0,0]=4 2098 B12R0.255 CCSCCNC(=O)CCC(C)C 240690a_100000106463_100000181311 [1,1,0,0,0,0|2,0,0]=4 2099 B12R0.255 CCSCCNC(=O)CCC(C)C 527a_100000106463_100000181311 [1,1,0,0,0,0|2,0,0]=4 2100 B12R0.255 CCSCCNC(=O)CCC(C)O 1626a_100000106463_100000718519 [1,1,0,0,0,0|2,0,0]=4 2101 B12R0.585 CC/C=C\COC(C)(C)CCCC 7a_100011219641_100103147603 [1,1,0,0,0,0|1,0,1]=4 2102 B12R0.648 CC/C=C\CC(=O)C(=O)NCCC 1458a_200011297150_100103147603 [1,1,0,0,0,0|1,0,1]=4 2103 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [1,1,0,0,0,0|0,0,2]=4 2104 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [1,1,0,0,0,0|0,0,2]=4 2105 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [1,1,0,0,0,0|1,0,1]=4 2106 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [1,1,0,0,0,0|1,0,1]=4 2107 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [1,1,0,0,0,0|1,0,1]=4 2108 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [1,1,0,0,0,0|1,0,1]=4 2109 B14R0.11 CCC=CC(=O)CCCC(=O)NCCC 1458a_100000212282_100011194427 [0,2,0,0,0,0|2,0,0]=4 2110 B14R0.11 CCCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100000210211 [0,2,0,0,0,0|1,0,1]=4 2111 B14R0.11 CCCCC(=O)CCCC(=O)NCCC 1458a_100000210183_100011194427 [0,2,0,0,0,0|1,0,1]=4 2112 B14R0.80 CC/C=C/CCCOC(CC)CCCC 34a_100016287902_200011216223 [0,2,0,0,0,0|1,0,1]=4 2113 B14R0.80 CC/C=C/CCCOC(CC)CCCC 7a_100016287902_200011216223 [0,2,0,0,0,0|1,0,1]=4 2114 B14R0.80 CC/C=C\CCOC/C(=C/CCC)/CC 34a_200015372368_100015370543 [0,2,0,0,0,0|1,0,1]=4 2115 B14R0.80 CC/C=C\CCOC/C(=C/CCC)/CC 7a_200015372368_100015370543 [0,2,0,0,0,0|1,0,1]=4 2116 B14R0.80 CC/C=C\CCOCC(CC)CCCC 34a_100000210273_100015370543 [0,2,0,0,0,0|1,0,1]=4 2117 B14R0.80 CC/C=C\CCOCC(CC)CCCC 34a_100016288707_100000211942 [0,2,0,0,0,0|1,0,1]=4 2118 B14R0.80 CC/C=C\CCOCC(CC)CCCC 7a_100000210273_100015370543 [0,2,0,0,0,0|1,0,1]=4 2119 B14R0.80 CC/C=C\CCOCC(CC)CCCC 7a_100016288707_100000211942 [0,2,0,0,0,0|1,0,1]=4 2120 B14R0.82 CC/C=C\CCOCC(=O)NC(C)CC 34a_100016288707_100000182745 [0,2,0,0,0,0|1,0,0]=3 2121 B14R0.82 CC/C=C\CCOCC(=O)NC(C)CC 7a_100016288707_100000182745 [0,2,0,0,0,0|1,0,0]=3 2122 B14R0.82 CC/C=C\CCSCC(=O)NC(C)CC 62a_100000182745_100015370543 [0,2,0,0,0,0|1,1,0]=4 2123 B14R0.82 CC/C=C\CCSCC(=O)NC(C)CC 62a_100015370543_100000182745 [0,2,0,0,0,0|1,1,0]=4 2124 B14R0.152 CCCNC(=O)COCCNC(=O)CC 34a_200000158885_100000183358 [0,2,0,0,0,0|2,0,0]=4 2125 B14R0.152 CCCNC(=O)COCCNC(=O)CC 7a_200000158885_100000183358 [0,2,0,0,0,0|2,0,0]=4 2126 B14R0.152 CCCNC(=O)COCCOC(=O)CC 7a_200000031056_100000183358 [0,2,0,0,0,0|2,0,0]=4 2127 B14R0.152 CCCOC(=O)COCCNC(=O)CC 34a_200000158885_200011215008 [0,2,0,0,0,0|2,0,0]=4 2128 B14R0.152 CCCOC(=O)COCCNC(=O)CC 7a_200000158885_200011215008 [0,2,0,0,0,0|2,0,0]=4 2129 B14R0.152 CCCOC(=O)COCCOC(=O)CC 7a_200000031056_200011215008 [0,2,0,0,0,0|2,0,0]=4 2130 B14R0.153 CC(C)/C=C/CCCCC(=O)CCCF 1458a_200016995844_100011934791 [0,2,0,0,0,0|2,0,0]=4 2131 B14R0.153 CC(C)/C=C/CCCCC(=O)CCCO 1458a_200016995844_100011215043 [0,2,0,0,0,0|2,0,0]=4 2132 B14R0.153 CCCCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210211 [0,2,0,0,0,0|1,0,0]=3 2133 B14R0.153 CCCNC(=O)CCCC/C=C/C(C)C 11a_100020643023_200016995844 [0,2,0,0,0,0|2,0,0]=4 2134 B14R0.153 CCCNC(=O)CCCC/C=C/C(C)C 1626a_100020643023_200016995844 [0,2,0,0,0,0|2,0,0]=4 2135 B14R0.153 CCCNC(=O)CCCC/C=C/C(C)C 240690a_100020643023_200016995844 [0,2,0,0,0,0|2,0,0]=4 2136 B14R0.153 CCCNC(=O)CCCC/C=C/C(C)C 527a_100020643023_200016995844 [0,2,0,0,0,0|2,0,0]=4 2137 B14R0.153 COCCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000233755 [0,2,0,0,0,0|2,0,0]=4 2138 B14R0.153 CSCCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000751147 [0,2,0,0,0,0|2,0,0]=4 2139 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100000210183_100000750268 [0,2,0,0,0,0|1,0,1]=4 2140 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210211 [0,2,0,0,0,0|1,0,1]=4 2141 B14R0.163 CCCCC(=O)CCOCC(=O)OCC 1458a_100000210183_100000088970 [0,2,0,0,0,0|2,0,0]=4 2142 B14R0.163 CCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000210183 [0,2,0,0,0,0|1,0,1]=4 2143 B14R0.163 CCCOC(=O)OCSCC(=O)CCC 62a_100000747444_200000139673 [0,2,0,0,0,0|1,0,1]=4 2144 B14R0.163 CCCOC(=O)OCSCC(=O)NCC 62a_100000183381_200000139673 [0,2,0,0,0,0|2,0,0]=4 2145 B14R0.163 CCCOC(=O)OCSCC(=O)OCC 62a_100000188475_200000139673 [0,2,0,0,0,0|2,0,0]=4 2146 B14R0.179 C/C=C/C=C/COCC(=O)CCCCC 34a_100016283227_200012276598 [0,2,0,0,0,0|0,0,2]=4 2147 B14R0.179 C/C=C/C=C/COCC(=O)NCCCC 34a_100016283227_100000182744 [0,2,0,0,0,0|0,0,2]=4 2148 B14R0.179 C/C=C/C=C/COCC(=O)OCCCC 34a_100016283227_100000211628 [0,2,0,0,0,0|0,0,2]=4 2149 B14R0.179 CC/C=C/CCCOC(C)CCCCC 34a_100016287902_200011218191 [0,2,0,0,0,0|1,0,1]=4 2150 B14R0.179 CC/C=C/CCCOC(C)CCCCC 7a_100016287902_200011218191 [0,2,0,0,0,0|1,0,1]=4 2151 B14R0.179 CC/C=C\CCNCC(=O)NCCOC 2230a_100000754632_100015370543 [0,2,0,0,0,0|2,0,0]=4 2152 B14R0.179 CC/C=C\CCOCC(=O)CCCCC 34a_100016288707_200012276598 [0,2,0,0,0,0|0,0,0]=2 2153 B14R0.179 CC/C=C\CCOCC(=O)CCCCC 7a_100016288707_200012276598 [0,2,0,0,0,0|0,0,0]=2 2154 B14R0.179 CC/C=C\CCOCC(=O)NCCCC 34a_100016288707_100000182744 [0,2,0,0,0,0|0,0,0]=2 2155 B14R0.179 CC/C=C\CCOCC(=O)NCCCC 7a_100016288707_100000182744 [0,2,0,0,0,0|0,0,0]=2 2156 B14R0.179 CC/C=C\CCOCC(=O)NCCOC 34a_100016288707_100000183275 [0,2,0,0,0,0|1,0,0]=3 2157 B14R0.179 CC/C=C\CCOCC(=O)NCCOC 7a_100016288707_100000183275 [0,2,0,0,0,0|1,0,0]=3 2158 B14R0.179 CC/C=C\CCOCC(=O)OCCCC 34a_100016288707_100000211628 [0,2,0,0,0,0|0,0,0]=2 2159 B14R0.179 CC/C=C\CCOCC(=O)OCCCC 7a_100016288707_100000211628 [0,2,0,0,0,0|0,0,0]=2 2160 B14R0.179 CC/C=C\CCOCC(=O)OCCOC 34a_100016288707_200000040189 [0,2,0,0,0,0|1,0,0]=3 2161 B14R0.179 CC/C=C\CCOCC(=O)OCCOC 7a_100016288707_200000040189 [0,2,0,0,0,0|1,0,0]=3 2162 B14R0.179 CC/C=C\CCOC[C@@H](N)CCCCN 34a_100016993712_100015370543 [0,2,0,0,0,0|1,0,1]=4 2163 B14R0.179 CC/C=C\CCSCC(=O)CCCCC 62a_100015370543_200012276598 [0,2,0,0,0,0|0,1,0]=3 2164 B14R0.179 CC/C=C\CCSCC(=O)CCCCC 62a_200012276598_100015370543 [0,2,0,0,0,0|0,1,0]=3 2165 B14R0.179 CC/C=C\CCSCC(=O)NCCCC 62a_100000182744_100015370543 [0,2,0,0,0,0|0,1,0]=3 2166 B14R0.179 CC/C=C\CCSCC(=O)NCCCC 62a_100015370543_100000182744 [0,2,0,0,0,0|0,1,0]=3 2167 B14R0.179 CC/C=C\CCSCC(=O)NCCOC 62a_100000183275_100015370543 [0,2,0,0,0,0|1,1,0]=4 2168 B14R0.179 CC/C=C\CCSCC(=O)NCCOC 62a_100015370543_100000183275 [0,2,0,0,0,0|1,1,0]=4 2169 B14R0.179 CC/C=C\CCSCC(=O)OCCCC 62a_100000211628_100015370543 [0,2,0,0,0,0|0,1,0]=3 2170 B14R0.179 CC/C=C\CCSCC(=O)OCCCC 62a_100015370543_100000211628 [0,2,0,0,0,0|0,1,0]=3 2171 B14R0.179 CC/C=C\CCSCC(=O)OCCOC 62a_100015370543_200000040189 [0,2,0,0,0,0|1,1,0]=4 2172 B14R0.179 CC/C=C\CCSCC(=O)OCCOC 62a_200000040189_100015370543 [0,2,0,0,0,0|1,1,0]=4 2173 B14R0.179 CC=C=CCCOCC(=O)CCCCC 34a_100011020354_200012276598 [0,2,0,0,0,0|0,0,2]=4 2174 B14R0.179 CC=C=CCCOCC(=O)NCCCC 34a_100011020354_100000182744 [0,2,0,0,0,0|0,0,2]=4 2175 B14R0.179 CC=C=CCCOCC(=O)OCCCC 34a_100011020354_100000211628 [0,2,0,0,0,0|0,0,2]=4 2176 B14R0.179 CC=CCCCOCC(=O)CCCCC 34a_100020645299_200012276598 [0,2,0,0,0,0|0,0,2]=4 2177 B14R0.179 CC=CCCCOCC(=O)NCCCC 34a_100020645299_100000182744 [0,2,0,0,0,0|0,0,2]=4 2178 B14R0.179 CC=CCCCOCC(=O)OCCCC 34a_100020645299_100000211628 [0,2,0,0,0,0|0,0,2]=4 2179 B14R0.179 CCC#CCCOCC(=O)CCCCC 34a_100000036655_200012276598 [0,2,0,0,0,0|0,0,2]=4 2180 B14R0.179 CCC#CCCOCC(=O)CCCCC 7a_100000036655_200012276598 [0,2,0,0,0,0|0,0,2]=4 2181 B14R0.179 CCC#CCCOCC(=O)NCCCC 34a_100000036655_100000182744 [0,2,0,0,0,0|0,0,2]=4 2182 B14R0.179 CCC#CCCOCC(=O)NCCCC 7a_100000036655_100000182744 [0,2,0,0,0,0|0,0,2]=4 2183 B14R0.179 CCC#CCCOCC(=O)OCCCC 34a_100000036655_100000211628 [0,2,0,0,0,0|0,0,2]=4 2184 B14R0.179 CCC#CCCOCC(=O)OCCCC 7a_100000036655_100000211628 [0,2,0,0,0,0|0,0,2]=4 2185 B14R0.179 CCC/C=C/COCC(=O)CCCCC 34a_100016278788_200012276598 [0,2,0,0,0,0|0,0,2]=4 2186 B14R0.179 CCC/C=C/COCC(=O)CCCCC 7a_100016278788_200012276598 [0,2,0,0,0,0|0,0,2]=4 2187 B14R0.179 CCC/C=C/COCC(=O)NCCCC 34a_100016278788_100000182744 [0,2,0,0,0,0|0,0,2]=4 2188 B14R0.179 CCC/C=C/COCC(=O)NCCCC 7a_100016278788_100000182744 [0,2,0,0,0,0|0,0,2]=4 2189 B14R0.179 CCC/C=C/COCC(=O)OCCCC 34a_100016278788_100000211628 [0,2,0,0,0,0|0,0,2]=4 2190 B14R0.179 CCC/C=C/COCC(=O)OCCCC 7a_100016278788_100000211628 [0,2,0,0,0,0|0,0,2]=4 2191 B14R0.179 CCCCCC(=O)COCCCOCC 34a_100000757476_200012276598 [0,2,0,0,0,0|1,0,1]=4 2192 B14R0.179 CCCCCC(=O)COCCCOCC 7a_100000757476_200012276598 [0,2,0,0,0,0|1,0,1]=4 2193 B14R0.179 CCCCCC(=O)COCCCSCC 34a_100011216438_200012276598 [0,2,0,0,0,0|1,0,1]=4 2194 B14R0.179 CCCCCC(=O)COCCCSCC 7a_100011216438_200012276598 [0,2,0,0,0,0|1,0,1]=4 2195 B14R0.179 CCCCCC(=O)COCCOCCC 34a_100000752267_200012276598 [0,2,0,0,0,0|1,0,1]=4 2196 B14R0.179 CCCCCC(=O)COCCOCCC 7a_100000752267_200012276598 [0,2,0,0,0,0|1,0,1]=4 2197 B14R0.179 CCCCCC(=O)COCCSCCC 34a_200000230433_200012276598 [0,2,0,0,0,0|1,0,1]=4 2198 B14R0.179 CCCCCC(=O)COCCSCCC 7a_200000230433_200012276598 [0,2,0,0,0,0|1,0,1]=4 2199 B14R0.179 CCCCCCOCC(=O)CCCCC 34a_100000210259_200012276598 [0,2,0,0,0,0|0,0,2]=4 2200 B14R0.179 CCCCCCOCC(=O)CCCCC 7a_100000210259_200012276598 [0,2,0,0,0,0|0,0,2]=4 2201 B14R0.179 CCCCCCOCC(=O)NCCCC 34a_100000210259_100000182744 [0,2,0,0,0,0|0,0,2]=4 2202 B14R0.179 CCCCCCOCC(=O)NCCCC 7a_100000210259_100000182744 [0,2,0,0,0,0|0,0,2]=4 2203 B14R0.179 CCCCCCOCC(=O)OCCCC 34a_100000210259_100000211628 [0,2,0,0,0,0|0,0,2]=4 2204 B14R0.179 CCCCCCOCC(=O)OCCCC 7a_100000210259_100000211628 [0,2,0,0,0,0|0,0,2]=4 2205 B14R0.179 CCCCNC(=O)COCCCOCC 34a_100000757476_100000182744 [0,2,0,0,0,0|1,0,1]=4 2206 B14R0.179 CCCCNC(=O)COCCCOCC 7a_100000757476_100000182744 [0,2,0,0,0,0|1,0,1]=4 2207 B14R0.179 CCCCNC(=O)COCCCSCC 34a_100011216438_100000182744 [0,2,0,0,0,0|1,0,1]=4 2208 B14R0.179 CCCCNC(=O)COCCCSCC 7a_100011216438_100000182744 [0,2,0,0,0,0|1,0,1]=4 2209 B14R0.179 CCCCNC(=O)COCCOCCC 34a_100000752267_100000182744 [0,2,0,0,0,0|1,0,1]=4 2210 B14R0.179 CCCCNC(=O)COCCOCCC 7a_100000752267_100000182744 [0,2,0,0,0,0|1,0,1]=4 2211 B14R0.179 CCCCNC(=O)COCCSCCC 34a_200000230433_100000182744 [0,2,0,0,0,0|1,0,1]=4 2212 B14R0.179 CCCCNC(=O)COCCSCCC 7a_200000230433_100000182744 [0,2,0,0,0,0|1,0,1]=4 2213 B14R0.179 CCCCOC(=O)COCCCOCC 34a_100000757476_100000211628 [0,2,0,0,0,0|1,0,1]=4 2214 B14R0.179 CCCCOC(=O)COCCCOCC 7a_100000757476_100000211628 [0,2,0,0,0,0|1,0,1]=4 2215 B14R0.179 CCCCOC(=O)COCCCSCC 34a_100011216438_100000211628 [0,2,0,0,0,0|1,0,1]=4 2216 B14R0.179 CCCCOC(=O)COCCCSCC 7a_100011216438_100000211628 [0,2,0,0,0,0|1,0,1]=4 2217 B14R0.179 CCCCOC(=O)COCCOCCC 34a_100000752267_100000211628 [0,2,0,0,0,0|1,0,1]=4 2218 B14R0.179 CCCCOC(=O)COCCOCCC 7a_100000752267_100000211628 [0,2,0,0,0,0|1,0,1]=4 2219 B14R0.179 CCCCOC(=O)COCCSCCC 34a_200000230433_100000211628 [0,2,0,0,0,0|1,0,1]=4 2220 B14R0.179 CCCCOC(=O)COCCSCCC 7a_200000230433_100000211628 [0,2,0,0,0,0|1,0,1]=4 2221 B14R0.203 CC/C=C\CCN(C)CC(=O)NCCC 2230a_100000684209_100015370543 [0,2,0,0,0,0|2,0,0]=4 2222 B14R0.203 CC/C=C\CCN(C)CC(=O)NCCC 269982a_100000684209_100015370543 [0,2,0,0,0,0|2,0,0]=4 2223 B14R0.344 CC/C=C/CCCOC(C)CCC(C)C 34a_100016287902_100011261404 [0,2,0,0,0,0|1,0,1]=4 2224 B14R0.344 CC/C=C\CCOCC(=O)COC(=O)C 34a_100016288707_100000036994 [0,2,0,0,0,0|1,0,1]=4 2225 B14R0.344 CC/C=C\CCOCC(=O)NCC(C)C 34a_100016288707_100000183291 [0,2,0,0,0,0|1,0,0]=3 2226 B14R0.344 CC/C=C\CCOCC(=O)NCC(C)C 7a_100016288707_100000183291 [0,2,0,0,0,0|1,0,0]=3 2227 B14R0.344 CC/C=C\CCSCC(=O)NCC(C)C 62a_100000183291_100015370543 [0,2,0,0,0,0|1,1,0]=4 2228 B14R0.344 CC/C=C\CCSCC(=O)NCC(C)C 62a_100015370543_100000183291 [0,2,0,0,0,0|1,1,0]=4 2229 B14R0.493 C#CCCC(=O)CCOCC/C=C\CC 34a_100011064465_100015370543 [0,2,0,0,0,0|0,0,2]=4 2230 B14R0.493 C#CCCC(=O)CCOCC/C=C\CC 7a_100011064465_100015370543 [0,2,0,0,0,0|0,0,2]=4 2231 B14R0.493 C/C=C/C=C/COCOC(=O)OCCC 34a_100016283227_200000139673 [0,2,0,0,0,0|1,0,1]=4 2232 B14R0.493 CC/C=C/CCCOCC(=O)NCCC 34a_100016287902_100000183358 [0,2,0,0,0,0|1,0,0]=3 2233 B14R0.493 CC/C=C/CCCOCC(=O)NCCC 7a_100016287902_100000183358 [0,2,0,0,0,0|1,0,0]=3 2234 B14R0.493 CC/C=C/CCCOCC(=O)OCCC 34a_100016287902_200011215008 [0,2,0,0,0,0|1,0,0]=3 2235 B14R0.493 CC/C=C/CCCOCC(=O)OCCC 7a_100016287902_200011215008 [0,2,0,0,0,0|1,0,0]=3 2236 B14R0.493 CC/C=C\CCC=NNC(=O)CCCC 4a_100000189769_100016279218 [0,2,0,0,0,0|1,0,0]=3 2237 B14R0.493 CC/C=C\CCC=NNC(=O)CCOC 4a_100011260505_100016279218 [0,2,0,0,0,0|2,0,0]=4 2238 B14R0.493 CC/C=C\CCC=NNC(=O)COCC 4a_100000216846_100016279218 [0,2,0,0,0,0|2,0,0]=4 2239 B14R0.493 CC/C=C\CCCCOC(C)CCCC 34a_100016287862_200011215066 [0,2,0,0,0,0|1,0,1]=4 2240 B14R0.493 CC/C=C\CCCCOC(C)CCCC 7a_100016287862_200011215066 [0,2,0,0,0,0|1,0,1]=4 2241 B14R0.493 CC/C=C\CCOCOC(=O)OCCC 34a_100016288707_200000139673 [0,2,0,0,0,0|1,0,0]=3 2242 B14R0.493 CC/C=C\CCOCOC(=O)OCCC 7a_100016288707_200000139673 [0,2,0,0,0,0|1,0,0]=3 2243 B14R0.493 CC/C=C\CCSCOC(=O)OCCC 62a_100015370543_200000139673 [0,2,0,0,0,0|1,0,0]=3 2244 B14R0.493 CC/C=C\CSCCCC(=O)NCCC 62a_100011194427_100103147603 [0,2,0,0,0,0|2,0,0]=4 2245 B14R0.493 CC/C=C\CSCCCC(=O)NCCC 62a_100103147603_100011194427 [0,2,0,0,0,0|2,0,0]=4 2246 B14R0.493 CCC/C=C/COCOC(=O)OCCC 34a_100016278788_200000139673 [0,2,0,0,0,0|1,0,0]=3 2247 B14R0.493 CCC/C=C/COCOC(=O)OCCC 7a_100016278788_200000139673 [0,2,0,0,0,0|1,0,0]=3 2248 B14R0.493 CCCC/C=C\CCOC(C)CCCC 34a_200016286491_200011215066 [0,2,0,0,0,0|1,0,1]=4 2249 B14R0.493 CCCC/C=C\CCOC(C)CCCC 7a_200016286491_200011215066 [0,2,0,0,0,0|1,0,1]=4 2250 B14R0.493 CCCCC(=O)COCCOCCOC 1458a_100011214951_100000210211 [0,2,0,0,0,0|1,0,1]=4 2251 B14R0.493 CCCCOCCOCC(=O)CCCC 1458a_100011216887_100000210211 [0,2,0,0,0,0|0,0,2]=4 2252 B14R0.529 CC/C=C/CC(=O)COC(=O)OCCC 1458a_100016274230_200000139673 [0,2,0,0,0,0|1,0,0]=3 2253 B14R0.529 CC/C=C/CC(=O)NNC(=O)CCCC 22a_100000189769_100016274230 [0,2,0,0,0,0|1,0,1]=4 2254 B14R0.529 CC/C=C\CC(=O)CCC(=O)NCCC 1458a_100000199543_100103147603 [0,2,0,0,0,0|2,0,0]=4 2255 B14R0.529 CCCC=CC(=O)COC(=O)OCCC 1458a_100000212230_200000139673 [0,2,0,0,0,0|1,0,1]=4 2256 B14R0.529 CCCOC(=O)OCC(=O)C=CCOC 1458a_100016285016_200000139673 [0,2,0,0,0,0|1,0,1]=4 2257 B14R0.529 CCCOC(=O)OCC(=O)C=COCC 1458a_100016266692_200000139673 [0,2,0,0,0,0|1,0,1]=4 2258 B14R0.1095 C#CCOC(C)C(=O)OCC/C=C\CC 34a_200020655201_100000184674 [0,2,0,0,0,0|0,0,2]=4 2259 B14R0.1095 C#CCOC(C)C(=O)OCC/C=C\CC 7a_200020655201_100000038162 [0,2,0,0,0,0|0,0,2]=4 2260 B14R0.1095 C=CCOC(C)C(=O)OCC/C=C\CC 34a_200020655201_100015514636 [0,2,0,0,0,0|0,0,2]=4 2261 B14R0.1095 C=CCOC(C)C(=O)OCC/C=C\CC 7a_200020655201_100015514636 [0,2,0,0,0,0|0,0,2]=4 2262 B14R0.1095 CC/C=C\CCNC(C)C(=O)NCCC 2230a_100025744714_100015370543 [0,2,0,0,0,0|2,0,0]=4 2263 B14R0.1095 CC/C=C\CCNC(C)C(=O)NCCC 34a_100025744714_100015370543 [0,2,0,0,0,0|2,0,0]=4 2264 B14R0.1095 CC/C=C\CCOC(=O)C(=NNCC)C 4a_100000756455_200020667342 [0,2,0,0,0,0|1,0,1]=4 2265 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCC#N 7a_200020655201_100011215382 [0,2,0,0,0,0|1,0,1]=4 2266 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCC=O 34a_200020655201_200009817547 [0,2,0,0,0,0|1,0,1]=4 2267 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCC=O 7a_200020655201_200015260668 [0,2,0,0,0,0|1,0,1]=4 2268 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCC 34a_200020655201_100000210303 [0,2,0,0,0,0|0,0,0]=2 2269 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCC 7a_200020655201_100000210303 [0,2,0,0,0,0|0,0,0]=2 2270 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCF 34a_200020655201_100011217306 [0,2,0,0,0,0|1,0,0]=3 2271 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCF 7a_200020655201_100011217306 [0,2,0,0,0,0|1,0,0]=3 2272 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCO 34a_200020655201_100000211926 [0,2,0,0,0,0|1,0,0]=3 2273 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCO 7a_200020655201_100000211926 [0,2,0,0,0,0|1,0,0]=3 2274 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCSC 34a_200020655201_100011218213 [0,2,0,0,0,0|1,0,0]=3 2275 B14R0.1095 CC/C=C\CCOC(C)C(=O)NCCC 34a_100016288707_100000230305 [0,2,0,0,0,0|1,0,0]=3 2276 B14R0.1095 CC/C=C\CCOC(C)C(=O)NCCC 7a_100016288707_100000230305 [0,2,0,0,0,0|1,0,0]=3 2277 B14R0.1095 CC/C=C\CCOC(C)C(=O)OCCC 34a_100000037348_100015370543 [0,2,0,0,0,0|1,0,0]=3 2278 B14R0.1095 CC/C=C\CCOC(C)C(=O)OCCC 34a_100016288707_100000760410 [0,2,0,0,0,0|1,0,0]=3 2279 B14R0.1095 CC/C=C\CCOC(C)C(=O)OCCC 7a_100000037348_100015370543 [0,2,0,0,0,0|1,0,0]=3 2280 B14R0.1095 CC/C=C\CCOC(C)C(=O)OCCC 7a_100016288707_100000760410 [0,2,0,0,0,0|1,0,0]=3 2281 B14R0.1095 CC/C=C\CCSC(C)C(=O)NCCC 62a_100000230305_100015370543 [0,2,0,0,0,0|1,1,0]=4 2282 B14R0.1095 CC/C=C\CCSC(C)C(=O)NCCC 62a_100015370543_100000230305 [0,2,0,0,0,0|1,1,0]=4 2283 B14R0.1095 CC/C=C\CCSC(C)C(=O)OCCC 62a_100000760410_100015370543 [0,2,0,0,0,0|1,1,0]=4 2284 B14R0.1095 CC/C=C\CCSC(C)C(=O)OCCC 62a_100015370543_100000760410 [0,2,0,0,0,0|1,1,0]=4 2285 B14R0.1095 CC/C=C\COCC(=O)N(C)CCCC 34a_100016268518_100000230175 [0,2,0,0,0,0|2,0,0]=4 2286 B14R0.1095 CC/C=C\CSCC(=O)N(C)CCCC 62a_100000230175_100103147603 [0,2,0,0,0,0|2,0,0]=4 2287 B14R0.1095 CC/C=C\CSCC(=O)N(C)CCCC 62a_100103147603_100000230175 [0,2,0,0,0,0|2,0,0]=4 2288 B14R0.2489 CC/C=C\CCOCC(C)(C)CCCC 7a_200011995781_100015370543 [0,2,0,0,0,0|1,0,1]=4 2289 B14R0.2489 CC/C=C\CCOC[Si](C)(C)CCCC 7a_100016288707_200000073895 [0,2,0,0,0,0|1,1,0]=4 2290 B14R0.157 CCCCC(=O)NCCNC(=O)C(C)C 11a_100000752568_100000210183 [0,2,0,0,0,0|2,0,0]=4 2291 B14R0.157 CCCCC(=O)NCCNC(=O)C(C)C 240690a_100000752568_100000210183 [0,2,0,0,0,0|2,0,0]=4 2292 B14R0.157 CCCCC(=O)NCCNC(=O)C(C)C 527a_100000752568_100000210183 [0,2,0,0,0,0|2,0,0]=4 2293 B14R0.195 CCC(=O)NCCNC(=O)CCC(C)C 11a_100132302217_100000181311 [0,2,0,0,0,0|2,0,0]=4 2294 B14R0.195 CCC(=O)NCCNC(=O)CCC(C)C 1626a_100132302217_100000181311 [0,2,0,0,0,0|2,0,0]=4 2295 B14R0.195 CCC(=O)NCCNC(=O)CCC(C)C 240690a_100132302217_100000181311 [0,2,0,0,0,0|2,0,0]=4 2296 B14R0.195 CCC(=O)NCCNC(=O)CCC(C)C 527a_100132302217_100000181311 [0,2,0,0,0,0|2,0,0]=4 2297 B14R0.195 CCC(=O)NCCNC(=O)CCC(C)O 1626a_100132302217_100000718519 [0,2,0,0,0,0|2,0,0]=4 2298 B14R0.206 CCCOC(=O)OCC(=O)C=C(C)CC 1458a_100020758463_200000139673 [0,2,0,0,0,0|1,0,1]=4 2299 B14R0.226 CCC(=O)NCCNC(=O)CCCCO 1626a_100132302217_100000695505 [0,2,0,0,0,0|2,0,0]=4 2300 B14R0.226 CCC(=O)NCCNC(=O)CCCOC 11a_100132302217_100000741012 [0,2,0,0,0,0|2,0,0]=4 2301 B14R0.226 CCC(=O)NCCNC(=O)CCCOC 1626a_100132302217_100000741012 [0,2,0,0,0,0|2,0,0]=4 2302 B14R0.226 CCC(=O)NCCNC(=O)CCCOC 240690a_100132302217_100000741012 [0,2,0,0,0,0|2,0,0]=4 2303 B14R0.226 CCC(=O)NCCNC(=O)CCCOC 527a_100132302217_100000741012 [0,2,0,0,0,0|2,0,0]=4 2304 B14R0.226 CCC(=O)NCCNC(=O)CCCSC 11a_100132302217_100000173376 [0,2,0,0,0,0|2,0,0]=4 2305 B14R0.226 CCC(=O)NCCNC(=O)CCCSC 1626a_100132302217_100000173376 [0,2,0,0,0,0|2,0,0]=4 2306 B14R0.226 CCC(=O)NCCNC(=O)CCCSC 240690a_100132302217_100000173376 [0,2,0,0,0,0|2,0,0]=4 2307 B14R0.226 CCC(=O)NCCNC(=O)CCCSC 527a_100132302217_100000173376 [0,2,0,0,0,0|2,0,0]=4 2308 B14R0.226 CCCCCC(=O)NCCNC(=O)CC 11a_100132302217_100000212188 [0,2,0,0,0,0|2,0,0]=4 2309 B14R0.226 CCCCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000212188 [0,2,0,0,0,0|2,0,0]=4 2310 B14R0.226 CCCCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000212188 [0,2,0,0,0,0|2,0,0]=4 2311 B14R0.226 CCCCCC(=O)NCCNC(=O)CC 527a_100132302217_100000212188 [0,2,0,0,0,0|2,0,0]=4 2312 B14R0.226 CCCCNC(=O)NCCNC(=O)CC 2708a_100000102301_100132302217 [0,2,0,0,0,0|2,0,0]=4 2313 B14R0.226 CCCCNC(=O)NCCNC(=O)CC 2708a_100132302217_100000102301 [0,2,0,0,0,0|2,0,0]=4 2314 B14R0.226 CCCCNC(=O)NCCNC(=O)CC 273464a_100000102301_100132302217 [0,2,0,0,0,0|2,0,0]=4 2315 B14R0.226 CCCCNC(=O)NCCNC(=O)CC 273464a_100132302217_100000102301 [0,2,0,0,0,0|2,0,0]=4 2316 B14R0.226 CCCCNC(=O)NCCNC(=O)CC 512a_100000102301_100132302217 [0,2,0,0,0,0|2,0,0]=4 2317 B14R0.226 CCCCNC(=O)NCCNC(=O)CC 512a_100132302217_100000102301 [0,2,0,0,0,0|2,0,0]=4 2318 B14R0.226 CCCOCC(=O)NCCNC(=O)CC 11a_100132302217_100000745993 [0,2,0,0,0,0|2,0,0]=4 2319 B14R0.226 CCCOCC(=O)NCCNC(=O)CC 1626a_100132302217_100000745993 [0,2,0,0,0,0|2,0,0]=4 2320 B14R0.226 CCCOCC(=O)NCCNC(=O)CC 240690a_100132302217_100000745993 [0,2,0,0,0,0|2,0,0]=4 2321 B14R0.226 CCCOCC(=O)NCCNC(=O)CC 527a_100132302217_100000745993 [0,2,0,0,0,0|2,0,0]=4 2322 B14R0.226 CCCSCC(=O)NCCNC(=O)CC 11a_100132302217_100000217233 [0,2,0,0,0,0|2,0,0]=4 2323 B14R0.226 CCCSCC(=O)NCCNC(=O)CC 1626a_100132302217_100000217233 [0,2,0,0,0,0|2,0,0]=4 2324 B14R0.226 CCCSCC(=O)NCCNC(=O)CC 240690a_100132302217_100000217233 [0,2,0,0,0,0|2,0,0]=4 2325 B14R0.226 CCCSCC(=O)NCCNC(=O)CC 527a_100132302217_100000217233 [0,2,0,0,0,0|2,0,0]=4 2326 B14R0.226 CCOCCC(=O)NCCNC(=O)CC 11a_100132302217_100000749530 [0,2,0,0,0,0|2,0,0]=4 2327 B14R0.226 CCOCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000749530 [0,2,0,0,0,0|2,0,0]=4 2328 B14R0.226 CCOCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000749530 [0,2,0,0,0,0|2,0,0]=4 2329 B14R0.226 CCOCCC(=O)NCCNC(=O)CC 527a_100132302217_100000749530 [0,2,0,0,0,0|2,0,0]=4 2330 B14R0.226 CCSCCC(=O)NCCNC(=O)CC 11a_100132302217_100000230768 [0,2,0,0,0,0|2,0,0]=4 2331 B14R0.226 CCSCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000230768 [0,2,0,0,0,0|2,0,0]=4 2332 B14R0.226 CCSCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000230768 [0,2,0,0,0,0|2,0,0]=4 2333 B14R0.226 CCSCCC(=O)NCCNC(=O)CC 527a_100132302217_100000230768 [0,2,0,0,0,0|2,0,0]=4 2334 B14R0.310 CCCC(C)C(=O)NCCNC(=O)CC 11a_100132302217_100000210906 [0,2,0,0,0,0|2,0,0]=4 2335 B14R0.310 CCCC(C)C(=O)NCCNC(=O)CC 1626a_100132302217_100000210906 [0,2,0,0,0,0|2,0,0]=4 2336 B14R0.310 CCCC(C)C(=O)NCCNC(=O)CC 240690a_100132302217_100000210906 [0,2,0,0,0,0|2,0,0]=4 2337 B14R0.310 CCCC(C)C(=O)NCCNC(=O)CC 527a_100132302217_100000210906 [0,2,0,0,0,0|2,0,0]=4 2338 B14R0.310 CCC[C@H](O)C(=O)NCCNC(=O)CC 240690a_100132302217_100009822183 [0,2,0,0,0,0|2,0,0]=4 2339 B14R0.2341 CCC(=O)NCCNC(=O)CC(C)CC 11a_100132302217_100000708755 [0,2,0,0,0,0|2,0,0]=4 2340 B14R0.2341 CCC(=O)NCCNC(=O)CC(C)CC 1626a_100132302217_100000708755 [0,2,0,0,0,0|2,0,0]=4 2341 B14R0.2341 CCC(=O)NCCNC(=O)CC(C)CC 240690a_100132302217_100000708755 [0,2,0,0,0,0|2,0,0]=4 2342 B14R0.2341 CCC(=O)NCCNC(=O)CC(C)CC 527a_100132302217_100000708755 [0,2,0,0,0,0|2,0,0]=4 2343 B14R0.2341 CCC(=O)NCCNC(=O)CC(O)CC 1626a_100132302217_100011667805 [0,2,0,0,0,0|2,0,0]=4 2344 B14R0.2341 CCC(=O)NCCNC(=O)CC(O)CC 240690a_100132302217_100011667805 [0,2,0,0,0,0|2,0,0]=4 2345 B14R0.161 CCCOC(=O)OCC(=O)C=CC(C)C 1458a_100016268746_200000139673 [0,2,0,0,0,0|1,0,1]=4 2346 B14R0.39 CCNC(=O)CCCC(=O)CCC(C)C 1458a_100000199580_100000210312 [0,2,0,0,0,0|2,0,0]=4 2347 B14R0.39 CCNC(=O)CCCC(=O)CCC(C)O 1458a_100000199580_100012276601 [0,2,0,0,0,0|2,0,0]=4 2348 B14R0.39 CCNC(=O)CCNC(=O)CCC(C)C 11a_100025743525_100000181311 [0,2,0,0,0,0|2,0,0]=4 2349 B14R0.39 CCNC(=O)CCNC(=O)CCC(C)C 1626a_100025743525_100000181311 [0,2,0,0,0,0|2,0,0]=4 2350 B14R0.39 CCNC(=O)CCNC(=O)CCC(C)C 240690a_100025743525_100000181311 [0,2,0,0,0,0|2,0,0]=4 2351 B14R0.39 CCNC(=O)CCNC(=O)CCC(C)C 527a_100025743525_100000181311 [0,2,0,0,0,0|2,0,0]=4 2352 B14R0.39 CCNC(=O)CCNC(=O)CCC(C)O 1626a_100025743525_100000718519 [0,2,0,0,0,0|2,0,0]=4 2353 B14R0.39 CCOC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215271 [0,2,0,0,0,0|2,0,0]=4 2354 B14R0.39 CCOC(=O)CCCC(=O)CCC(C)C 1458a_100000210991_100000210312 [0,2,0,0,0,0|2,0,0]=4 2355 B14R0.39 CCOC(=O)CCCC(=O)CCC(C)O 1458a_100000210991_100012276601 [0,2,0,0,0,0|2,0,0]=4 2356 B14R0.39 CCOC(=O)CCNC(=O)CCC(C)C 188690a_100000746078_100000181311 [0,2,0,0,0,0|2,0,0]=4 2357 B14R0.39 CCOC(=O)CCNC(=O)CCC(C)O 188690a_100000746078_100000718519 [0,2,0,0,0,0|2,0,0]=4 2358 B14R0.93 CC/C=C\CCOC(CC)CCC(C)C 34a_100011216567_100015370543 [0,2,0,0,0,0|1,0,1]=4 2359 B14R0.93 CC/C=C\CCOC(CC)CCC(C)C 7a_100011216567_100015370543 [0,2,0,0,0,0|1,0,1]=4 2360 B14R0.138 CC/C=C\CCOC(=O)C(C)OC(C)C 34a_200020655201_100000210206 [0,2,0,0,0,0|1,0,0]=3 2361 B14R0.138 CC/C=C\CCOC(=O)C(C)OC(C)C 7a_200020655201_100000210206 [0,2,0,0,0,0|1,0,0]=3 2362 B14R0.140 CC/C=C\CCOC(C)CCC(C)CC 7a_200011216552_100015370543 [0,2,0,0,0,0|1,0,1]=4 2363 B14R0.511 CC/C=C\CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100015370543 [0,2,0,0,0,0|2,0,0]=4 2364 B14R0.1092 CC/C=C\CCOC(C)(C)CCC(C)C 34a_100016288707_200000037585 [0,2,0,0,0,0|1,0,1]=4 2365 B14R0.1092 CC/C=C\CCOC(C)(C)CCC(C)C 7a_200011218267_100015370543 [0,2,0,0,0,0|1,0,1]=4 2366 B14R0.154 CCCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000210183 [0,2,0,0,0,0|2,0,0]=4 2367 B14R0.207 CC/C=C(\C)/C(=O)COC(=O)OCCC 1458a_100016988807_200000139673 [0,2,0,0,0,0|1,0,1]=4 2368 B14R0.409 CCNC(=O)CCCC(=O)CC(C)CC 1458a_100000199580_100000748023 [0,2,0,0,0,0|2,0,0]=4 2369 B14R0.409 CCNC(=O)CCCC(=O)CC(O)CC 1458a_100000199580_100011218378 [0,2,0,0,0,0|2,0,0]=4 2370 B14R0.409 CCNC(=O)CCCC(=O)C[C@@H](C)CC 1458a_100000199580_100009816398 [0,2,0,0,0,0|2,0,0]=4 2371 B14R0.409 CCNC(=O)CCNC(=O)CC(C)CC 11a_100025743525_100000708755 [0,2,0,0,0,0|2,0,0]=4 2372 B14R0.409 CCNC(=O)CCNC(=O)CC(C)CC 1626a_100025743525_100000708755 [0,2,0,0,0,0|2,0,0]=4 2373 B14R0.409 CCNC(=O)CCNC(=O)CC(C)CC 240690a_100025743525_100000708755 [0,2,0,0,0,0|2,0,0]=4 2374 B14R0.409 CCNC(=O)CCNC(=O)CC(C)CC 527a_100025743525_100000708755 [0,2,0,0,0,0|2,0,0]=4 2375 B14R0.409 CCNC(=O)CCNC(=O)CC(O)CC 1626a_100025743525_100011667805 [0,2,0,0,0,0|2,0,0]=4 2376 B14R0.409 CCNC(=O)CCNC(=O)CC(O)CC 240690a_100025743525_100011667805 [0,2,0,0,0,0|2,0,0]=4 2377 B14R0.409 CCOC(=O)CCCC(=O)CC(C)CC 1458a_100000210991_100000748023 [0,2,0,0,0,0|2,0,0]=4 2378 B14R0.409 CCOC(=O)CCCC(=O)CC(C)CC 1458a_100000708755_100011215271 [0,2,0,0,0,0|2,0,0]=4 2379 B14R0.409 CCOC(=O)CCCC(=O)CC(O)CC 1458a_100000210991_100011218378 [0,2,0,0,0,0|2,0,0]=4 2380 B14R0.409 CCOC(=O)CCCC(=O)CC(O)CC 1458a_100011667805_100011215271 [0,2,0,0,0,0|2,0,0]=4 2381 B14R0.409 CCOC(=O)CCCC(=O)C[C@@H](C)CC 1458a_100000210991_100009816398 [0,2,0,0,0,0|2,0,0]=4 2382 B14R0.409 CCOC(=O)CCNC(=O)CC(C)CC 188690a_100000746078_100000708755 [0,2,0,0,0,0|2,0,0]=4 2383 B14R0.409 CCOC(=O)CCNC(=O)CC(O)CC 188690a_100000746078_100011667805 [0,2,0,0,0,0|2,0,0]=4 2384 B14R0.410 CCCC(C)C(=O)CCCC(=O)NCC 1458a_100000199580_100000766640 [0,2,0,0,0,0|2,0,0]=4 2385 B14R0.410 CCCC(C)C(=O)CCCC(=O)OCC 1458a_100000210906_100011215271 [0,2,0,0,0,0|2,0,0]=4 2386 B14R0.410 CCCC(C)C(=O)CCCC(=O)OCC 1458a_100000210991_100000766640 [0,2,0,0,0,0|2,0,0]=4 2387 B14R0.410 CCCC(C)C(=O)NCCC(=O)NCC 11a_100025743525_100000210906 [0,2,0,0,0,0|2,0,0]=4 2388 B14R0.410 CCCC(C)C(=O)NCCC(=O)NCC 1626a_100025743525_100000210906 [0,2,0,0,0,0|2,0,0]=4 2389 B14R0.410 CCCC(C)C(=O)NCCC(=O)NCC 240690a_100025743525_100000210906 [0,2,0,0,0,0|2,0,0]=4 2390 B14R0.410 CCCC(C)C(=O)NCCC(=O)NCC 527a_100025743525_100000210906 [0,2,0,0,0,0|2,0,0]=4 2391 B14R0.410 CCCC(C)C(=O)NCCC(=O)OCC 188690a_100000746078_100000210906 [0,2,0,0,0,0|2,0,0]=4 2392 B14R0.410 CCC[C@H](O)C(=O)CCCC(=O)OCC 1458a_100009822183_100011215271 [0,2,0,0,0,0|2,0,0]=4 2393 B14R0.410 CCC[C@H](O)C(=O)NCCC(=O)NCC 240690a_100025743525_100009822183 [0,2,0,0,0,0|2,0,0]=4 2394 B14R0.410 CCC[C@H](O)C(=O)NCCC(=O)OCC 188690a_100000746078_100009822183 [0,2,0,0,0,0|2,0,0]=4 2395 B14R0.597 CCCCC(=O)C(C)CCC(=O)OCC 1458a_100000210183_100000748298 [0,2,0,0,0,0|2,0,0]=4 2396 B14R0.597 CCCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000210183 [0,2,0,0,0,0|2,0,0]=4 2397 B14R0.597 CCCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000210183 [0,2,0,0,0,0|2,0,0]=4 2398 B14R0.597 CCCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000210183 [0,2,0,0,0,0|2,0,0]=4 2399 B14R0.597 CCCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000210183 [0,2,0,0,0,0|2,0,0]=4 2400 B14R0.2432 CCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210326 [0,2,0,0,0,0|2,0,0]=4 2401 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,2,0,0,0,0|2,0,0]=4 2402 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,2,0,0,0,0|2,0,0]=4 2403 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000212188 [0,2,0,0,0,0|2,0,0]=4 2404 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000212188 [0,2,0,0,0,0|2,0,0]=4 2405 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000212188 [0,2,0,0,0,0|2,0,0]=4 2406 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000212188 [0,2,0,0,0,0|2,0,0]=4 2407 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000212188 [0,2,0,0,0,0|2,0,0]=4 2408 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 11a_100000102301_100000199580 [0,2,0,0,0,0|2,0,0]=4 2409 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 1626a_100000102301_100000199580 [0,2,0,0,0,0|2,0,0]=4 2410 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 240690a_100000102301_100000199580 [0,2,0,0,0,0|2,0,0]=4 2411 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 527a_100000102301_100000199580 [0,2,0,0,0,0|2,0,0]=4 2412 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 11a_100000102301_100000210991 [0,2,0,0,0,0|2,0,0]=4 2413 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 1626a_100000102301_100000210991 [0,2,0,0,0,0|2,0,0]=4 2414 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 240690a_100000102301_100000210991 [0,2,0,0,0,0|2,0,0]=4 2415 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 527a_100000102301_100000210991 [0,2,0,0,0,0|2,0,0]=4 2416 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 2708a_100000102301_100025743525 [0,2,0,0,0,0|2,0,0]=4 2417 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 273464a_100000102301_100025743525 [0,2,0,0,0,0|2,0,0]=4 2418 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100000102301 [0,2,0,0,0,0|2,0,0]=4 2419 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 512a_100000102301_100025743525 [0,2,0,0,0,0|2,0,0]=4 2420 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 512a_100025743525_100000102301 [0,2,0,0,0,0|2,0,0]=4 2421 B14R0.2432 CCCOCC(=O)CCCC(=O)OCC 1458a_100000745993_100011215271 [0,2,0,0,0,0|2,0,0]=4 2422 B14R0.2432 CCCOCC(=O)NCCC(=O)NCC 11a_100025743525_100000745993 [0,2,0,0,0,0|2,0,0]=4 2423 B14R0.2432 CCCOCC(=O)NCCC(=O)NCC 1626a_100025743525_100000745993 [0,2,0,0,0,0|2,0,0]=4 2424 B14R0.2432 CCCOCC(=O)NCCC(=O)NCC 240690a_100025743525_100000745993 [0,2,0,0,0,0|2,0,0]=4 2425 B14R0.2432 CCCOCC(=O)NCCC(=O)NCC 527a_100025743525_100000745993 [0,2,0,0,0,0|2,0,0]=4 2426 B14R0.2432 CCCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000745993 [0,2,0,0,0,0|2,0,0]=4 2427 B14R0.2432 CCCSCC(=O)CCCC(=O)OCC 1458a_100000217233_100011215271 [0,2,0,0,0,0|2,0,0]=4 2428 B14R0.2432 CCCSCC(=O)NCCC(=O)NCC 11a_100025743525_100000217233 [0,2,0,0,0,0|2,0,0]=4 2429 B14R0.2432 CCCSCC(=O)NCCC(=O)NCC 1626a_100025743525_100000217233 [0,2,0,0,0,0|2,0,0]=4 2430 B14R0.2432 CCCSCC(=O)NCCC(=O)NCC 240690a_100025743525_100000217233 [0,2,0,0,0,0|2,0,0]=4 2431 B14R0.2432 CCCSCC(=O)NCCC(=O)NCC 527a_100025743525_100000217233 [0,2,0,0,0,0|2,0,0]=4 2432 B14R0.2432 CCCSCC(=O)NCCC(=O)OCC 188690a_100000746078_100000217233 [0,2,0,0,0,0|2,0,0]=4 2433 B14R0.2432 CCNC(=O)CCCC(=O)CCCCF 1458a_100000199580_100000729493 [0,2,0,0,0,0|2,0,0]=4 2434 B14R0.2432 CCNC(=O)CCCC(=O)CCCCO 1458a_100000199580_100000210776 [0,2,0,0,0,0|2,0,0]=4 2435 B14R0.2432 CCNC(=O)CCCC(=O)CCCOC 1458a_100000199580_100000740836 [0,2,0,0,0,0|2,0,0]=4 2436 B14R0.2432 CCNC(=O)CCCC(=O)CCOCC 1458a_100000199580_100011215890 [0,2,0,0,0,0|2,0,0]=4 2437 B14R0.2432 CCNC(=O)CCCC(=O)CCSCC 1458a_100000199580_100000757381 [0,2,0,0,0,0|2,0,0]=4 2438 B14R0.2432 CCNC(=O)CCNC(=O)CCCCO 1626a_100025743525_100000695505 [0,2,0,0,0,0|2,0,0]=4 2439 B14R0.2432 CCNC(=O)CCNC(=O)CCCOC 11a_100025743525_100000741012 [0,2,0,0,0,0|2,0,0]=4 2440 B14R0.2432 CCNC(=O)CCNC(=O)CCCOC 1626a_100025743525_100000741012 [0,2,0,0,0,0|2,0,0]=4 2441 B14R0.2432 CCNC(=O)CCNC(=O)CCCOC 240690a_100025743525_100000741012 [0,2,0,0,0,0|2,0,0]=4 2442 B14R0.2432 CCNC(=O)CCNC(=O)CCCOC 527a_100025743525_100000741012 [0,2,0,0,0,0|2,0,0]=4 2443 B14R0.2432 CCNC(=O)CCNC(=O)CCCSC 11a_100025743525_100000173376 [0,2,0,0,0,0|2,0,0]=4 2444 B14R0.2432 CCNC(=O)CCNC(=O)CCCSC 1626a_100025743525_100000173376 [0,2,0,0,0,0|2,0,0]=4 2445 B14R0.2432 CCNC(=O)CCNC(=O)CCCSC 240690a_100025743525_100000173376 [0,2,0,0,0,0|2,0,0]=4 2446 B14R0.2432 CCNC(=O)CCNC(=O)CCCSC 527a_100025743525_100000173376 [0,2,0,0,0,0|2,0,0]=4 2447 B14R0.2432 CCNC(=O)CCNC(=O)CCOCC 11a_100025743525_100000749530 [0,2,0,0,0,0|2,0,0]=4 2448 B14R0.2432 CCNC(=O)CCNC(=O)CCOCC 1626a_100025743525_100000749530 [0,2,0,0,0,0|2,0,0]=4 2449 B14R0.2432 CCNC(=O)CCNC(=O)CCOCC 240690a_100025743525_100000749530 [0,2,0,0,0,0|2,0,0]=4 2450 B14R0.2432 CCNC(=O)CCNC(=O)CCOCC 527a_100025743525_100000749530 [0,2,0,0,0,0|2,0,0]=4 2451 B14R0.2432 CCNC(=O)CCNC(=O)CCSCC 11a_100025743525_100000230768 [0,2,0,0,0,0|2,0,0]=4 2452 B14R0.2432 CCNC(=O)CCNC(=O)CCSCC 1626a_100025743525_100000230768 [0,2,0,0,0,0|2,0,0]=4 2453 B14R0.2432 CCNC(=O)CCNC(=O)CCSCC 240690a_100025743525_100000230768 [0,2,0,0,0,0|2,0,0]=4 2454 B14R0.2432 CCNC(=O)CCNC(=O)CCSCC 527a_100025743525_100000230768 [0,2,0,0,0,0|2,0,0]=4 2455 B14R0.2432 CCOC(=O)CCCC(=O)CCCCF 1458a_100000210991_100000729493 [0,2,0,0,0,0|2,0,0]=4 2456 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000210991_100000210776 [0,2,0,0,0,0|2,0,0]=4 2457 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215271 [0,2,0,0,0,0|2,0,0]=4 2458 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000210991_100000740836 [0,2,0,0,0,0|2,0,0]=4 2459 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000741012_100011215271 [0,2,0,0,0,0|2,0,0]=4 2460 B14R0.2432 CCOC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011215271 [0,2,0,0,0,0|2,0,0]=4 2461 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000210991_100000757381 [0,2,0,0,0,0|2,0,0]=4 2462 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000230768_100011215271 [0,2,0,0,0,0|2,0,0]=4 2463 B14R0.2432 CCOC(=O)CCNC(=O)CCCCO 188690a_100000746078_100000695505 [0,2,0,0,0,0|2,0,0]=4 2464 B14R0.2432 CCOC(=O)CCNC(=O)CCCOC 188690a_100000746078_100000741012 [0,2,0,0,0,0|2,0,0]=4 2465 B14R0.2432 CCOC(=O)CCNC(=O)CCCSC 188690a_100000746078_100000173376 [0,2,0,0,0,0|2,0,0]=4 2466 B14R0.2432 CCOC(=O)CCNC(=O)CCSCC 188690a_100000746078_100000230768 [0,2,0,0,0,0|2,0,0]=4 2467 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215890 [0,2,0,0,0,0|2,0,0]=4 2468 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000749530_100011215271 [0,2,0,0,0,0|2,0,0]=4 2469 B14R0.2432 CCOCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000749530 [0,2,0,0,0,0|2,0,0]=4 2470 B14R0.1444 CC/C=C/CC(=O)CC(=O)CCCCC 1458a_100016274230_200012276598 [0,2,0,0,0,0|1,0,1]=4 2471 B14R0.1444 CC/C=C/CC(=O)CC(=O)NCCCC 1458a_100016274230_100000182744 [0,2,0,0,0,0|1,0,1]=4 2472 B14R0.1444 CC/C=C/CC(=O)CC(=O)OCCCC 1458a_100016274230_100000211628 [0,2,0,0,0,0|1,0,1]=4 2473 B14R0.1444 CC/C=C\CN(C)CC(=O)NCCCC 2230a_200000213093_100103147603 [0,2,0,0,0,0|2,0,0]=4 2474 B14R0.1444 CC/C=C\CN(C)CC(=O)NCCCC 269982a_200000213093_100103147603 [0,2,0,0,0,0|2,0,0]=4 2475 B14R0.1444 CCCCCC(C)OC(=O)COCCC 34a_100000210258_200000092394 [0,2,0,0,0,0|0,0,2]=4 2476 B14R0.1444 CCCCCC(C)OC(=O)CSCCC 62a_100000210303_200000092394 [0,2,0,0,0,0|0,0,2]=4 2477 B14R0.1444 CCCCCC(C)OC(=O)CSCCC 62a_200000092394_100000210303 [0,2,0,0,0,0|0,0,2]=4 2478 B14R0.86 C#CC(CCCCC)OCC/C=C\CC 34a_100011216489_100015370543 [0,2,0,0,0,0|1,0,1]=4 2479 B14R0.86 C#CC(CCCCC)OCC/C=C\CC 7a_100011216489_100015370543 [0,2,0,0,0,0|1,0,1]=4 2480 B14R0.86 C=CC(CCCCC)OCC/C=C\CC 34a_100011216863_100015370543 [0,2,0,0,0,0|1,0,1]=4 2481 B14R0.86 C=CC(CCCCC)OCC/C=C\CC 7a_100011216863_100015370543 [0,2,0,0,0,0|1,0,1]=4 2482 B14R0.86 CC/C=C\CCOC(CC)CCCCC 34a_100011215405_100015370543 [0,2,0,0,0,0|1,0,1]=4 2483 B14R0.86 CC/C=C\CCOC(CC)CCCCC 7a_100011215405_100015370543 [0,2,0,0,0,0|1,0,1]=4 2484 B14R0.87 C=CCC(CCCC)OCC/C=C\CC 34a_200011216941_100015370543 [0,2,0,0,0,0|1,0,1]=4 2485 B14R0.87 C=CCC(CCCC)OCC/C=C\CC 7a_200011216941_100015370543 [0,2,0,0,0,0|1,0,1]=4 2486 B14R0.87 CC/C=C\CCOC(CCC)CCCC 34a_100011215800_100015370543 [0,2,0,0,0,0|1,0,1]=4 2487 B14R0.87 CC/C=C\CCOC(CCC)CCCC 34a_100016288707_100000211913 [0,2,0,0,0,0|1,0,1]=4 2488 B14R0.87 CC/C=C\CCOC(CCC)CCCC 7a_100011215800_100015370543 [0,2,0,0,0,0|1,0,1]=4 2489 B14R0.87 CC/C=C\CCOC(CCC)CCCC 7a_100016288707_100000211913 [0,2,0,0,0,0|1,0,1]=4 2490 B14R0.95 CC/C=C\CCOC(CC)CC(C)CC 7a_200011216566_100015370543 [0,2,0,0,0,0|1,0,1]=4 2491 B14R0.333 CC/C=C\CCN[C@@H](CCCC)C(=O)N 2230a_100000124899_100015370543 [0,2,0,0,0,0|1,0,1]=4 2492 B14R0.333 CC/C=C\CCN[C@@H](CCCC)C(=O)N 34a_100000124899_100015370543 [0,2,0,0,0,0|1,0,1]=4 2493 B14R0.333 CC/C=C\CCOC(CCCC)C(=O)N 34a_100016288707_100000748834 [0,2,0,0,0,0|0,0,1]=3 2494 B14R0.333 CC/C=C\CCOC(CCCC)C(=O)N 7a_100016288707_100000748834 [0,2,0,0,0,0|0,0,1]=3 2495 B14R0.333 CC/C=C\CCSC(CCCC)C(=O)N 62a_100000748834_100015370543 [0,2,0,0,0,0|0,1,1]=4 2496 B14R0.333 CC/C=C\CCSC(CCCC)C(=O)N 62a_100015370543_100000748834 [0,2,0,0,0,0|0,1,1]=4 2497 B14R0.486 C#CC(OCC/C=C\CC)C(C)CCC 34a_200011216176_100015370543 [0,2,0,0,0,0|1,0,1]=4 2498 B14R0.486 C#CC(OCC/C=C\CC)C(C)CCC 7a_200011216176_100015370543 [0,2,0,0,0,0|1,0,1]=4 2499 B14R0.486 CC/C=C\CCOC(CC)C(C)CCC 34a_200011218412_100015370543 [0,2,0,0,0,0|1,0,1]=4 2500 B14R0.486 CC/C=C\CCOC(CC)C(C)CCC 7a_200011218412_100015370543 [0,2,0,0,0,0|1,0,1]=4 2501 B14R0.3580 CC/C=C\CCOC(C)(CC)CCCC 7a_200011218725_100015370543 [0,2,0,0,0,0|1,0,1]=4 2502 B14R0.143 CC/C=C\CCOC(C)C(C)C(C)CC 7a_200011290770_100015370543 [0,2,0,0,0,0|1,0,1]=4 2503 B14R0.341 CC/C=C\CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100015370543 [0,2,0,0,0,0|2,0,0]=4 2504 B14R0.1821 CC/C=C\CCOC(C)(C)C(C)CCC 7a_200011218223_100015370543 [0,2,0,0,0,0|1,0,1]=4 2505 B14R0.2 CC/C=C\CCOC(C)CCCC(C)C 34a_200011218570_100015370543 [0,2,0,0,0,0|1,0,1]=4 2506 B14R0.2 CC/C=C\CCOC(C)CCCC(C)C 7a_200011218570_100015370543 [0,2,0,0,0,0|1,0,1]=4 2507 B14R0.145 CC/C=C\CCOC(C)CCCCCC 34a_100000210265_100015370543 [0,2,0,0,0,0|1,0,1]=4 2508 B14R0.145 CC/C=C\CCOC(C)CCCCCC 34a_100016288707_100011215978 [0,2,0,0,0,0|1,0,1]=4 2509 B14R0.145 CC/C=C\CCOC(C)CCCCCC 7a_100000210265_100015370543 [0,2,0,0,0,0|1,0,1]=4 2510 B14R0.145 CC/C=C\CCOC(C)CCCCCC 7a_100016288707_100011215978 [0,2,0,0,0,0|1,0,1]=4 2511 B14R0.145 CC/C=C\CCOC(C)COCCCC 34a_100011217071_100015370543 [0,2,0,0,0,0|1,0,1]=4 2512 B14R0.145 CC/C=C\CCOC(C)COCCCC 7a_100011217071_100015370543 [0,2,0,0,0,0|1,0,1]=4 2513 B14R0.145 CC/C=C\COCC(=O)NCCCCC 34a_100016268518_100000230301 [0,2,0,0,0,0|2,0,0]=4 2514 B14R0.145 CC/C=C\COCC(=O)NCCCOC 34a_100016268518_100000183178 [0,2,0,0,0,0|2,0,0]=4 2515 B14R0.145 CC/C=C\COCC(=O)OCCOCC 34a_100016268518_200000101388 [0,2,0,0,0,0|2,0,0]=4 2516 B14R0.145 CC/C=C\CSCC(=O)NCCCCC 62a_100000230301_100103147603 [0,2,0,0,0,0|2,0,0]=4 2517 B14R0.145 CC/C=C\CSCC(=O)NCCCCC 62a_100103147603_100000230301 [0,2,0,0,0,0|2,0,0]=4 2518 B14R0.145 CC/C=C\CSCC(=O)NCCCOC 62a_100000183178_100103147603 [0,2,0,0,0,0|2,0,0]=4 2519 B14R0.145 CC/C=C\CSCC(=O)OCCOCC 62a_100103147603_200000101388 [0,2,0,0,0,0|2,0,0]=4 2520 B14R0.145 CC/C=C\CSCC(=O)OCCOCC 62a_200000101388_100103147603 [0,2,0,0,0,0|2,0,0]=4 2521 B14R0.2256 CC/C=C\COC(C)C(=O)NCCCC 34a_100016268518_100000735917 [0,2,0,0,0,0|2,0,0]=4 2522 B14R0.2256 CC/C=C\COC(C)C(=O)OCCCC 34a_100000038973_100103147603 [0,2,0,0,0,0|2,0,0]=4 2523 B14R0.2256 CC/C=C\COC(C)C(=O)OCCCC 34a_100016268518_100000759602 [0,2,0,0,0,0|2,0,0]=4 2524 B14R0.2256 CC/C=C\COC(C)C(=O)OCCCC 7a_100000038973_100103147603 [0,2,0,0,0,0|2,0,0]=4 2525 B14R0.2256 CC/C=C\CSC(C)C(=O)NCCCC 62a_100000735917_100103147603 [0,2,0,0,0,0|2,0,0]=4 2526 B14R0.2256 CC/C=C\CSC(C)C(=O)NCCCC 62a_100103147603_100000735917 [0,2,0,0,0,0|2,0,0]=4 2527 B14R0.2256 CC/C=C\CSC(C)C(=O)OCCCC 62a_100000759602_100103147603 [0,2,0,0,0,0|2,0,0]=4 2528 B14R0.2256 CC/C=C\CSC(C)C(=O)OCCCC 62a_100103147603_100000759602 [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.8 CCCCCOC1CC=CCC1 34a_100000073881_100000718602 [1,0,0,1,0,0|0,0,1]=3 2530 B12R1.8 CCCCNCC1CC=CCC1 270004a_100000102301_100000189434 [1,0,0,1,0,0|2,0,0]=4 2531 B12R1.8 CCCCOCC1CC=CCC1 34a_100000210713_100000210210 [1,0,0,1,0,0|2,0,0]=4 2532 B12R1.8 CCOCCOC1CC=CCC1 34a_100000073881_100000210147 [1,0,0,1,0,0|1,0,1]=4 2533 B12R1.8 CCSCCOC1CC=CCC1 34a_100000073881_100000757381 [1,0,0,1,0,0|1,0,1]=4 2534 B12R1.8 COCCCOC1CC=CCC1 34a_100000073881_100000740836 [1,0,0,1,0,0|1,0,1]=4 2535 B12R1.8 FCCCCOC1CC=CCC1 34a_100000073881_100000729493 [1,0,0,1,0,0|1,0,1]=4 2536 B12R1.8 OCCCCOC1CC=CCC1 34a_100000073881_100011216708 [1,0,0,1,0,0|1,0,1]=4 2537 B12R1.37 CC/C=C\CCNC1CCCC1 2230a_100000211070_100015370543 [1,0,0,1,0,0|1,0,1]=4 2538 B12R1.37 CC/C=C\CCNC1CCCC1 34a_100000211070_100015370543 [1,0,0,1,0,0|1,0,1]=4 2539 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100000210269_100015370543 [1,0,0,1,0,0|0,0,1]=3 2540 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100016288707_100000179811 [1,0,0,1,0,0|0,0,1]=3 2541 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100000210269_100015370543 [1,0,0,1,0,0|0,0,1]=3 2542 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100016288707_100000179811 [1,0,0,1,0,0|0,0,1]=3 2543 B12R1.37 CC/C=C\CCOC1CCCO1 34a_100000085407_100015370543 [1,0,0,1,0,0|1,0,1]=4 2544 B12R1.37 CC/C=C\CCOC1CCOC1 34a_100016288707_100000690089 [1,0,0,1,0,0|1,0,1]=4 2545 B12R1.37 CC/C=C\CCOC1CCOC1 7a_100016288707_100000731011 [1,0,0,1,0,0|1,0,1]=4 2546 B12R1.37 CC/C=C\CCOC1CCSC1 7a_100011232664_100015370543 [1,0,0,1,0,0|1,0,1]=4 2547 B12R1.37 CC/C=C\CCO[C@H]1CCOC1 34a_100000717292_100015370543 [1,0,0,1,0,0|1,0,1]=4 2548 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100011217020_100015370543 [1,0,0,1,0,0|0,1,1]=4 2549 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100015370543_100000179811 [1,0,0,1,0,0|0,1,1]=4 2550 B12R1.271 CC/C=C\CCOCC1CC1C 34a_100000744939_100015370543 [1,0,0,1,0,0|0,0,1]=3 2551 B12R1.271 CC/C=C\CCOCC1CC1C 7a_100000744939_100015370543 [1,0,0,1,0,0|0,0,1]=3 2552 B12R1.272 CC/C=C/CCCOC1CCC1 34a_100016287902_100000749161 [1,0,0,1,0,0|2,0,0]=4 2553 B12R1.272 CC/C=C\CCNCC1CCC1 2230a_100000738700_100015370543 [1,0,0,1,0,0|1,0,1]=4 2554 B12R1.272 CC/C=C\CCNCC1CCC1 34a_100000738700_100015370543 [1,0,0,1,0,0|1,0,1]=4 2555 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100000760304_100015370543 [1,0,0,1,0,0|0,0,1]=3 2556 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100016288707_100000763275 [1,0,0,1,0,0|0,0,1]=3 2557 B12R1.272 CC/C=C\CCOCC1CCC1 7a_100016288707_100000763275 [1,0,0,1,0,0|0,0,1]=3 2558 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100000039022_100015370543 [1,0,0,1,0,0|1,0,1]=4 2559 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100016288707_100000103362 [1,0,0,1,0,0|1,0,1]=4 2560 B12R1.272 CC/C=C\CCOCC1CCO1 7a_100016288707_100000103362 [1,0,0,1,0,0|1,0,1]=4 2561 B12R1.272 CC/C=C\CCOCC1CNC1 34a_100016987283_100015370543 [1,0,0,1,0,0|1,0,1]=4 2562 B12R1.272 CC/C=C\CCOCC1COC1 34a_100000060846_100015370543 [1,0,0,1,0,0|1,0,1]=4 2563 B12R1.272 CC/C=C\CCOCC1COC1 34a_100016288707_100010264016 [1,0,0,1,0,0|1,0,1]=4 2564 B12R1.272 CC/C=C\CCOCC1COC1 7a_100016288707_100010264016 [1,0,0,1,0,0|1,0,1]=4 2565 B12R1.272 CC/C=C\CCSCC1CCC1 62a_100000763275_100015370543 [1,0,0,1,0,0|0,1,1]=4 2566 B12R1.272 CC/C=C\CCSCC1CCC1 62a_100015370543_100000763275 [1,0,0,1,0,0|0,1,1]=4 2567 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 2230a_100020605311_100015370543 [1,0,0,1,0,0|1,0,1]=4 2568 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 269982a_100020605311_100015370543 [1,0,0,1,0,0|1,0,1]=4 2569 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 2230a_100015189458_100015370543 [1,0,0,1,0,0|1,0,1]=4 2570 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 269982a_100015189458_100015370543 [1,0,0,1,0,0|1,0,1]=4 2571 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 34a_100015189458_100015370543 [1,0,0,1,0,0|1,0,1]=4 2572 B12R1.375 CC/C=C/CCCOCC1CC1 34a_100016287902_100000742324 [1,0,0,1,0,0|2,0,0]=4 2573 B12R1.375 CC/C=C/CCCOCC1CC1 7a_100016287902_100000742324 [1,0,0,1,0,0|2,0,0]=4 2574 B12R1.375 CC/C=C\CCNCCC1CC1 34a_100000764129_100015370543 [1,0,0,1,0,0|1,0,1]=4 2575 B12R1.375 CC/C=C\CCOCCC1CC1 34a_100000754188_100015370543 [1,0,0,1,0,0|0,0,1]=3 2576 B12R1.375 CC/C=C\CCOCCC1CC1 34a_100016288707_100000694398 [1,0,0,1,0,0|0,0,1]=3 2577 B12R1.375 CC/C=C\CCOCCC1CC1 7a_100000754188_100015370543 [1,0,0,1,0,0|0,0,1]=3 2578 B12R1.375 CC/C=C\CCOCCC1CC1 7a_100016288707_100000764125 [1,0,0,1,0,0|0,0,1]=3 2579 B12R1.375 CC/C=C\CCOCCC1CO1 34a_100016288707_100000732470 [1,0,0,1,0,0|1,0,1]=4 2580 B12R1.375 CC/C=C\CCOCCC1CO1 7a_100016288707_100000732470 [1,0,0,1,0,0|1,0,1]=4 2581 B12R1.375 CC/C=C\CCOCC[C@@H]1CO1 34a_100009820653_100015370543 [1,0,0,1,0,0|1,0,1]=4 2582 B12R1.375 CC/C=C\CCSCCC1CC1 62a_100000764125_100015370543 [1,0,0,1,0,0|0,1,1]=4 2583 B12R1.375 CC/C=C\CCSCCC1CC1 62a_100015370543_100000764125 [1,0,0,1,0,0|0,1,1]=4 2584 B12R1.32 CCCC(=O)CN1CC=CCC1 2230a_100000698166_100000747444 [1,0,0,1,0,0|2,0,0]=4 2585 B12R1.32 CCCC(=O)CN1CC=CCC1 269982a_100000698166_100000747444 [1,0,0,1,0,0|2,0,0]=4 2586 B12R1.32 CCCC(C)OC1CC=CCC1 34a_100000073881_100000766640 [1,0,0,1,0,0|1,0,1]=4 2587 B12R1.923 CC/C=C\CCOC(C)C1CC1 34a_100000744524_100015370543 [1,0,0,1,0,0|1,0,1]=4 2588 B12R1.923 CC/C=C\CCOC(C)C1CC1 7a_100000744524_100015370543 [1,0,0,1,0,0|1,0,1]=4 2589 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100000686663_100103147603 [1,0,0,1,0,0|2,0,0]=4 2590 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100016268518_100000746382 [1,0,0,1,0,0|2,0,0]=4 2591 B12R1.923 CC/C=C\CSCC(=O)C1CC1 62a_100000746382_100103147603 [1,0,0,1,0,0|2,0,0]=4 2592 B12R1.923 CC/C=C\CSCC(=O)C1CC1 62a_100103147603_100000746382 [1,0,0,1,0,0|2,0,0]=4 2593 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [1,0,0,1,0,0|1,0,0]=3 2594 B12R1.1564 CCNC(=O)C1CCC=CCC1 11a_100015525214_100000048548 [1,0,0,1,0,0|2,0,0]=4 2595 B12R1.1564 CCNC(=O)C1CCC=CCC1 240690a_100015525214_100000048548 [1,0,0,1,0,0|2,0,0]=4 2596 B12R1.1564 CCNC(=O)C1CCC=CCC1 527a_100015525214_100000048548 [1,0,0,1,0,0|2,0,0]=4 2597 B12R1.1564 O=C(CCF)C1CCC=CCC1 1458a_100000048548_100011217306 [1,0,0,1,0,0|2,0,0]=4 2598 B12R1.1564 O=C(CCO)C1CCC=CCC1 1458a_100000048548_100000211926 [1,0,0,1,0,0|2,0,0]=4 2599 B12R1.1996 CC/C=C\CCOC1(CCC1)C 34a_100000759064_100015370543 [1,0,0,1,0,0|1,0,1]=4 2600 B12R1.1996 CC/C=C\CCOC1(CCC1)C 7a_100000759064_100015370543 [1,0,0,1,0,0|1,0,1]=4 2601 B12R1.7 CC/C=C\CCN1CC[C@H](C1)C 2230a_100016987628_100015370543 [1,0,0,1,0,0|2,0,0]=4 2602 B12R1.7 CC/C=C\CCN1CC[C@H](C1)C 269982a_100016987628_100015370543 [1,0,0,1,0,0|2,0,0]=4 2603 B12R1.7 CC/C=C\CCN1CC[C@H](C1)C 34a_100016987628_100015370543 [1,0,0,1,0,0|2,0,0]=4 2604 B12R1.7 CC/C=C\COC1CCC(C1)C 34a_100000698185_100103147603 [1,0,0,1,0,0|1,0,1]=4 2605 B12R1.30 C#CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000753159 [1,0,0,1,0,0|0,0,2]=4 2606 B12R1.30 C/C=C/CC(=O)[C@H]1CC=CCC1 1458a_100009820709_100102629194 [1,0,0,1,0,0|0,0,2]=4 2607 B12R1.30 C=CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000754431 [1,0,0,1,0,0|0,0,2]=4 2608 B12R1.30 CC#CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000748600 [1,0,0,1,0,0|0,0,2]=4 2609 B12R1.30 CC=CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000070051 [1,0,0,1,0,0|0,0,2]=4 2610 B12R1.30 CCCCC(=O)C1C=CCCC1 1458a_100000210183_100000751183 [1,0,0,1,0,0|0,0,2]=4 2611 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [1,0,0,1,0,0|0,0,2]=4 2612 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [1,0,0,1,0,0|0,0,2]=4 2613 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000210183_100000693364 [1,0,0,1,0,0|1,0,1]=4 2614 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000741522_100000210211 [1,0,0,1,0,0|1,0,1]=4 2615 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000195482_100000210211 [1,0,0,1,0,0|1,0,1]=4 2616 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000210183_100011324220 [1,0,0,1,0,0|1,0,1]=4 2617 B12R1.30 CCCCC(=O)C1CCSCC1 1458a_100000755232_100000210211 [1,0,0,1,0,0|1,0,1]=4 2618 B12R1.30 CCCCC(=O)N1CC=CCC1 11a_100000698166_100000210183 [1,0,0,1,0,0|1,0,0]=3 2619 B12R1.30 CCCCC(=O)N1CC=CCC1 1626a_100000698166_100000210183 [1,0,0,1,0,0|1,0,0]=3 2620 B12R1.30 CCCCC(=O)N1CC=CCC1 240690a_100000698166_100000210183 [1,0,0,1,0,0|1,0,0]=3 2621 B12R1.30 CCCCC(=O)N1CC=CCC1 527a_100000698166_100000210183 [1,0,0,1,0,0|1,0,0]=3 2622 B12R1.30 CCCCC(=O)N1CCOCC1 11a_100015191051_100000210183 [1,0,0,1,0,0|2,0,0]=4 2623 B12R1.30 CCCCC(=O)N1CCOCC1 1626a_100015191051_100000210183 [1,0,0,1,0,0|2,0,0]=4 2624 B12R1.30 CCCCC(=O)N1CCOCC1 240690a_100015191051_100000210183 [1,0,0,1,0,0|2,0,0]=4 2625 B12R1.30 CCCCC(=O)N1CCOCC1 527a_100015191051_100000210183 [1,0,0,1,0,0|2,0,0]=4 2626 B12R1.30 CCCCC(=O)N1CCSCC1 11a_100000737611_100000210183 [1,0,0,1,0,0|2,0,0]=4 2627 B12R1.30 CCCCC(=O)N1CCSCC1 240690a_100000737611_100000210183 [1,0,0,1,0,0|2,0,0]=4 2628 B12R1.30 CCCCC(=O)N1CCSCC1 527a_100000737611_100000210183 [1,0,0,1,0,0|2,0,0]=4 2629 B12R1.30 CCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210211 [1,0,0,1,0,0|0,0,0]=2 2630 B12R1.30 CCCNC(=O)N1CC=CCC1 2708a_100020643023_100000698166 [1,0,0,1,0,0|2,0,0]=4 2631 B12R1.30 CCCNC(=O)N1CC=CCC1 273464a_100020643023_100000698166 [1,0,0,1,0,0|2,0,0]=4 2632 B12R1.30 CCCNC(=O)[C@H]1CC=CCC1 11a_100020643023_100009820709 [1,0,0,1,0,0|1,0,0]=3 2633 B12R1.30 CCCNC(=O)[C@H]1CC=CCC1 1626a_100020643023_100009820709 [1,0,0,1,0,0|1,0,0]=3 2634 B12R1.30 CCCNC(=O)[C@H]1CC=CCC1 240690a_100020643023_100009820709 [1,0,0,1,0,0|1,0,0]=3 2635 B12R1.30 CCCNC(=O)[C@H]1CC=CCC1 527a_100020643023_100009820709 [1,0,0,1,0,0|1,0,0]=3 2636 B12R1.30 CCNNC(=O)[C@H]1CC=CCC1 22a_100000756455_100009820709 [1,0,0,1,0,0|2,0,0]=4 2637 B12R1.30 CCOCC(=O)N1CC=CCC1 11a_100000698166_100000211967 [1,0,0,1,0,0|2,0,0]=4 2638 B12R1.30 CCOCC(=O)N1CC=CCC1 1626a_100000698166_100000211967 [1,0,0,1,0,0|2,0,0]=4 2639 B12R1.30 CCOCC(=O)N1CC=CCC1 240690a_100000698166_100000211967 [1,0,0,1,0,0|2,0,0]=4 2640 B12R1.30 CCOCC(=O)N1CC=CCC1 527a_100000698166_100000211967 [1,0,0,1,0,0|2,0,0]=4 2641 B12R1.30 CCSCC(=O)N1CC=CCC1 11a_100000698166_100000230394 [1,0,0,1,0,0|2,0,0]=4 2642 B12R1.30 CCSCC(=O)N1CC=CCC1 1626a_100000698166_100000230394 [1,0,0,1,0,0|2,0,0]=4 2643 B12R1.30 CCSCC(=O)N1CC=CCC1 240690a_100000698166_100000230394 [1,0,0,1,0,0|2,0,0]=4 2644 B12R1.30 CCSCC(=O)N1CC=CCC1 527a_100000698166_100000230394 [1,0,0,1,0,0|2,0,0]=4 2645 B12R1.30 COCCC(=O)N1CC=CCC1 11a_100000698166_100000749529 [1,0,0,1,0,0|2,0,0]=4 2646 B12R1.30 COCCC(=O)N1CC=CCC1 1626a_100000698166_100000749529 [1,0,0,1,0,0|2,0,0]=4 2647 B12R1.30 COCCC(=O)N1CC=CCC1 240690a_100000698166_100000749529 [1,0,0,1,0,0|2,0,0]=4 2648 B12R1.30 COCCC(=O)N1CC=CCC1 527a_100000698166_100000749529 [1,0,0,1,0,0|2,0,0]=4 2649 B12R1.30 COCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000233755 [1,0,0,1,0,0|1,0,0]=3 2650 B12R1.30 CSCCC(=O)N1CC=CCC1 11a_100000698166_100000174002 [1,0,0,1,0,0|2,0,0]=4 2651 B12R1.30 CSCCC(=O)N1CC=CCC1 1626a_100000698166_100000174002 [1,0,0,1,0,0|2,0,0]=4 2652 B12R1.30 CSCCC(=O)N1CC=CCC1 240690a_100000698166_100000174002 [1,0,0,1,0,0|2,0,0]=4 2653 B12R1.30 CSCCC(=O)N1CC=CCC1 527a_100000698166_100000174002 [1,0,0,1,0,0|2,0,0]=4 2654 B12R1.30 CSCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000751147 [1,0,0,1,0,0|1,0,0]=3 2655 B12R1.30 N#CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100011215226 [1,0,0,1,0,0|1,0,1]=4 2656 B12R1.30 O=C(CCCF)[C@H]1CC=CCC1 1458a_100009820709_100011934791 [1,0,0,1,0,0|1,0,0]=3 2657 B12R1.30 O=C(CCCO)[C@H]1CC=CCC1 1458a_100009820709_100011215043 [1,0,0,1,0,0|1,0,0]=3 2658 B12R1.30 O=C(NCCF)[C@H]1CC=CCC1 11a_100000724931_100009820709 [1,0,0,1,0,0|2,0,0]=4 2659 B12R1.30 O=C(NCCF)[C@H]1CC=CCC1 1626a_100000724931_100009820709 [1,0,0,1,0,0|2,0,0]=4 2660 B12R1.30 O=C(NCCF)[C@H]1CC=CCC1 240690a_100000724931_100009820709 [1,0,0,1,0,0|2,0,0]=4 2661 B12R1.30 O=C(NCCF)[C@H]1CC=CCC1 527a_100000724931_100009820709 [1,0,0,1,0,0|2,0,0]=4 2662 B12R1.30 O=C(NCCO)[C@H]1CC=CCC1 240690a_100000210304_100009820709 [1,0,0,1,0,0|2,0,0]=4 2663 B12R1.30 O=C(NCCO)[C@H]1CC=CCC1 527a_100000210304_100009820709 [1,0,0,1,0,0|2,0,0]=4 2664 B12R1.53 C#CCCC(=O)CC1C=CCC1 1458a_100000212241_100000753159 [1,0,0,1,0,0|0,0,2]=4 2665 B12R1.53 C/C=C/CC(=O)CC1C=CCC1 1458a_100000212241_100102629194 [1,0,0,1,0,0|0,0,2]=4 2666 B12R1.53 C=CCCC(=O)CC1C=CCC1 1458a_100000212241_100000754431 [1,0,0,1,0,0|0,0,2]=4 2667 B12R1.53 CC#CCC(=O)CC1C=CCC1 1458a_100000212241_100000748600 [1,0,0,1,0,0|0,0,2]=4 2668 B12R1.53 CC=CCC(=O)CC1C=CCC1 1458a_100000212241_100000070051 [1,0,0,1,0,0|0,0,2]=4 2669 B12R1.53 CCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210211 [1,0,0,1,0,0|0,0,2]=4 2670 B12R1.53 CCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210211 [1,0,0,1,0,0|0,0,0]=2 2671 B12R1.53 CCCCC(=O)CC1CC=CC1 1458a_200000137526_100000210211 [1,0,0,1,0,0|1,0,0]=3 2672 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [1,0,0,1,0,0|0,0,2]=4 2673 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [1,0,0,1,0,0|0,0,2]=4 2674 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [1,0,0,1,0,0|1,0,1]=4 2675 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100000210183_100000702531 [1,0,0,1,0,0|1,0,1]=4 2676 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100011218419_100000210211 [1,0,0,1,0,0|1,0,1]=4 2677 B12R1.53 CCCCC(=O)NC1CC=CC1 11a_100015188752_100000210183 [1,0,0,1,0,0|1,0,0]=3 2678 B12R1.53 CCCCC(=O)NC1CC=CC1 1626a_100015188752_100000210183 [1,0,0,1,0,0|1,0,0]=3 2679 B12R1.53 CCCCC(=O)NC1CC=CC1 240690a_100015188752_100000210183 [1,0,0,1,0,0|1,0,0]=3 2680 B12R1.53 CCCCC(=O)NC1CC=CC1 527a_100015188752_100000210183 [1,0,0,1,0,0|1,0,0]=3 2681 B12R1.53 CCCCC(=O)NC1CCCC1 11a_100000211070_100000210183 [1,0,0,1,0,0|1,0,1]=4 2682 B12R1.53 CCCCC(=O)NC1CCCC1 1626a_100000211070_100000210183 [1,0,0,1,0,0|1,0,1]=4 2683 B12R1.53 CCCCC(=O)NC1CCCC1 240690a_100000211070_100000210183 [1,0,0,1,0,0|1,0,1]=4 2684 B12R1.53 CCCCC(=O)NC1CCCC1 527a_100000211070_100000210183 [1,0,0,1,0,0|1,0,1]=4 2685 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210183 [1,0,0,1,0,0|2,0,0]=4 2686 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210183 [1,0,0,1,0,0|2,0,0]=4 2687 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210183 [1,0,0,1,0,0|2,0,0]=4 2688 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210183 [1,0,0,1,0,0|2,0,0]=4 2689 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210183 [1,0,0,1,0,0|2,0,0]=4 2690 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210183 [1,0,0,1,0,0|2,0,0]=4 2691 B12R1.53 CCCNC(=O)CC1C=CCC1 11a_100020643023_100000212241 [1,0,0,1,0,0|1,0,0]=3 2692 B12R1.53 CCCNC(=O)CC1C=CCC1 1626a_100020643023_100000212241 [1,0,0,1,0,0|1,0,0]=3 2693 B12R1.53 CCCNC(=O)CC1C=CCC1 240690a_100020643023_100000212241 [1,0,0,1,0,0|1,0,0]=3 2694 B12R1.53 CCCNC(=O)CC1C=CCC1 527a_100020643023_100000212241 [1,0,0,1,0,0|1,0,0]=3 2695 B12R1.53 CCCNC(=O)CC1CC=CC1 11a_100020643023_200000137526 [1,0,0,1,0,0|2,0,0]=4 2696 B12R1.53 CCCNC(=O)CC1CC=CC1 1626a_100020643023_200000137526 [1,0,0,1,0,0|2,0,0]=4 2697 B12R1.53 CCCNC(=O)CC1CC=CC1 240690a_100020643023_200000137526 [1,0,0,1,0,0|2,0,0]=4 2698 B12R1.53 CCCNC(=O)CC1CC=CC1 527a_100020643023_200000137526 [1,0,0,1,0,0|2,0,0]=4 2699 B12R1.53 CCCNC(=O)NC1CC=CC1 2708a_100015188752_100020643023 [1,0,0,1,0,0|2,0,0]=4 2700 B12R1.53 CCCNC(=O)NC1CC=CC1 2708a_100020643023_100015188752 [1,0,0,1,0,0|2,0,0]=4 2701 B12R1.53 CCCNC(=O)NC1CC=CC1 273464a_100015188752_100020643023 [1,0,0,1,0,0|2,0,0]=4 2702 B12R1.53 CCCNC(=O)NC1CC=CC1 273464a_100020643023_100015188752 [1,0,0,1,0,0|2,0,0]=4 2703 B12R1.53 CCCNC(=O)NC1CC=CC1 512a_100015188752_100020643023 [1,0,0,1,0,0|2,0,0]=4 2704 B12R1.53 CCCNC(=O)NC1CC=CC1 512a_100020643023_100015188752 [1,0,0,1,0,0|2,0,0]=4 2705 B12R1.53 CCNNC(=O)CC1C=CCC1 22a_100000756455_100000212241 [1,0,0,1,0,0|2,0,0]=4 2706 B12R1.53 CCOCC(=O)NC1CC=CC1 11a_100015188752_100000211967 [1,0,0,1,0,0|2,0,0]=4 2707 B12R1.53 CCOCC(=O)NC1CC=CC1 1626a_100015188752_100000211967 [1,0,0,1,0,0|2,0,0]=4 2708 B12R1.53 CCOCC(=O)NC1CC=CC1 240690a_100015188752_100000211967 [1,0,0,1,0,0|2,0,0]=4 2709 B12R1.53 CCOCC(=O)NC1CC=CC1 527a_100015188752_100000211967 [1,0,0,1,0,0|2,0,0]=4 2710 B12R1.53 CCSCC(=O)NC1CC=CC1 11a_100015188752_100000230394 [1,0,0,1,0,0|2,0,0]=4 2711 B12R1.53 CCSCC(=O)NC1CC=CC1 1626a_100015188752_100000230394 [1,0,0,1,0,0|2,0,0]=4 2712 B12R1.53 CCSCC(=O)NC1CC=CC1 240690a_100015188752_100000230394 [1,0,0,1,0,0|2,0,0]=4 2713 B12R1.53 CCSCC(=O)NC1CC=CC1 527a_100015188752_100000230394 [1,0,0,1,0,0|2,0,0]=4 2714 B12R1.53 COCCC(=O)CC1C=CCC1 1458a_100000212241_100000233755 [1,0,0,1,0,0|1,0,0]=3 2715 B12R1.53 COCCC(=O)CC1CC=CC1 1458a_200000137526_100000233755 [1,0,0,1,0,0|2,0,0]=4 2716 B12R1.53 COCCC(=O)NC1CC=CC1 11a_100015188752_100000749529 [1,0,0,1,0,0|2,0,0]=4 2717 B12R1.53 COCCC(=O)NC1CC=CC1 1626a_100015188752_100000749529 [1,0,0,1,0,0|2,0,0]=4 2718 B12R1.53 COCCC(=O)NC1CC=CC1 240690a_100015188752_100000749529 [1,0,0,1,0,0|2,0,0]=4 2719 B12R1.53 COCCC(=O)NC1CC=CC1 527a_100015188752_100000749529 [1,0,0,1,0,0|2,0,0]=4 2720 B12R1.53 CSCCC(=O)CC1C=CCC1 1458a_100000212241_100000751147 [1,0,0,1,0,0|1,0,0]=3 2721 B12R1.53 CSCCC(=O)CC1CC=CC1 1458a_200000137526_100000751147 [1,0,0,1,0,0|2,0,0]=4 2722 B12R1.53 CSCCC(=O)NC1CC=CC1 11a_100015188752_100000174002 [1,0,0,1,0,0|2,0,0]=4 2723 B12R1.53 CSCCC(=O)NC1CC=CC1 1626a_100015188752_100000174002 [1,0,0,1,0,0|2,0,0]=4 2724 B12R1.53 CSCCC(=O)NC1CC=CC1 240690a_100015188752_100000174002 [1,0,0,1,0,0|2,0,0]=4 2725 B12R1.53 CSCCC(=O)NC1CC=CC1 527a_100015188752_100000174002 [1,0,0,1,0,0|2,0,0]=4 2726 B12R1.53 N#CCCC(=O)CC1C=CCC1 1458a_100000212241_100011215226 [1,0,0,1,0,0|1,0,1]=4 2727 B12R1.53 O=C(CC1C=CCC1)NCCF 11a_100000724931_100000212241 [1,0,0,1,0,0|2,0,0]=4 2728 B12R1.53 O=C(CC1C=CCC1)NCCF 1626a_100000724931_100000212241 [1,0,0,1,0,0|2,0,0]=4 2729 B12R1.53 O=C(CC1C=CCC1)NCCF 240690a_100000724931_100000212241 [1,0,0,1,0,0|2,0,0]=4 2730 B12R1.53 O=C(CC1C=CCC1)NCCF 527a_100000724931_100000212241 [1,0,0,1,0,0|2,0,0]=4 2731 B12R1.53 O=C(CC1C=CCC1)NCCO 240690a_100000210304_100000212241 [1,0,0,1,0,0|2,0,0]=4 2732 B12R1.53 O=C(CC1C=CCC1)NCCO 527a_100000210304_100000212241 [1,0,0,1,0,0|2,0,0]=4 2733 B12R1.53 O=C(CCCF)CC1C=CCC1 1458a_100000212241_100011934791 [1,0,0,1,0,0|1,0,0]=3 2734 B12R1.53 O=C(CCCF)CC1CC=CC1 1458a_200000137526_100011934791 [1,0,0,1,0,0|2,0,0]=4 2735 B12R1.53 O=C(CCCO)CC1C=CCC1 1458a_100000212241_100011215043 [1,0,0,1,0,0|1,0,0]=3 2736 B12R1.53 O=C(CCCO)CC1CC=CC1 1458a_200000137526_100011215043 [1,0,0,1,0,0|2,0,0]=4 2737 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [1,0,0,1,0,0|0,0,2]=4 2738 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210183 [1,0,0,1,0,0|1,0,1]=4 2739 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210183 [1,0,0,1,0,0|1,0,1]=4 2740 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210183 [1,0,0,1,0,0|1,0,1]=4 2741 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210183 [1,0,0,1,0,0|1,0,1]=4 2742 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210183 [1,0,0,1,0,0|1,0,1]=4 2743 B12R1.460 CCCCC(=O)N1CCSC1C 11a_200011216479_100000210183 [1,0,0,1,0,0|2,0,0]=4 2744 B12R1.460 CCCCC(=O)N1CCSC1C 1626a_200011216479_100000210183 [1,0,0,1,0,0|2,0,0]=4 2745 B12R1.460 CCCCC(=O)N1CCSC1C 240690a_200011216479_100000210183 [1,0,0,1,0,0|2,0,0]=4 2746 B12R1.460 CCCCC(=O)N1CCSC1C 527a_200011216479_100000210183 [1,0,0,1,0,0|2,0,0]=4 2747 B12R1.463 CCCCC(=O)NCC1CCC1 11a_100000738700_100000210183 [1,0,0,1,0,0|1,0,1]=4 2748 B12R1.463 CCCCC(=O)NCC1CCC1 1626a_100000738700_100000210183 [1,0,0,1,0,0|1,0,1]=4 2749 B12R1.463 CCCCC(=O)NCC1CCC1 240690a_100000738700_100000210183 [1,0,0,1,0,0|1,0,1]=4 2750 B12R1.463 CCCCC(=O)NCC1CCC1 527a_100000738700_100000210183 [1,0,0,1,0,0|1,0,1]=4 2751 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210183 [1,0,0,1,0,0|2,0,0]=4 2752 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210183 [1,0,0,1,0,0|2,0,0]=4 2753 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210183 [1,0,0,1,0,0|2,0,0]=4 2754 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210183 [1,0,0,1,0,0|2,0,0]=4 2755 B12R1.464 CCCCC(=O)NCCC1CC1 1626a_100000764129_100000210183 [1,0,0,1,0,0|1,0,1]=4 2756 B12R1.464 CCCCC(=O)NCCC1CC1 240690a_100000764129_100000210183 [1,0,0,1,0,0|1,0,1]=4 2757 B12R1.464 CCCCC(=O)NCCC1CC1 527a_100000764129_100000210183 [1,0,0,1,0,0|1,0,1]=4 2758 B12R1.561 C/C=C/COCC(=O)C1CCC1 34a_100016270725_100000686122 [1,0,0,1,0,0|2,0,0]=4 2759 B12R1.561 C/C=C/CSCC(=O)C1CCC1 62a_100000686122_100102629194 [1,0,0,1,0,0|2,0,0]=4 2760 B12R1.561 C/C=C/CSCC(=O)C1CCC1 62a_100102629194_100000686122 [1,0,0,1,0,0|2,0,0]=4 2761 B12R1.561 CC/C=C\CCC(=O)C1CCC1 1458a_100000209988_100015370543 [1,0,0,1,0,0|0,0,0]=2 2762 B12R1.561 CC/C=C\CCC(=O)C1CCO1 1458a_100000089072_100015370543 [1,0,0,1,0,0|1,0,0]=3 2763 B12R1.561 CC/C=C\CCC(=O)C1COC1 1458a_100000758290_100015370543 [1,0,0,1,0,0|1,0,0]=3 2764 B12R1.561 CC/C=C\CCN(C)C1CCC1 2230a_100000758072_100015370543 [1,0,0,1,0,0|2,0,0]=4 2765 B12R1.561 CC/C=C\CCN(C)C1CCC1 269982a_100000758072_100015370543 [1,0,0,1,0,0|2,0,0]=4 2766 B12R1.561 CC/C=C\CCN(C)C1CCC1 34a_100000758072_100015370543 [1,0,0,1,0,0|2,0,0]=4 2767 B12R1.561 CC/C=C\COC(C)C1CCC1 34a_100000766398_100103147603 [1,0,0,1,0,0|1,0,1]=4 2768 B12R1.561 CC/C=C\COC(C)C1CCC1 7a_100000766398_100103147603 [1,0,0,1,0,0|1,0,1]=4 2769 B12R1.561 CC=CCSCC(=O)C1CCC1 62a_100000070051_100000686122 [1,0,0,1,0,0|2,0,0]=4 2770 B12R1.561 CC=CCSCC(=O)C1CCC1 62a_100000686122_100000070051 [1,0,0,1,0,0|2,0,0]=4 2771 B12R1.561 CCC/C=C/CC(=O)C1CCC1 1458a_200016266809_100000749161 [1,0,0,1,0,0|0,0,2]=4 2772 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [1,0,0,1,0,0|0,0,2]=4 2773 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [1,0,0,1,0,0|0,0,2]=4 2774 B12R1.561 CCCCCNC(=O)C1CCC1 11a_100000209983_100000209988 [1,0,0,1,0,0|1,0,1]=4 2775 B12R1.561 CCCCCNC(=O)C1CCC1 1626a_100000209983_100000209988 [1,0,0,1,0,0|1,0,1]=4 2776 B12R1.561 CCCCCNC(=O)C1CCC1 240690a_100000209983_100000209988 [1,0,0,1,0,0|1,0,1]=4 2777 B12R1.561 CCCCCNC(=O)C1CCC1 527a_100000209983_100000209988 [1,0,0,1,0,0|1,0,1]=4 2778 B12R1.561 CCCOCCC(=O)C1CCC1 1458a_100000209988_100011215938 [1,0,0,1,0,0|1,0,1]=4 2779 B12R1.561 CCNCCNC(=O)C1CCC1 2230a_100000723847_100000210202 [1,0,0,1,0,0|2,0,0]=4 2780 B12R1.561 CCNCCNC(=O)C1CCC1 34a_100000723847_100000210202 [1,0,0,1,0,0|2,0,0]=4 2781 B12R1.561 CCOCCCC(=O)C1CCC1 1458a_100000209988_100012232248 [1,0,0,1,0,0|1,0,1]=4 2782 B12R1.561 CCOCCNC(=O)C1CCC1 11a_100011200944_100000209988 [1,0,0,1,0,0|2,0,0]=4 2783 B12R1.561 CCOCCNC(=O)C1CCC1 1626a_102516460346_100000209988 [1,0,0,1,0,0|2,0,0]=4 2784 B12R1.561 CCOCCNC(=O)C1CCC1 240690a_100011200944_100000209988 [1,0,0,1,0,0|2,0,0]=4 2785 B12R1.561 CCOCCNC(=O)C1CCC1 527a_100011200944_100000209988 [1,0,0,1,0,0|2,0,0]=4 2786 B12R1.561 CCSCCNC(=O)C1CCC1 11a_100000106463_100000209988 [1,0,0,1,0,0|2,0,0]=4 2787 B12R1.561 CCSCCNC(=O)C1CCC1 1626a_100000106463_100000209988 [1,0,0,1,0,0|2,0,0]=4 2788 B12R1.561 CCSCCNC(=O)C1CCC1 240690a_100000106463_100000209988 [1,0,0,1,0,0|2,0,0]=4 2789 B12R1.561 CCSCCNC(=O)C1CCC1 527a_100000106463_100000209988 [1,0,0,1,0,0|2,0,0]=4 2790 B12R1.563 CC/C=C\CCC(=O)CC1CC1 1458a_100000738066_100015370543 [1,0,0,1,0,0|0,0,0]=2 2791 B12R1.563 CC/C=C\CCN(C)CC1CC1 2230a_100000741881_100015370543 [1,0,0,1,0,0|2,0,0]=4 2792 B12R1.563 CC/C=C\CCN(C)CC1CC1 269982a_100000741881_100015370543 [1,0,0,1,0,0|2,0,0]=4 2793 B12R1.563 CCC/C=C/CC(=O)CC1CC1 1458a_200016266809_100000742324 [1,0,0,1,0,0|0,0,2]=4 2794 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [1,0,0,1,0,0|0,0,2]=4 2795 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [1,0,0,1,0,0|0,0,2]=4 2796 B12R1.563 CCCCCNC(=O)CC1CC1 11a_100000209983_100000738066 [1,0,0,1,0,0|1,0,1]=4 2797 B12R1.563 CCCCCNC(=O)CC1CC1 1626a_100000209983_100000738066 [1,0,0,1,0,0|1,0,1]=4 2798 B12R1.563 CCCCCNC(=O)CC1CC1 240690a_100000209983_100000738066 [1,0,0,1,0,0|1,0,1]=4 2799 B12R1.563 CCCCCNC(=O)CC1CC1 527a_100000209983_100000738066 [1,0,0,1,0,0|1,0,1]=4 2800 B12R1.563 CCCOCCC(=O)CC1CC1 1458a_100000738066_100011215938 [1,0,0,1,0,0|1,0,1]=4 2801 B12R1.563 CCOCCCC(=O)CC1CC1 1458a_100000738066_100012232248 [1,0,0,1,0,0|1,0,1]=4 2802 B12R1.563 CCOCCNC(=O)CC1CC1 11a_100011200944_100000738066 [1,0,0,1,0,0|2,0,0]=4 2803 B12R1.563 CCOCCNC(=O)CC1CC1 1626a_102516460346_100000738066 [1,0,0,1,0,0|2,0,0]=4 2804 B12R1.563 CCOCCNC(=O)CC1CC1 240690a_100011200944_100000738066 [1,0,0,1,0,0|2,0,0]=4 2805 B12R1.563 CCOCCNC(=O)CC1CC1 527a_100011200944_100000738066 [1,0,0,1,0,0|2,0,0]=4 2806 B12R1.563 CCSCCNC(=O)CC1CC1 11a_100000106463_100000738066 [1,0,0,1,0,0|2,0,0]=4 2807 B12R1.563 CCSCCNC(=O)CC1CC1 1626a_100000106463_100000738066 [1,0,0,1,0,0|2,0,0]=4 2808 B12R1.563 CCSCCNC(=O)CC1CC1 240690a_100000106463_100000738066 [1,0,0,1,0,0|2,0,0]=4 2809 B12R1.563 CCSCCNC(=O)CC1CC1 527a_100000106463_100000738066 [1,0,0,1,0,0|2,0,0]=4 2810 B12R1.1112 CCCC1C(=O)NCCN1CC 2230a_200000695202_100000210202 [1,0,0,1,0,0|2,0,0]=4 2811 B12R1.1112 CCCC1C(=O)NCCN1CC 269982a_200000695202_100000204670 [1,0,0,1,0,0|2,0,0]=4 2812 B12R1.1112 CCCC1C(=O)NCCN1CC 34a_200000695202_100000210202 [1,0,0,1,0,0|2,0,0]=4 2813 B12R1.1758 CC/C=C\COC1(CCCC1)C 34a_100000751722_100103147603 [1,0,0,1,0,0|1,0,1]=4 2814 B12R1.1758 CC/C=C\COC1(CCCC1)C 7a_100000751722_100103147603 [1,0,0,1,0,0|1,0,1]=4 2815 B12R1.1761 CC/C=C\CCN1CC(C1)CC 2230a_100015205115_100015370543 [1,0,0,1,0,0|2,0,0]=4 2816 B12R1.1761 CC/C=C\CCN1CC(C1)CC 269982a_100015205115_100015370543 [1,0,0,1,0,0|2,0,0]=4 2817 B12R1.2563 CC/C=C\CCC(=O)C1CC1C 1458a_100000211227_100015370543 [1,0,0,1,0,0|0,0,0]=2 2818 B12R1.2563 CC/C=C\CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100015370543 [1,0,0,1,0,0|1,0,0]=3 2819 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [1,0,0,1,0,0|0,0,2]=4 2820 B12R1.2563 CCCCCNC(=O)C1CC1C 11a_100000209983_100000211227 [1,0,0,1,0,0|1,0,1]=4 2821 B12R1.2563 CCCCCNC(=O)C1CC1C 1626a_100000209983_100000211227 [1,0,0,1,0,0|1,0,1]=4 2822 B12R1.2563 CCCCCNC(=O)C1CC1C 527a_100000209983_100000211227 [1,0,0,1,0,0|1,0,1]=4 2823 B12R1.2563 CCCOCCC(=O)C1CC1C 1458a_100000211227_100011215938 [1,0,0,1,0,0|1,0,1]=4 2824 B12R1.2563 CCOCCCC(=O)C1CC1C 1458a_100000211227_100012232248 [1,0,0,1,0,0|1,0,1]=4 2825 B12R1.2563 CCOCCNC(=O)C1CC1C 11a_100011200944_100000211227 [1,0,0,1,0,0|2,0,0]=4 2826 B12R1.2563 CCOCCNC(=O)C1CC1C 1626a_102516460346_100000211227 [1,0,0,1,0,0|2,0,0]=4 2827 B12R1.2563 CCOCCNC(=O)C1CC1C 527a_100011200944_100000211227 [1,0,0,1,0,0|2,0,0]=4 2828 B12R1.2563 CCSCCNC(=O)C1CC1C 11a_100000106463_100000211227 [1,0,0,1,0,0|2,0,0]=4 2829 B12R1.2563 CCSCCNC(=O)C1CC1C 1626a_100000106463_100000211227 [1,0,0,1,0,0|2,0,0]=4 2830 B12R1.2563 CCSCCNC(=O)C1CC1C 527a_100000106463_100000211227 [1,0,0,1,0,0|2,0,0]=4 2831 B14R1.123 CC/C=C/CCCOC1CCCCC1 34a_100016287902_100000210327 [0,1,0,1,0,0|1,0,1]=4 2832 B14R1.123 CC/C=C/CCCOC1CCCCC1 7a_100016287902_100000210327 [0,1,0,1,0,0|1,0,1]=4 2833 B14R1.123 CC/C=C\CCOCC1CCCCC1 34a_100000212181_100015370543 [0,1,0,1,0,0|1,0,1]=4 2834 B14R1.123 CC/C=C\CCOCC1CCCCC1 34a_100016288707_100000211423 [0,1,0,1,0,0|1,0,1]=4 2835 B14R1.123 CC/C=C\CCOCC1CCCCC1 7a_100000212181_100015370543 [0,1,0,1,0,0|1,0,1]=4 2836 B14R1.123 CC/C=C\CCOCC1CCCCC1 7a_100016288707_100000211423 [0,1,0,1,0,0|1,0,1]=4 2837 B14R1.123 CC/C=C\CCOCC1CCCCN1 34a_100000210821_100015370543 [0,1,0,1,0,0|1,0,1]=4 2838 B14R1.123 CC/C=C\CCOCC1CCCCO1 34a_100000211370_100015370543 [0,1,0,1,0,0|0,0,2]=4 2839 B14R1.123 CC/C=C\CCOCC1CCCCO1 34a_100016288707_100000211543 [0,1,0,1,0,0|0,0,2]=4 2840 B14R1.123 CC/C=C\CCOCC1CCCCO1 7a_100000211370_100015370543 [0,1,0,1,0,0|0,0,2]=4 2841 B14R1.123 CC/C=C\CCOCC1CCCCO1 7a_100016288707_100000211543 [0,1,0,1,0,0|0,0,2]=4 2842 B14R1.123 CC/C=C\CNCCC1=CCCCC1 2230a_100000212019_100103147603 [0,1,0,1,0,0|2,0,0]=4 2843 B14R1.123 CC/C=C\CNCCC1=CCCCC1 34a_100000212019_100103147603 [0,1,0,1,0,0|2,0,0]=4 2844 B14R1.123 CC/C=C\COCOC1CCCCC1 34a_100016268518_100011935260 [0,1,0,1,0,0|1,0,1]=4 2845 B14R1.123 CC/C=C\CSCOC1CCCCC1 62a_100011935260_100103147603 [0,1,0,1,0,0|1,0,1]=4 2846 B14R1.123 CC/C=C\CSCOC1CCCCC1 62a_100103147603_100011935260 [0,1,0,1,0,0|1,0,1]=4 2847 B14R1.156 CCCCC(=O)COC1CCCCC1 1458a_100000210183_100011935260 [0,1,0,1,0,0|0,0,2]=4 2848 B14R1.156 CCCCC(=O)COC1CCCCC1 1458a_100011223303_100000210211 [0,1,0,1,0,0|0,0,2]=4 2849 B14R1.156 CCCCC(C)OCC1CC=CCC1 34a_100000210713_200011215066 [0,1,0,1,0,0|1,0,1]=4 2850 B14R1.156 CCCCC(C)OCC1CCC=CO1 34a_100011217868_200011215066 [0,1,0,1,0,0|1,0,1]=4 2851 B14R1.156 CCCNC(=O)COC1CC=CCC1 34a_100000073881_100000183358 [0,1,0,1,0,0|1,0,0]=3 2852 B14R1.156 CCCOC(=O)COC1CC=CCC1 34a_100000073881_200011215008 [0,1,0,1,0,0|1,0,0]=3 2853 B14R1.156 CCCOC(=O)OCN1CC=CCC1 269982a_100000698166_200000139673 [0,1,0,1,0,0|1,0,0]=3 2854 B14R1.156 CCCOC(=O)OCN1CC=CCC1 34a_100000698166_200000139673 [0,1,0,1,0,0|1,0,0]=3 2855 B14R1.177 CCCCC(=O)COCC1CCCO1 1458a_100011223388_100000210211 [0,1,0,1,0,0|1,0,1]=4 2856 B14R1.882 C/C=C/C=C/COC1CCCCC1=O 34a_100016283227_100000754470 [0,1,0,1,0,0|0,0,2]=4 2857 B14R1.882 CC/C=C\CCNC1CCCNC1=O 2230a_100000747585_100015370543 [0,1,0,1,0,0|2,0,0]=4 2858 B14R1.882 CC/C=C\CCNC1CCCNC1=O 34a_100000747585_100015370543 [0,1,0,1,0,0|2,0,0]=4 2859 B14R1.882 CC/C=C\CCOC1CCCCC1=O 34a_100011214950_100015370543 [0,1,0,1,0,0|0,0,0]=2 2860 B14R1.882 CC/C=C\CCOC1CCCCC1=O 34a_100016288707_100000754470 [0,1,0,1,0,0|0,0,0]=2 2861 B14R1.882 CC/C=C\CCOC1CCCCC1=O 7a_100016288707_100000204591 [0,1,0,1,0,0|0,0,0]=2 2862 B14R1.882 CC/C=C\CCOC1CCCCC1C 34a_100000211207_100015370543 [0,1,0,1,0,0|1,0,1]=4 2863 B14R1.882 CC/C=C\CCOC1CCCCC1C 7a_100000211207_100015370543 [0,1,0,1,0,0|1,0,1]=4 2864 B14R1.882 CC/C=C\CCOC1CCCCC1Cl 34a_100000038908_100015370543 [0,1,0,1,0,0|1,0,1]=4 2865 B14R1.882 CC/C=C\CCOC1CCCCC1Cl 7a_100000038908_100015370543 [0,1,0,1,0,0|1,0,1]=4 2866 B14R1.882 CC/C=C\CCOC1CCCCC1F 34a_100016288707_100015423560 [0,1,0,1,0,0|1,0,1]=4 2867 B14R1.882 CC/C=C\CCOC1CCCCC1O 34a_100016288707_100000038908 [0,1,0,1,0,0|0,0,2]=4 2868 B14R1.882 CC/C=C\CCOC1CCCNC1=O 34a_100000073722_100015370543 [0,1,0,1,0,0|1,0,0]=3 2869 B14R1.882 CC/C=C\CCOC1CCCNC1=O 34a_100016288707_100000687798 [0,1,0,1,0,0|1,0,0]=3 2870 B14R1.882 CC/C=C\CCOC1CCCNC1=O 7a_100016288707_100000687798 [0,1,0,1,0,0|1,0,0]=3 2871 B14R1.882 CC/C=C\CCOC1COCCC1=O 34a_100016288707_100012180262 [0,1,0,1,0,0|1,0,0]=3 2872 B14R1.882 CC/C=C\CCOC1COCCC1=O 7a_100016288707_100012180262 [0,1,0,1,0,0|1,0,0]=3 2873 B14R1.882 CC/C=C\CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015370543 [0,1,0,1,0,0|1,0,1]=4 2874 B14R1.882 CC/C=C\CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015370543 [0,1,0,1,0,0|1,0,1]=4 2875 B14R1.882 CC/C=C\CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015370543 [0,1,0,1,0,0|1,0,1]=4 2876 B14R1.882 CC/C=C\CCSC1CCCCC1=O 62a_100000204591_100015370543 [0,1,0,1,0,0|0,1,0]=3 2877 B14R1.882 CC/C=C\CCSC1CCCCC1=O 62a_100015370543_100000204591 [0,1,0,1,0,0|0,1,0]=3 2878 B14R1.882 CC/C=C\CCSC1CCCNC1=O 62a_100000687798_100015370543 [0,1,0,1,0,0|1,1,0]=4 2879 B14R1.882 CC/C=C\CCSC1CCCNC1=O 62a_100015370543_100000687798 [0,1,0,1,0,0|1,1,0]=4 2880 B14R1.882 CC/C=C\CCSC1COCCC1=O 62a_100012180262_100015370543 [0,1,0,1,0,0|1,1,0]=4 2881 B14R1.882 CC/C=C\CCSC1COCCC1=O 62a_100015370543_100012180262 [0,1,0,1,0,0|1,1,0]=4 2882 B14R1.882 CC/C=C\COCC1CCCCC1=O 34a_100009861125_100103147603 [0,1,0,1,0,0|1,0,0]=3 2883 B14R1.882 CC/C=C\COCC1CCCCC1=O 7a_100009861125_100103147603 [0,1,0,1,0,0|1,0,0]=3 2884 B14R1.882 CC=C=CCCOC1CCCCC1=O 34a_100011020354_100000754470 [0,1,0,1,0,0|0,0,2]=4 2885 B14R1.882 CC=CCCCOC1CCCCC1=O 34a_100020645299_100000754470 [0,1,0,1,0,0|0,0,2]=4 2886 B14R1.882 CCC#CCCOC1CCCCC1=O 34a_100000036655_100000754470 [0,1,0,1,0,0|0,0,2]=4 2887 B14R1.882 CCC#CCCOC1CCCCC1=O 7a_100000036655_100000204591 [0,1,0,1,0,0|0,0,2]=4 2888 B14R1.882 CCC/C=C/COC1CCCCC1=O 34a_100016278788_100000754470 [0,1,0,1,0,0|0,0,2]=4 2889 B14R1.882 CCC/C=C/COC1CCCCC1=O 7a_100016278788_100000204591 [0,1,0,1,0,0|0,0,2]=4 2890 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [0,1,0,1,0,0|0,0,2]=4 2891 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [0,1,0,1,0,0|0,0,2]=4 2892 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [0,1,0,1,0,0|0,0,2]=4 2893 B14R1.882 CCCOCCOC1CCCCC1=O 34a_100000752267_100000754470 [0,1,0,1,0,0|1,0,1]=4 2894 B14R1.882 CCCOCCOC1CCCCC1=O 34a_100011214950_100011215938 [0,1,0,1,0,0|1,0,1]=4 2895 B14R1.882 CCCOCCOC1CCCCC1=O 7a_100000752267_100000204591 [0,1,0,1,0,0|1,0,1]=4 2896 B14R1.882 CCCSCCOC1CCCCC1=O 34a_200000230433_100000754470 [0,1,0,1,0,0|1,0,1]=4 2897 B14R1.882 CCCSCCOC1CCCCC1=O 7a_200000230433_100000204591 [0,1,0,1,0,0|1,0,1]=4 2898 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100000757476_100000754470 [0,1,0,1,0,0|1,0,1]=4 2899 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100011214950_100012232248 [0,1,0,1,0,0|1,0,1]=4 2900 B14R1.882 CCOCCCOC1CCCCC1=O 7a_100000757476_100000204591 [0,1,0,1,0,0|1,0,1]=4 2901 B14R1.882 CCSCCCOC1CCCCC1=O 34a_100011216438_100000754470 [0,1,0,1,0,0|1,0,1]=4 2902 B14R1.882 CCSCCCOC1CCCCC1=O 7a_100011216438_100000204591 [0,1,0,1,0,0|1,0,1]=4 2903 B14R1.887 CC/C=C/Cc1nc(no1)CCCC 270196a_100011193411_100016274230 [0,1,0,1,0,0|1,0,1]=4 2904 B14R1.916 CCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210211 [0,1,0,1,0,0|2,0,0]=4 2905 B14R1.1237 CC/C=C\CCOC1C(=O)CCC1=O 7a_100016288707_100009820769 [0,1,0,1,0,0|1,0,1]=4 2906 B14R1.1252 CC/C=C\CCN1CCCNC(=O)C1 2230a_100015190381_100015370543 [0,1,0,1,0,0|2,0,0]=4 2907 B14R1.2402 CC/C=C\CN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100103147603 [0,1,0,1,0,0|2,0,0]=4 2908 B14R1.2402 CC/C=C\CN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100103147603 [0,1,0,1,0,0|2,0,0]=4 2909 B14R1.2402 CC/C=C\CN1CCC(=O)NC[C@@H]1C 34a_102125656889_100103147603 [0,1,0,1,0,0|2,0,0]=4 2910 B14R1.2470 CCCCC(=O)C1CC/C=C\CCC1 1458a_100000210183_100021000466 [0,1,0,1,0,0|1,0,0]=3 2911 B14R1.2470 CCOCC(=O)C1CC/C=C\CCC1 1458a_100000211967_100021000466 [0,1,0,1,0,0|2,0,0]=4 2912 B14R1.2470 CCSCC(=O)C1CC/C=C\CCC1 1458a_100000230394_100021000466 [0,1,0,1,0,0|2,0,0]=4 2913 B14R1.2470 COCCC(=O)C1CC/C=C\CCC1 1458a_100000749529_100021000466 [0,1,0,1,0,0|2,0,0]=4 2914 B14R1.2470 CSCCC(=O)C1CC/C=C\CCC1 1458a_100000174002_100021000466 [0,1,0,1,0,0|2,0,0]=4 2915 B14R1.3768 C/C=C/C=C/COCC(=O)C1CCC1 34a_100016283227_100000686122 [0,1,0,1,0,0|0,0,2]=4 2916 B14R1.3768 CC/C=C\CCOCC(=O)C1CCC1 34a_100016288707_100000686122 [0,1,0,1,0,0|0,0,0]=2 2917 B14R1.3768 CC/C=C\CCOCC(=O)C1CCC1 7a_100016288707_100000686122 [0,1,0,1,0,0|0,0,0]=2 2918 B14R1.3768 CC/C=C\CCOCC(=O)N1CCC1 34a_100016288707_100000185095 [0,1,0,1,0,0|1,0,0]=3 2919 B14R1.3768 CC/C=C\CCOCC(=O)N1CCC1 7a_100016288707_100000185095 [0,1,0,1,0,0|1,0,0]=3 2920 B14R1.3768 CC/C=C\CCSCC(=O)C1CCC1 62a_100000686122_100015370543 [0,1,0,1,0,0|0,1,0]=3 2921 B14R1.3768 CC/C=C\CCSCC(=O)C1CCC1 62a_100015370543_100000686122 [0,1,0,1,0,0|0,1,0]=3 2922 B14R1.3768 CC/C=C\CCSCC(=O)N1CCC1 62a_100000185095_100015370543 [0,1,0,1,0,0|1,1,0]=4 2923 B14R1.3768 CC/C=C\CCSCC(=O)N1CCC1 62a_100015370543_100000185095 [0,1,0,1,0,0|1,1,0]=4 2924 B14R1.3768 CC=C=CCCOCC(=O)C1CCC1 34a_100011020354_100000686122 [0,1,0,1,0,0|0,0,2]=4 2925 B14R1.3768 CC=CCCCOCC(=O)C1CCC1 34a_100020645299_100000686122 [0,1,0,1,0,0|0,0,2]=4 2926 B14R1.3768 CCC#CCCOCC(=O)C1CCC1 34a_100000036655_100000686122 [0,1,0,1,0,0|0,0,2]=4 2927 B14R1.3768 CCC#CCCOCC(=O)C1CCC1 7a_100000036655_100000686122 [0,1,0,1,0,0|0,0,2]=4 2928 B14R1.3768 CCC/C=C/COCC(=O)C1CCC1 34a_100016278788_100000686122 [0,1,0,1,0,0|0,0,2]=4 2929 B14R1.3768 CCC/C=C/COCC(=O)C1CCC1 7a_100016278788_100000686122 [0,1,0,1,0,0|0,0,2]=4 2930 B14R1.3768 CCCCCCOCC(=O)C1CCC1 34a_100000210259_100000686122 [0,1,0,1,0,0|0,0,2]=4 2931 B14R1.3768 CCCCCCOCC(=O)C1CCC1 7a_100000210259_100000686122 [0,1,0,1,0,0|0,0,2]=4 2932 B14R1.3768 CCCOCCOCC(=O)C1CCC1 34a_100000752267_100000686122 [0,1,0,1,0,0|1,0,1]=4 2933 B14R1.3768 CCCOCCOCC(=O)C1CCC1 7a_100000752267_100000686122 [0,1,0,1,0,0|1,0,1]=4 2934 B14R1.3768 CCCSCCOCC(=O)C1CCC1 34a_200000230433_100000686122 [0,1,0,1,0,0|1,0,1]=4 2935 B14R1.3768 CCCSCCOCC(=O)C1CCC1 7a_200000230433_100000686122 [0,1,0,1,0,0|1,0,1]=4 2936 B14R1.3768 CCOCCCOCC(=O)C1CCC1 34a_100000757476_100000686122 [0,1,0,1,0,0|1,0,1]=4 2937 B14R1.3768 CCOCCCOCC(=O)C1CCC1 7a_100000757476_100000686122 [0,1,0,1,0,0|1,0,1]=4 2938 B14R1.3768 CCSCCCOCC(=O)C1CCC1 34a_100011216438_100000686122 [0,1,0,1,0,0|1,0,1]=4 2939 B14R1.3768 CCSCCCOCC(=O)C1CCC1 7a_100011216438_100000686122 [0,1,0,1,0,0|1,0,1]=4 2940 B14R1.3770 CC/C=C\CCNCC(=O)NC1CC1 2230a_100000702991_100015370543 [0,1,0,1,0,0|2,0,0]=4 2941 B14R1.3770 CC/C=C\CCOCC(=O)NC1CC1 34a_100016288707_100000182950 [0,1,0,1,0,0|1,0,0]=3 2942 B14R1.3770 CC/C=C\CCOCC(=O)NC1CC1 7a_100016288707_100000182950 [0,1,0,1,0,0|1,0,0]=3 2943 B14R1.3770 CC/C=C\CCSCC(=O)NC1CC1 62a_100000182950_100015370543 [0,1,0,1,0,0|1,1,0]=4 2944 B14R1.3770 CC/C=C\CCSCC(=O)NC1CC1 62a_100015370543_100000182950 [0,1,0,1,0,0|1,1,0]=4 2945 B14R1.3770 CC/C=C\COCCC(=O)NC1CC1 34a_100016268518_100000737409 [0,1,0,1,0,0|2,0,0]=4 2946 B14R1.3770 CC/C=C\CSCCC(=O)NC1CC1 62a_100000737409_100103147603 [0,1,0,1,0,0|2,0,0]=4 2947 B14R1.3770 CC/C=C\CSCCC(=O)NC1CC1 62a_100103147603_100000737409 [0,1,0,1,0,0|2,0,0]=4 2948 B14R1.4731 CC/C=C\CCOCC1(CCCC1)N 34a_100000749328_100015370543 [0,1,0,1,0,0|1,0,1]=4 2949 B14R1.16 CCCCC(=O)N1CCNC(=O)C1C 11a_100000750721_100000210183 [0,1,0,1,0,0|2,0,0]=4 2950 B14R1.16 CCCCC(=O)N1CCNC(=O)C1C 1626a_100000750721_100000210183 [0,1,0,1,0,0|2,0,0]=4 2951 B14R1.16 CCCCC(=O)N1CCNC(=O)C1C 240690a_100000750721_100000210183 [0,1,0,1,0,0|2,0,0]=4 2952 B14R1.16 CCCCC(=O)N1CCNC(=O)C1C 527a_100000750721_100000210183 [0,1,0,1,0,0|2,0,0]=4 2953 B14R1.33 CCCCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210183 [0,1,0,1,0,0|2,0,0]=4 2954 B14R1.33 CCCCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210183 [0,1,0,1,0,0|2,0,0]=4 2955 B14R1.33 CCCCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210183 [0,1,0,1,0,0|2,0,0]=4 2956 B14R1.33 CCCCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210183 [0,1,0,1,0,0|2,0,0]=4 2957 B14R1.155 CCCCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000210183 [0,1,0,1,0,0|2,0,0]=4 2958 B14R1.155 CCCCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000210183 [0,1,0,1,0,0|2,0,0]=4 2959 B14R1.155 CCCCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210183 [0,1,0,1,0,0|2,0,0]=4 2960 B14R1.155 CCCCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210183 [0,1,0,1,0,0|2,0,0]=4 2961 B14R1.155 CCCCC(C)OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200011215066 [0,1,0,1,0,0|1,0,1]=4 2962 B14R1.837 CCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100000210202 [0,1,0,1,0,0|1,0,1]=4 2963 B14R1.837 CCC(=O)NCCN1CCCCC1=O 11a_100160573077_100000210414 [0,1,0,1,0,0|2,0,0]=4 2964 B14R1.837 CCC(=O)NCCN1CCCCC1=O 1626a_100160573077_100000210414 [0,1,0,1,0,0|2,0,0]=4 2965 B14R1.837 CCC(=O)NCCN1CCCCC1=O 240690a_100160573077_100000210414 [0,1,0,1,0,0|2,0,0]=4 2966 B14R1.837 CCC(=O)NCCN1CCCCC1=O 527a_100160573077_100000210414 [0,1,0,1,0,0|2,0,0]=4 2967 B14R1.2469 CCCCC(=O)N1CCNC(=O)CC1 11a_100000698595_100000210183 [0,1,0,1,0,0|2,0,0]=4 2968 B14R1.2469 CCCCC(=O)N1CCNC(=O)CC1 1626a_100000698595_100000210183 [0,1,0,1,0,0|2,0,0]=4 2969 B14R1.2469 CCCCC(=O)N1CCNC(=O)CC1 240690a_100000698595_100000210183 [0,1,0,1,0,0|2,0,0]=4 2970 B14R1.2469 CCCCC(=O)N1CCNC(=O)CC1 527a_100000698595_100000210183 [0,1,0,1,0,0|2,0,0]=4 2971 B14R1.3101 CCCC1C(=O)NCCN1C(=O)CC 11a_200000695202_100000210414 [0,1,0,1,0,0|2,0,0]=4 2972 B14R1.3101 CCCC1C(=O)NCCN1C(=O)CC 1626a_200000695202_100000210414 [0,1,0,1,0,0|2,0,0]=4 2973 B14R1.3101 CCCC1C(=O)NCCN1C(=O)CC 240690a_200000695202_100000210414 [0,1,0,1,0,0|2,0,0]=4 2974 B14R1.3101 CCCC1C(=O)NCCN1C(=O)CC 527a_200000695202_100000210414 [0,1,0,1,0,0|2,0,0]=4 2975 B14R1.7728 CCC(=O)NCCNC(=O)C1CCC1 11a_100000723847_100000210414 [0,1,0,1,0,0|2,0,0]=4 2976 B14R1.7728 CCC(=O)NCCNC(=O)C1CCC1 11a_100132302217_100000209988 [0,1,0,1,0,0|2,0,0]=4 2977 B14R1.7728 CCC(=O)NCCNC(=O)C1CCC1 1626a_100000723847_100000210414 [0,1,0,1,0,0|2,0,0]=4 2978 B14R1.7728 CCC(=O)NCCNC(=O)C1CCC1 1626a_100132302217_100000209988 [0,1,0,1,0,0|2,0,0]=4 2979 B14R1.7728 CCC(=O)NCCNC(=O)C1CCC1 240690a_100000723847_100000210414 [0,1,0,1,0,0|2,0,0]=4 2980 B14R1.7728 CCC(=O)NCCNC(=O)C1CCC1 240690a_100132302217_100000209988 [0,1,0,1,0,0|2,0,0]=4 2981 B14R1.7728 CCC(=O)NCCNC(=O)C1CCC1 527a_100000723847_100000210414 [0,1,0,1,0,0|2,0,0]=4 2982 B14R1.7728 CCC(=O)NCCNC(=O)C1CCC1 527a_100132302217_100000209988 [0,1,0,1,0,0|2,0,0]=4 2983 B14R1.7730 CCC(=O)NCCNC(=O)CC1CC1 11a_100132302217_100000738066 [0,1,0,1,0,0|2,0,0]=4 2984 B14R1.7730 CCC(=O)NCCNC(=O)CC1CC1 1626a_100132302217_100000738066 [0,1,0,1,0,0|2,0,0]=4 2985 B14R1.7730 CCC(=O)NCCNC(=O)CC1CC1 240690a_100132302217_100000738066 [0,1,0,1,0,0|2,0,0]=4 2986 B14R1.7730 CCC(=O)NCCNC(=O)CC1CC1 527a_100132302217_100000738066 [0,1,0,1,0,0|2,0,0]=4 2987 B14R1.19689 CCC(=O)NCCNC(=O)C1CC1C 11a_100132302217_100000211227 [0,1,0,1,0,0|2,0,0]=4 2988 B14R1.19689 CCC(=O)NCCNC(=O)C1CC1C 1626a_100132302217_100000211227 [0,1,0,1,0,0|2,0,0]=4 2989 B14R1.19689 CCC(=O)NCCNC(=O)C1CC1C 527a_100132302217_100000211227 [0,1,0,1,0,0|2,0,0]=4 2990 B14R1.34 CCCCC(=O)NC1CCNC(=O)C1 11a_100016994916_100000210183 [0,1,0,1,0,0|2,0,0]=4 2991 B14R1.34 CCCCC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000210183 [0,1,0,1,0,0|2,0,0]=4 2992 B14R1.34 CCCCC(=O)NC1CCNC(=O)C1 240690a_100016994916_100000210183 [0,1,0,1,0,0|2,0,0]=4 2993 B14R1.34 CCCCC(=O)NC1CCNC(=O)C1 527a_100016994916_100000210183 [0,1,0,1,0,0|2,0,0]=4 2994 B14R1.14 CC/C=C\CCOC1CCC(CC1)C 34a_100000210714_100015370543 [0,1,0,1,0,0|1,0,1]=4 2995 B14R1.14 CC/C=C\CCOC1CCC(CC1)C 34a_100016288707_200011216234 [0,1,0,1,0,0|1,0,1]=4 2996 B14R1.14 CC/C=C\CCOC1CCC(CC1)C 7a_100000210714_100015370543 [0,1,0,1,0,0|1,0,1]=4 2997 B14R1.14 CC/C=C\CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100015370543 [0,1,0,1,0,0|1,0,1]=4 2998 B14R1.423 CC(C)CCC(C)OC1CC=CCC1 34a_100000073881_100011261404 [0,1,0,1,0,0|1,0,1]=4 2999 B14R1.10371 C=C(C)CCC(=O)C1CCC=CCC1 1458a_100000048548_100000730704 [0,1,0,1,0,0|1,0,1]=4 3000 B14R1.10371 CC(C)CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210312 [0,1,0,1,0,0|1,0,0]=3 3001 B14R1.10371 CC(C)CNC(=O)C1CCC=CCC1 11a_100000210953_100000048548 [0,1,0,1,0,0|2,0,0]=4 3002 B14R1.10371 CC(C)CNC(=O)C1CCC=CCC1 1626a_100000210953_100000048548 [0,1,0,1,0,0|2,0,0]=4 3003 B14R1.10371 CC(C)CNC(=O)C1CCC=CCC1 240690a_100000210953_100000048548 [0,1,0,1,0,0|2,0,0]=4 3004 B14R1.10371 CC(C)CNC(=O)C1CCC=CCC1 527a_100000210953_100000048548 [0,1,0,1,0,0|2,0,0]=4 3005 B14R1.10371 CC(O)CCC(=O)C1CCC=CCC1 1458a_100000048548_100012276601 [0,1,0,1,0,0|1,0,0]=3 3006 B14R1.10371 CC(O)CNC(=O)C1CCC=CCC1 11a_100000210904_100000048548 [0,1,0,1,0,0|2,0,0]=4 3007 B14R1.10371 CC(O)CNC(=O)C1CCC=CCC1 240690a_100000210904_100000048548 [0,1,0,1,0,0|2,0,0]=4 3008 B14R1.10371 CC(O)CNC(=O)C1CCC=CCC1 527a_100000210904_100000048548 [0,1,0,1,0,0|2,0,0]=4 3009 B14R1.598 CCCC(=O)CCN1CCCCC1=O 1458a_100011236303_100000210303 [0,1,0,1,0,0|1,0,1]=4 3010 B14R1.598 CCNC(=O)CCN1CCCCC1=O 11a_100015525214_100011236303 [0,1,0,1,0,0|2,0,0]=4 3011 B14R1.598 CCNC(=O)CCN1CCCCC1=O 240690a_100015525214_100011236303 [0,1,0,1,0,0|2,0,0]=4 3012 B14R1.598 CCNC(=O)CCN1CCCCC1=O 527a_100015525214_100011236303 [0,1,0,1,0,0|2,0,0]=4 3013 B14R1.2529 CCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210211 [0,1,0,1,0,0|2,0,0]=4 3014 B14R1.7174 CCNC(=O)CCCC(=O)C1CCC1 1458a_100000199580_100000749161 [0,1,0,1,0,0|2,0,0]=4 3015 B14R1.7174 CCNC(=O)CCNC(=O)C1CCC1 11a_100025743525_100000209988 [0,1,0,1,0,0|2,0,0]=4 3016 B14R1.7174 CCNC(=O)CCNC(=O)C1CCC1 1626a_100025743525_100000209988 [0,1,0,1,0,0|2,0,0]=4 3017 B14R1.7174 CCNC(=O)CCNC(=O)C1CCC1 240690a_100025743525_100000209988 [0,1,0,1,0,0|2,0,0]=4 3018 B14R1.7174 CCNC(=O)CCNC(=O)C1CCC1 527a_100025743525_100000209988 [0,1,0,1,0,0|2,0,0]=4 3019 B14R1.7174 CCOC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100011215271 [0,1,0,1,0,0|2,0,0]=4 3020 B14R1.7174 CCOC(=O)CCCC(=O)C1CCC1 1458a_100000210991_100000749161 [0,1,0,1,0,0|2,0,0]=4 3021 B14R1.7174 CCOC(=O)CCNC(=O)C1CCC1 188690a_100000746078_100000209988 [0,1,0,1,0,0|2,0,0]=4 3022 B14R1.7176 CCNC(=O)CCCC(=O)CC1CC1 1458a_100000199580_100000742324 [0,1,0,1,0,0|2,0,0]=4 3023 B14R1.7176 CCNC(=O)CCNC(=O)CC1CC1 11a_100025743525_100000738066 [0,1,0,1,0,0|2,0,0]=4 3024 B14R1.7176 CCNC(=O)CCNC(=O)CC1CC1 1626a_100025743525_100000738066 [0,1,0,1,0,0|2,0,0]=4 3025 B14R1.7176 CCNC(=O)CCNC(=O)CC1CC1 240690a_100025743525_100000738066 [0,1,0,1,0,0|2,0,0]=4 3026 B14R1.7176 CCNC(=O)CCNC(=O)CC1CC1 527a_100025743525_100000738066 [0,1,0,1,0,0|2,0,0]=4 3027 B14R1.7176 CCOC(=O)CCCC(=O)CC1CC1 1458a_100000210991_100000742324 [0,1,0,1,0,0|2,0,0]=4 3028 B14R1.7176 CCOC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011215271 [0,1,0,1,0,0|2,0,0]=4 3029 B14R1.7176 CCOC(=O)CCNC(=O)CC1CC1 188690a_100000746078_100000738066 [0,1,0,1,0,0|2,0,0]=4 3030 B14R1.19202 CCCC(=O)CCNC(=O)C1CC1C 1458a_100000195327_100000210303 [0,1,0,1,0,0|1,0,1]=4 3031 B14R1.19202 CCNC(=O)CCNC(=O)C1CC1C 11a_100015525214_100000195327 [0,1,0,1,0,0|2,0,0]=4 3032 B14R1.19202 CCNC(=O)CCNC(=O)C1CC1C 11a_100025743525_100000211227 [0,1,0,1,0,0|2,0,0]=4 3033 B14R1.19202 CCNC(=O)CCNC(=O)C1CC1C 1626a_100025743525_100000211227 [0,1,0,1,0,0|2,0,0]=4 3034 B14R1.19202 CCNC(=O)CCNC(=O)C1CC1C 240690a_100015525214_100000195327 [0,1,0,1,0,0|2,0,0]=4 3035 B14R1.19202 CCNC(=O)CCNC(=O)C1CC1C 527a_100015525214_100000195327 [0,1,0,1,0,0|2,0,0]=4 3036 B14R1.19202 CCNC(=O)CCNC(=O)C1CC1C 527a_100025743525_100000211227 [0,1,0,1,0,0|2,0,0]=4 3037 B14R1.19202 CCOC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011215271 [0,1,0,1,0,0|2,0,0]=4 3038 B14R1.19202 CCOC(=O)CCNC(=O)C1CC1C 188690a_100000746078_100000211227 [0,1,0,1,0,0|2,0,0]=4 3039 B14R1.158 CCCCCC(=O)CN1CC=CCC1 2230a_100000698166_200012276598 [0,1,0,1,0,0|2,0,0]=4 3040 B14R1.158 CCCCCC(=O)CN1CC=CCC1 269982a_100000698166_200012276598 [0,1,0,1,0,0|2,0,0]=4 3041 B14R1.158 CCCCCC(=O)CN1CC=CCC1 34a_100000698166_200012276598 [0,1,0,1,0,0|2,0,0]=4 3042 B14R1.158 CCCCCC(C)OC1CC=CCC1 34a_100000073881_200011218191 [0,1,0,1,0,0|1,0,1]=4 3043 B14R1.158 CCCCNC(=O)CN1CC=CCC1 2230a_100000698166_100000182744 [0,1,0,1,0,0|2,0,0]=4 3044 B14R1.158 CCCCNC(=O)CN1CC=CCC1 269982a_100000698166_100000182744 [0,1,0,1,0,0|2,0,0]=4 3045 B14R1.158 CCCCNC(=O)CN1CC=CCC1 34a_100000698166_100000182744 [0,1,0,1,0,0|2,0,0]=4 3046 B14R1.158 CCCCOC(=O)CN1CC=CCC1 2230a_100000698166_100000211628 [0,1,0,1,0,0|2,0,0]=4 3047 B14R1.158 CCCCOC(=O)CN1CC=CCC1 269982a_100000698166_100000211628 [0,1,0,1,0,0|2,0,0]=4 3048 B14R1.158 CCCCOC(=O)CN1CC=CCC1 34a_100000698166_100000211628 [0,1,0,1,0,0|2,0,0]=4 3049 B14R1.158 CCCOCC(=O)OC1CCCCC1 34a_100000210258_100000041653 [0,1,0,1,0,0|0,0,2]=4 3050 B14R1.158 CCCSCC(=O)OC1CCCCC1 62a_100000041653_100000210303 [0,1,0,1,0,0|0,0,2]=4 3051 B14R1.158 CCCSCC(=O)OC1CCCCC1 62a_100000210303_100000041653 [0,1,0,1,0,0|0,0,2]=4 3052 B14R1.1035 CC/C=C/CC(=O)C1CCCCC1=O 1458a_100016274230_100000204591 [0,1,0,1,0,0|1,0,1]=4 3053 B14R1.3444 CC/C=C/CC(=O)CC(=O)C1CCC1 1458a_100016274230_100000686122 [0,1,0,1,0,0|1,0,1]=4 3054 B14R1.467 CCCCC(CC)OC1CC=CCC1 34a_100000073881_200011216223 [0,1,0,1,0,0|1,0,1]=4 3055 B14R1.2352 CC/C=C\CCOC1CCCCCC1 34a_100000210887_100015370543 [0,1,0,1,0,0|1,0,1]=4 3056 B14R1.2352 CC/C=C\CCOC1CCCCCC1 34a_100016288707_100011217769 [0,1,0,1,0,0|1,0,1]=4 3057 B14R1.2352 CC/C=C\CCOC1CCCCCC1 7a_100000210887_100015370543 [0,1,0,1,0,0|1,0,1]=4 3058 B14R1.3452 CC/C=C\CCOC1CCN(C1=O)C 34a_100016288707_100000755940 [0,1,0,1,0,0|1,0,1]=4 3059 B14R1.3452 CC/C=C\CCOC1CCN(C1=O)C 7a_100016288707_100000755940 [0,1,0,1,0,0|1,0,1]=4 3060 B14R1.3454 CC/C=C\CCOC1CCN(C1)CC 7a_100016288707_200011861547 [0,1,0,1,0,0|1,0,1]=4 3061 B14R1.8096 C#CC1(CCCC1)OCC/C=C\CC 34a_100000189447_100015370543 [0,1,0,1,0,0|1,0,1]=4 3062 B14R1.8096 C#CC1(CCCC1)OCC/C=C\CC 7a_100000189447_100015370543 [0,1,0,1,0,0|1,0,1]=4 3063 B14R1.8096 CC/C=C\CCOC1(CCCC1)C#N 34a_100000744759_100015370543 [0,1,0,1,0,0|1,0,1]=4 3064 B14R1.8096 CC/C=C\CCOC1(CCCC1)C#N 7a_100000744759_100015370543 [0,1,0,1,0,0|1,0,1]=4 3065 B14R1.8096 CC/C=C\CCOC1(CCCC1)CC 7a_100000752416_100015370543 [0,1,0,1,0,0|1,0,1]=4 3066 B14R1.8096 CC/C=C\CCOC1(CCCC1)CN 34a_100000737848_100015370543 [0,1,0,1,0,0|1,0,1]=4 3067 B14R1.26 CC/C=C\CCOC1C=C(CCC1)C 34a_100011218613_100015370543 [0,1,0,1,0,0|1,0,1]=4 3068 B14R1.26 CC/C=C\CCOC1CCCC(C1)C 34a_100000211399_100015370543 [0,1,0,1,0,0|1,0,1]=4 3069 B14R1.26 CC/C=C\CCOC1CCOC(C1)C 34a_100011986385_100015370543 [0,1,0,1,0,0|1,0,1]=4 3070 B14R1.26 CC/C=C\CCOC1CCOC(C1)C 7a_100011986385_100015370543 [0,1,0,1,0,0|1,0,1]=4 3071 B14R1.7055 CCC(=O)CC(=O)C1CCC=CCC1 1458a_100000048548_100000747405 [0,1,0,1,0,0|1,0,1]=4 3072 B14R1.7055 CCC(C)CC(=O)C1CCC=CCC1 1458a_100000048548_100000748023 [0,1,0,1,0,0|1,0,0]=3 3073 B14R1.7055 CCC(C)NC(=O)C1CCC=CCC1 11a_100000209981_100000048548 [0,1,0,1,0,0|2,0,0]=4 3074 B14R1.7055 CCC(C)NC(=O)C1CCC=CCC1 1626a_100000209981_100000048548 [0,1,0,1,0,0|2,0,0]=4 3075 B14R1.7055 CCC(C)NC(=O)C1CCC=CCC1 240690a_100000209981_100000048548 [0,1,0,1,0,0|2,0,0]=4 3076 B14R1.7055 CCC(C)NC(=O)C1CCC=CCC1 527a_100000209981_100000048548 [0,1,0,1,0,0|2,0,0]=4 3077 B14R1.7055 CCC(O)CC(=O)C1CCC=CCC1 1458a_100000048548_100011218378 [0,1,0,1,0,0|1,0,0]=3 3078 B14R1.7055 CC[C@H](C)CC(=O)C1CCC=CCC1 1458a_100000048548_100009816398 [0,1,0,1,0,0|1,0,0]=3 3079 B14R1.7055 C[C@@H](CO)CC(=O)C1CCC=CCC1 1458a_100000048548_100000059175 [0,1,0,1,0,0|2,0,0]=4 3080 B14R1.169 CC/C=C\CCOC(C)C1CCCC1 34a_100011216366_100015370543 [0,1,0,1,0,0|1,0,1]=4 3081 B14R1.169 CC/C=C\CCOC(C)C1CCCC1 7a_100011216366_100015370543 [0,1,0,1,0,0|1,0,1]=4 3082 B14R1.169 CC/C=C\CNCC(=O)N1CCCC1 2230a_100000751844_100103147603 [0,1,0,1,0,0|2,0,0]=4 3083 B14R1.169 CC/C=C\COCC(=O)N1CCCC1 34a_100016268518_100000183516 [0,1,0,1,0,0|2,0,0]=4 3084 B14R1.169 CC/C=C\COCC(=O)N1CCCC1 7a_200000752455_100103147603 [0,1,0,1,0,0|2,0,0]=4 3085 B14R1.169 CC/C=C\CSCC(=O)N1CCCC1 62a_100000183516_100103147603 [0,1,0,1,0,0|2,0,0]=4 3086 B14R1.169 CC/C=C\CSCC(=O)N1CCCC1 62a_100103147603_100000183516 [0,1,0,1,0,0|2,0,0]=4 3087 B14R1.8094 CC/C=C\CCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100015370543 [0,1,0,1,0,0|1,0,1]=4 3088 B14R1.10397 CC(CCO)C(=O)C1CCC=CCC1 1458a_100000048548_100009893172 [0,1,0,1,0,0|2,0,0]=4 3089 B14R1.10397 CCCC(C)C(=O)C1CCC=CCC1 1458a_100000048548_100000766640 [0,1,0,1,0,0|1,0,0]=3 3090 B14R1.10397 CCCN(C)C(=O)C1CCC=CCC1 11a_100000747261_100000048548 [0,1,0,1,0,0|2,0,0]=4 3091 B14R1.10397 CCCN(C)C(=O)C1CCC=CCC1 1626a_100000747261_100000048548 [0,1,0,1,0,0|2,0,0]=4 3092 B14R1.10397 CCCN(C)C(=O)C1CCC=CCC1 240690a_100000747261_100000048548 [0,1,0,1,0,0|2,0,0]=4 3093 B14R1.10397 CCCN(C)C(=O)C1CCC=CCC1 527a_100000747261_100000048548 [0,1,0,1,0,0|2,0,0]=4 3094 B14R1.10397 COCC(C)C(=O)C1CCC=CCC1 1458a_100000048548_100000765312 [0,1,0,1,0,0|2,0,0]=4 3095 B14R1.138 CC/C=C\CNC1CCCCNC1=O 2230a_100000698827_100103147603 [0,1,0,1,0,0|2,0,0]=4 3096 B14R1.138 CC/C=C\CNC1CCCCNC1=O 34a_100000698827_100103147603 [0,1,0,1,0,0|2,0,0]=4 3097 B14R1.138 CC/C=C\CSC1CCCCCC1=O 62a_100000243696_100103147603 [0,1,0,1,0,0|2,0,0]=4 3098 B14R1.138 CC/C=C\CSC1CCCCCC1=O 62a_100103147603_100000243696 [0,1,0,1,0,0|2,0,0]=4 3099 B14R1.138 CC/C=C\CSC1CCCCNC1=O 62a_100000735217_100103147603 [0,1,0,1,0,0|2,0,0]=4 3100 B14R1.138 CC/C=C\CSC1CCCCNC1=O 62a_100103147603_100000735217 [0,1,0,1,0,0|2,0,0]=4 3101 B14R1.3001 C#CCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000731252 [0,1,0,1,0,0|1,0,1]=4 3102 B14R1.3001 C=CCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000757094 [0,1,0,1,0,0|1,0,1]=4 3103 B14R1.3001 CC/C=C\CC(=O)C1CCC=CCC1 1458a_100000048548_100103147603 [0,1,0,1,0,0|1,0,1]=4 3104 B14R1.3001 CCC#CCC(=O)C1CCC=CCC1 1458a_100000048548_100009813939 [0,1,0,1,0,0|1,0,1]=4 3105 B14R1.3001 CCCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210326 [0,1,0,1,0,0|1,0,0]=3 3106 B14R1.3001 CCCCNC(=O)C1CCC=CCC1 11a_100000102301_100000048548 [0,1,0,1,0,0|1,0,0]=3 3107 B14R1.3001 CCCCNC(=O)C1CCC=CCC1 1626a_100000102301_100000048548 [0,1,0,1,0,0|1,0,0]=3 3108 B14R1.3001 CCCCNC(=O)C1CCC=CCC1 240690a_100000102301_100000048548 [0,1,0,1,0,0|1,0,0]=3 3109 B14R1.3001 CCCCNC(=O)C1CCC=CCC1 527a_100000102301_100000048548 [0,1,0,1,0,0|1,0,0]=3 3110 B14R1.3001 CCCNNC(=O)C1CCC=CCC1 22a_100000740057_100000048548 [0,1,0,1,0,0|2,0,0]=4 3111 B14R1.3001 CCOCCC(=O)C1CCC=CCC1 1458a_100000048548_100011215890 [0,1,0,1,0,0|1,0,0]=3 3112 B14R1.3001 CCSCCC(=O)C1CCC=CCC1 1458a_100000048548_100000757381 [0,1,0,1,0,0|1,0,0]=3 3113 B14R1.3001 COCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000740836 [0,1,0,1,0,0|1,0,0]=3 3114 B14R1.3001 COCCNC(=O)C1CCC=CCC1 1626a_100000209980_100000048548 [0,1,0,1,0,0|2,0,0]=4 3115 B14R1.3001 COCCNC(=O)C1CCC=CCC1 240690a_100000209980_100000048548 [0,1,0,1,0,0|2,0,0]=4 3116 B14R1.3001 COCCNC(=O)C1CCC=CCC1 527a_100000209980_100000048548 [0,1,0,1,0,0|2,0,0]=4 3117 B14R1.3001 CSCCNC(=O)C1CCC=CCC1 11a_100020590264_100000048548 [0,1,0,1,0,0|2,0,0]=4 3118 B14R1.3001 CSCCNC(=O)C1CCC=CCC1 1626a_100020590264_100000048548 [0,1,0,1,0,0|2,0,0]=4 3119 B14R1.3001 CSCCNC(=O)C1CCC=CCC1 240690a_100020590264_100000048548 [0,1,0,1,0,0|2,0,0]=4 3120 B14R1.3001 CSCCNC(=O)C1CCC=CCC1 527a_100020590264_100000048548 [0,1,0,1,0,0|2,0,0]=4 3121 B14R1.3001 N#CCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000211468 [0,1,0,1,0,0|1,0,1]=4 3122 B14R1.3001 O=C(CCCCF)C1CCC=CCC1 1458a_100000048548_100000729493 [0,1,0,1,0,0|1,0,0]=3 3123 B14R1.3001 O=C(CCCCO)C1CCC=CCC1 1458a_100000048548_100000210776 [0,1,0,1,0,0|1,0,0]=3 3124 B14R1.3001 O=C(NCCCF)C1CCC=CCC1 11a_100015189416_100000048548 [0,1,0,1,0,0|2,0,0]=4 3125 B14R1.3001 O=C(NCCCF)C1CCC=CCC1 1626a_100015189416_100000048548 [0,1,0,1,0,0|2,0,0]=4 3126 B14R1.3001 O=C(NCCCF)C1CCC=CCC1 240690a_100015189416_100000048548 [0,1,0,1,0,0|2,0,0]=4 3127 B14R1.3001 O=C(NCCCF)C1CCC=CCC1 527a_100015189416_100000048548 [0,1,0,1,0,0|2,0,0]=4 3128 B14R1.3001 O=C(NCCCO)C1CCC=CCC1 240690a_100000182051_100000048548 [0,1,0,1,0,0|2,0,0]=4 3129 B14R1.3001 O=C(NCCCO)C1CCC=CCC1 527a_100000182051_100000048548 [0,1,0,1,0,0|2,0,0]=4 3130 B14R1.8088 CC/C=C\CCOC1(CCCCC1)C 34a_100011215885_100015370543 [0,1,0,1,0,0|1,0,1]=4 3131 B14R1.8088 CC/C=C\CCOC1(CCCCC1)C 7a_100011215885_100015370543 [0,1,0,1,0,0|1,0,1]=4 3132 B14R1.8088 CC/C=C\CCOC1(CCOCC1)C 34a_100011827762_100015370543 [0,1,0,1,0,0|1,0,1]=4 3133 B14R1.8088 CC/C=C\CCOC1(CCOCC1)C 7a_100011827762_100015370543 [0,1,0,1,0,0|1,0,1]=4 3134 B14R1.8088 CC/C=C\CCOC1(CCSCC1)C 34a_200011004327_100015370543 [0,1,0,1,0,0|1,0,1]=4 3135 B14R1.8088 CC/C=C\CCOC1(CCSCC1)C 7a_200011004327_100015370543 [0,1,0,1,0,0|1,0,1]=4 3136 B14R1.38 CC/C=C\CCC(=O)C1=CCCCC1 1458a_100000765259_100015370543 [0,1,0,1,0,0|2,0,0]=4 3137 B14R1.6798 CC/C=C\CCC(=O)C(=O)NC1CC1 1458a_100000756273_100015370543 [0,1,0,1,0,0|2,0,0]=4 3138 B14R2.13702 CC/C=C\CCOC1CCC2C1C2 34a_200012295571_100015370543 [0,0,0,2,0,0|1,0,1]=4 3139 B14R2.6 C1=CCC(CC1)OC2CCCCC2 34a_100000073881_100000210327 [0,0,0,2,0,0|1,0,1]=4 3140 B14R2.24 O=C1CCCCC1N2CC=CCC2 269982a_100000698166_100000204591 [0,0,0,2,0,0|2,0,0]=4 3141 B14R2.24 O=C1CCCCC1N2CC=CCC2 34a_100000698166_100000754470 [0,0,0,2,0,0|2,0,0]=4 3142 B14R2.9589 O=C(CN1CC=CCC1)C2CCC2 2230a_100000698166_100000686122 [0,0,0,2,0,0|2,0,0]=4 3143 B14R2.9589 O=C(CN1CC=CCC1)C2CCC2 269982a_100000698166_100000686122 [0,0,0,2,0,0|2,0,0]=4 3144 B14R2.9589 O=C(CN1CC=CCC1)C2CCC2 34a_100000698166_100000686122 [0,0,0,2,0,0|2,0,0]=4 3145 B14R2.2647 CCCCC(=O)C1CC2C=CC1C2 1458a_100000211946_100000210211 [0,0,0,2,0,0|1,0,0]=3 3146 B14R2.2647 CCCCC(=O)N1CC2C=CC1C2 11a_100000732668_100000210183 [0,0,0,2,0,0|1,0,0]=3 3147 B14R2.2647 CCCCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000210183 [0,0,0,2,0,0|1,0,0]=3 3148 B14R2.2647 CCCCC(=O)N1CC2C=CC1C2 527a_100000732668_100000210183 [0,0,0,2,0,0|1,0,0]=3 3149 B14R2.2647 CCCNC(=O)C1CC2C=CC1C2 11a_100020643023_100000211946 [0,0,0,2,0,0|2,0,0]=4 3150 B14R2.2647 CCCNC(=O)C1CC2C=CC1C2 1626a_100020643023_100000211946 [0,0,0,2,0,0|2,0,0]=4 3151 B14R2.2647 CCCNC(=O)C1CC2C=CC1C2 240690a_100020643023_100000211946 [0,0,0,2,0,0|2,0,0]=4 3152 B14R2.2647 CCCNC(=O)C1CC2C=CC1C2 527a_100020643023_100000211946 [0,0,0,2,0,0|2,0,0]=4 3153 B14R2.2647 CCCNC(=O)N1CC2C=CC1C2 2708a_100020643023_100000732668 [0,0,0,2,0,0|2,0,0]=4 3154 B14R2.2647 CCCNC(=O)N1CC2C=CC1C2 273464a_100020643023_100000732668 [0,0,0,2,0,0|2,0,0]=4 3155 B14R2.2647 CCOCC(=O)N1CC2C=CC1C2 11a_100000732668_100000211967 [0,0,0,2,0,0|2,0,0]=4 3156 B14R2.2647 CCOCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000211967 [0,0,0,2,0,0|2,0,0]=4 3157 B14R2.2647 CCOCC(=O)N1CC2C=CC1C2 527a_100000732668_100000211967 [0,0,0,2,0,0|2,0,0]=4 3158 B14R2.2647 CCSCC(=O)N1CC2C=CC1C2 11a_100000732668_100000230394 [0,0,0,2,0,0|2,0,0]=4 3159 B14R2.2647 CCSCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000230394 [0,0,0,2,0,0|2,0,0]=4 3160 B14R2.2647 CCSCC(=O)N1CC2C=CC1C2 527a_100000732668_100000230394 [0,0,0,2,0,0|2,0,0]=4 3161 B14R2.2647 COCCC(=O)C1CC2C=CC1C2 1458a_100000211946_100000233755 [0,0,0,2,0,0|2,0,0]=4 3162 B14R2.2647 COCCC(=O)N1CC2C=CC1C2 11a_100000732668_100000749529 [0,0,0,2,0,0|2,0,0]=4 3163 B14R2.2647 COCCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000749529 [0,0,0,2,0,0|2,0,0]=4 3164 B14R2.2647 COCCC(=O)N1CC2C=CC1C2 527a_100000732668_100000749529 [0,0,0,2,0,0|2,0,0]=4 3165 B14R2.2647 CSCCC(=O)C1CC2C=CC1C2 1458a_100000211946_100000751147 [0,0,0,2,0,0|2,0,0]=4 3166 B14R2.2647 CSCCC(=O)N1CC2C=CC1C2 11a_100000732668_100000174002 [0,0,0,2,0,0|2,0,0]=4 3167 B14R2.2647 CSCCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000174002 [0,0,0,2,0,0|2,0,0]=4 3168 B14R2.2647 CSCCC(=O)N1CC2C=CC1C2 527a_100000732668_100000174002 [0,0,0,2,0,0|2,0,0]=4 3169 B14R2.2647 O=C(CCCF)C1CC2C=CC1C2 1458a_100000211946_100011934791 [0,0,0,2,0,0|2,0,0]=4 3170 B14R2.2647 O=C(CCCO)C1CC2C=CC1C2 1458a_100000211946_100011215043 [0,0,0,2,0,0|2,0,0]=4 3171 B14R2.12769 O=C(C1CCC=CCC1)C2CCC2 1458a_100000048548_100000749161 [0,0,0,2,0,0|1,0,0]=3 3172 B14R2.12769 O=C(C1CCC=CCC1)C2COC2 1458a_100000048548_100000687716 [0,0,0,2,0,0|2,0,0]=4 3173 B14R2.12769 O=C(C1CCC=CCC1)N2CCC2 11a_100000754969_100000048548 [0,0,0,2,0,0|2,0,0]=4 3174 B14R2.12769 O=C(C1CCC=CCC1)N2CCC2 240690a_100000754969_100000048548 [0,0,0,2,0,0|2,0,0]=4 3175 B14R2.12769 O=C(C1CCC=CCC1)N2CCC2 527a_100000754969_100000048548 [0,0,0,2,0,0|2,0,0]=4 3176 B14R2.46041 O=C(CC1CC1)C2CCC=CCC2 1458a_100000048548_100000742324 [0,0,0,2,0,0|1,0,0]=3 3177 B14R2.46041 O=C(CC1CO1)C2CCC=CCC2 1458a_100000048548_100011216344 [0,0,0,2,0,0|2,0,0]=4 3178 B14R2.46041 O=C(CC1CS1)C2CCC=CCC2 1458a_100000048548_100000031435 [0,0,0,2,0,0|2,0,0]=4 3179 B14R2.46041 O=C(C[C@@H]1CO1)C2CCC=CCC2 1458a_100000048548_100000745022 [0,0,0,2,0,0|2,0,0]=4 3180 B14R2.46041 O=C(NC1CC1)C2CCC=CCC2 1626a_100000212008_100000048548 [0,0,0,2,0,0|2,0,0]=4 3181 B14R2.46041 O=C(NC1CC1)C2CCC=CCC2 240690a_100000212008_100000048548 [0,0,0,2,0,0|2,0,0]=4 3182 B14R2.46041 O=C(NC1CC1)C2CCC=CCC2 527a_100000212008_100000048548 [0,0,0,2,0,0|2,0,0]=4